General information SACADA Check your allotrope

SACADA — Samara Carbon Allotrope Database

  Entries per page First Page Previous Page Next Page Last Page Displaying Page of     Total number of allotropes:   Last update: 25.12.2021

#

Topology

# IN

Space group

Pearson

Density,
g/cm³

Gap,
eV

Relative energy, eV/atom

00011dia1Fd-3mcF83.5350.000
00022dia1R-3mhR122.7611.034
00033dia1Fd-3mcF400.9001.009
00044dia1Pn-3mP121.7791.049
00055srs1I4132cI82.2901.173
00066pcu1Pm-3mcP1HPP
00077bcu1Im-3mcl2HPP
00088nbo1Im-3mcI63.3653.096
00099fcu1Fm-3mcF4HPP
001010sod1Im-3mcI122.8730.390
001111qtz1P6222hP33.6641.110
001212lcv1I4132cI122.1021.401
001313lcs1Ia-3dcI243.4890.889
001414lcy1--3.641HPP
001515ths1I41/amdtI82.8910.490
001616ths1C2/cmS161.5770.622
001717ths1I41/amdtI122.5140.936
001818ths1C2/cmS161.8200.581
001919ths3I41/amdtI320.5590.851
002020gsi1Ia-3cI163.6270.717
002121bsn1I41/amdtl4CT
002222bto1P6222hP63.1120.813
002323eta1P6222hP62.3710.626
002424etb1R-3mhR182.2700.410
002525lig1I41/amdtI162.3720.360
002626pcu-h1R-3mhR182.5860.363
002727pcu-h2R-3mhR361.7190.535
002828pcu-h3R-3mhR541.1970.647
002929unj1P6122hP63.2240.097
003030neb1FdddoF163.5540.144
003131afw1R32hR93.1570.923
003232utb1I432cI242.2403.230
003333dia-a1Fd-3mcF321.5061.212
003434dia-a1Fd-3mcF640.5241.154
003535dia-a1Pn-3mcP81.7001.422
003636dia-a1Pn-3mP161.0251.140
003737lon1P63/mmchP43.5140.021
003838lon1P-6m2hP63.0110.754
003939pcb1Im-3mcI162.8780.736
004040pcb1Im-3mcI321.3220.848
004141pcb1Im-3mcI480.7660.869
004242pcb1Im-3mcI800.7281.039
004343pcb1Im-3mcI960.4771.044
004444pcb1Im-3mcI1280.4310.995
004545pcb1Im-3mcI1440.3070.991
004646pbz1Pn-3mcP242.1340.096
004747pbz1P-43mcP481.0430.648
004848pbz1P6/mmmcP481.0320.504
004949pbz1F-43mcF2881.4410.476
005050pbz1Pn-3mcP720.6040.627
005151uoc1I4122tI83.1611.630
005252gis1I41/amdtI162.6660.711
005353pbg1Ia-3dcI962.1850.319
005454pbp1Im-3mcI482.0150.318
005555uta1Fd-3mcF962.1330.523
005656uni1P6122hP63.5410.748
005757unc1P4122tP43.4041.097
005858npo1P63/mmchP60.279
005959cbo1Pa-3cP243.1270.911
006060crb1I4/mmmtI83.3410.193
006161crb1I4/mmmtI241.6861.021
006262crb1I4/mmmtI241.8940.852
006363crb1I4/mmmtI400.8751.026
006464hcp1P63/mmchP2HPP
006565rho1Im-3mcI482.2760.902
0066664/5/t11I41/atI163.6490.942
006767sra1ImmaoI83.0440.362
006868mmt1PccnoP83.6421.263
006969und1I41/acdtI163.4291.718
007070unb1R-3mhR183.3230.565
007171sod-a1Im-3mcI481.2631.257
007272utc1I4132cI482.3491.132
007373mon1I41/amdtI162.9500.454
007474can1P63/mmchP122.9110.399
007575atn1I4/mmmtI162.9520.475
007676tzs1I4/mcmtI163.1460.304
007777lta1Pm-3mcP242.3310.694
007878hal1Fm-3mcF962.2760.582
007979acs-a1P63/mmchP122.2220.782
008080dft1P42/mmctP82.9020.598
008181cag1CmcmoS163.3390.196
008282pcl1CmcmoS163.0340.397
008383umq1I4/mcmtI323.0050.477
008484umk1P63/mcmhP242.6530.599
008585kfi1Im-3mcI962.4320.809
008686fau1Fd-3mcF1922.0390.915
008787mer1I4/mmmtI322.6350.812
008888ato1R-3mhR363.0370.528
008989afi1P6/mcchP242.8190.397
009090twt1P6222hP63.3681.426
009191baa2I-42dtI123.4101.075
009292ast2Fm-3mcF402.6840.581
009393xaa2Fm-3mcF802.1100.803
009494dmd2P42/mmctP62.2840.555
009595tfi2P42/mmctP62.9930.447
009696mog2CmmmoS63.3591.603
00979742T1112I-42dtI123.6731.131
009898tfg2Pm-3mcP202.8400.613
009999bik-3,4-Cmcm2CmcmoS122.6640.183
0100100kea2P43212tP123.5680.878
0101101tfh2Im-3cI402.4430.577
0102102isq2P42/mnmtP123.0800.206
0103103bbe-3,3-Imma2ImmaoI162.5810.256
0104104bcp-3,3,-I-4m22I-4m2tI122.2631.069
0105105jeb2CmmmoS83.0880.320
0106106tna2R32hR181.7301.030
0107107cdp2P42/ncmtP123.3720.097
0108108clh2P42/mmctP82.9430.414
0109109fsd-3,4-I4/mcm2I4/mcmtl242.5790.117
0110110law2Im-3cI72CT
0111111cfc2P63/mmchP83.5290.011
0112112cfc2P63/mmchP123.0110.735
0113113xci2P6/mmmhP102.3850.448
0114114sqc3262ImmmoI122.3440.415
0115115dgn2P432cP322.4761.593
0116116etk2Fm-3ccF2562.2080.471
0117117thj2I212121oI83.4111.554
0118118bba-3,4-P6/mmm2P6/mmmhP121.6710.267
0119119mjb2P4/mmmtP82.3400.226
0120120ggl2R-3chR541.8140.683
0121121sdt2Im-3mcI603.2340.338
012212242T632R-3hR243.6570.877
0123123xcb2P63/mmchP161.8540.207
0124124bik2CmcmoS123.3010.273
0125125sqc14272CmmmoS16CT
0126126sqc30512P42/mmctP121.8540.401
0127127xca2ImmmoI123.2530.247
0128128lon-a2P63/mmchP161.5041.216
0129129los-3,4-P6/mmm2P6/mmmhP122.8670.287
0130130fsg-3,4-Cmmm-22CmmmoS162.7950.362
0131131lib-3,4-P42/mmc2P42/mmctP122.5220.292
01321323,4T1572P6/mmmhP242.6470.376
0133133sqc69522P4/mmmtP162.6930.467
0134134cbs-3,4-Pnma2CmcmoS163.0510.231
013513542T1092C2mS82.9311.298
01361363,4T2262CmcmoS243.1980.280
0137137stc-4,4-P2/c2P2/cmP8HPP, 
01381383,4T902I2/mmS123.1540.294
01391393,4T862P42/mmctP242.2920.271
01401403,4T2272CmcmoS243.1580.299
0141141sie2CmmmoS163.4260.127
0142142byl2ImmaoI243.3910.191
0143143atv2CmmmoS243.2760.251
014414442T1102CmcmoS323.4260.126
014514542T2572P6/mcchP482.8850.551
014614642T1132CccmoS323.2700.307
014714742T1122A2/nmS123.4480.330
01481483,4T1792P63/mcmhP242.7680.147
0149149aht-3,4-Cmcm2CmcmoS242.4290.178
0150150cbs-3,4-C2m2C2/mmS163.0510.277
01511513.42T1373Fm-3cF882.6540.561
0152152mof3Fm-3mcF881.6181.410
015315343T823I-4m2tI123.0501.014
015415433T383P6/mmmhP141.3100.255
015515532.4T963ImmaoI201.9520.022
0156156kgz3Fd-3cF2241.3330.583
015715733T53CmmmoS122.4220.571
0158158mtn3Fd-3mcF1363.0580.066
0159159mep3Pm-3ncP463.0760.108
016016032,4T2053ImmmoI162.0990.180
0161161kgo3Fd-3cF2241.9550.341
01621623.42T1363CmmmoS122.9730.230
0163163alb-x-d3P6/mmmhP162.8020.344
016416443T1643P213cP203.3220.584
01651653,42T2233P6/mmmhP183.1650.339
0166166kgl3P432cP56CT
0167167kgn3P432cP561.7910.340
016816832,4T2013Fd-3mcF3200.9710.419
016916932,4T2013Pn-3mcP801.8910.438
017017032,4T2013???-0.4920.634
017117132,4T2163I41/amdtI642.5850.271
017217243T1403Pm-3cP282.9940.448
0173173mct3Im-3mcI1921.1610.052
017417443T833C2mS82.9620.792
017517543T843C2221oS163.5050.305
0176176pbz-m3Pn-3mcP961.1970.086
01771773,42T2423P4/mbmtP202.9010.494
0178178bpw3Fd-3ccF576CT
0179179NSI3C2/mmS123.2900.217
018018032.4T1923Fm-3cF2403.0870.795
0181181cas3CmcmoS243.2290.228
018218243T1303P41212tP203.5440.268
01831833.42T2093CmmmoS203.3730.189
018418432.4T1913CmcmoS242.9490.179
0185185csi3Im-3cI1202.6880.565
018618643T853C2/mmS163.3710.196
0187187csp3Pm-3ncP1202.6920.676
018818843T873CmcmoS243.4110.164
018918943T1293ImmmoI243.4720.107
019019032.4T973P21/mmP122.2480.334
01911913.42T1353PmmaoP202.6280.351
01921923.42T1343CmmmoS402.5990.384
019319343T1393Pm-3mcP962.6370.691
019419443T1373PmmmoP163.3740.758
01951953,42T2433P4/mcctP482.4750.326
019619632,4T2023Fd-3mcF2241.1190.556
019719732,4T2023Pn-3mcP562.1230.587
019819832,4T2033P63/mcmhP362.2490.042
019919932,4T2043P63/mcmhP362.1260.230
020020032,4T2063P3212hP182.4340.182
020120132,4T2073R-3mhR542.3860.270
020220243T1383P6322hP362.9630.648
020320332.42T2024F23cF842.4940.819
0204204ajk34I-43mcl463.2620.275
020520533.4T794P42/mmctP142.9450.330
020620632.42T2014P-6m2hP103.0980.672
020720733.4T274CmcmoS281.5430.035*
020820834T144P42/mmctP16CT
0209209SiC124R-3mhR243.5310.011
02102103,43T724CmmmoS163.3120.182
0211211cla4I-43mcI823.0260.175
0212212ton4CmcmoS243.1060.332
0213213znp4CmcmoS243.4190.100
021421444T754P2221oP103.3270.197
021521533,4T964CmmmoS242.4840.505
021621634T133Ia-3dcI3841.2400.075
0217217ajk44I-43mcl1562.7960.401
0218218cnw4PnmaoP163.3750.151
02192193,43T714C2/mmS162.8980.216
0220220doh4P6/mmmhP343.0270.158
022122144T334PbamoP163.3650.144
022222244T324ImmaoI243.4080.150
022322333.4T804ImmmoI282.8980.170
0224224cbn4C2/mmS163.3730.171
022522544T354P2/mmP83.3670.176
0226226fer4Immmol362.9670.528
022722734T154Pm-3mcP1681.1200.140
02282283.43T554ImmmoI402.8660.552
022922944T1054P-421ctP323.5710.811
023023044T364PmmnoP163.4340.129
023123144T384CmmmoS323.4770.083
023223244T1064P43212tP323.5690.812
0233233MRE4ImmaoI483.1620.231
023423444T374C2/mmS323.3120.222
023523535T65Fd-3mcF5121.1930.230
023623635T25Imm2oI122.2210.702
023723735T105P6/mmmhP301.6870.073
023823845T155I-4tI283.2890.151
023923935T95Pm-3mcP1521.3090.381
024024045T295R32hR453.3500.152
024124135T55Pm-3mcP1521.2020.216
0242242zra-d5P6/mmmhP403.0440.120
024324345T115PmmnoP163.3890.178
024424445T125C2/cmS323.3630.176
024524545T135P21/mmP103.3570.200
024624645T275C2/mmS203.3820.178
024724745T145I2/mmS203.4300.168
024824832,43T645P-1aP103.0080.456
024924934.4T485P2/mmP201.7860.152
025025045T285PmmaoP363.5530.321
025125135.4T66CmmmoS321.2880.069
025225232,44T336PmmaoP123.2470.221
0253253kgk3F432cF448CT
025425436T66Pm-3mcP1761.1370.093
0255255ajk96P4132cP1002.5350.646
025625646T156Pmn21oP123.4380.118
025725746T186PnmaoP24-II3.5050.176
025825836T46Pm-3mcP2000.9600.225
025925946T66Amm2oS203.3310.179
026026046T166PmmaoP203.5160.104
026126132,44T366I2/mmS243.1490.237
026226246T76C2/mmS243.4400.109
026326336T56Pm-3mcP2161.0260.069
026426446T176PbamoP24-I3.4990.144
026526546T86C2/mmS323.4440.130
026626633.43T286P2/mmP202.3490.765
026726746T96Fd-3mcF7122.9410.326
026826846T136PmmnoP243.4630.097
026926946T146PmmaoP243.4630.100
027027032.44T96PccmoP482.8000.306
027127134,42T386CmcmoS722.2100.105
027227247T147CmcmoS403.4450.079
0273273mtt7PmmnoP243.0920.322
027427447T37P2221oP183.4030.117
027527547T157ImmaoI403.4480.077
027627637T17Fd-3cF6721.2710.112
0277277mgz-x-d7P63/mmchP683.1420.179
027827847T127PnmaoP283.4280.094
027927947T47ImmmoI562.9610.217
028028047T97P21/mmP143.4060.132
028128147T87C2/mmS283.4500.146
028228247T77I2/mmS283.4150.111
028328347T117P21/cmP283.1760.666
028428447T107C2/mmS403.4630.114
028528536.4T47P21/mmP281.3740.087
028628636.4T107P6/mmmhP520.8110.022*
028728732.46T128PmmaoP163.3580.127
02882883.47T18CmmmoS323.4410.108
028928936,4T123P63/mmchP1121.1150.631
029029036,4T123???-0.4930.634
029129148T168C2/mmS323.4980.108
029229248T148C2/mmS323.4520.099
029329348T58P2/mmP163.4520.102
029429448T158P2/mmP163.4800.101
029529548T138P2/mmP163.4320.102
029629648T128P2/mmP163.4240.190
029729748T68P-3m1hP582.9590.244
029829848T198P21/cmP323.5650.853
029929948T208C2mS323.5760.787
0300300ajk29Fd-3mcF6803.3460.189
0301301ajk19Pm-3ncP2303.4140.288
030230249T49P21/mmP183.4320.080
030330337,42T33P63/mmchP1600.9660.422
030430449T59C2/mmS363.4400.091
030530549T39CmcmoS923.0320.156
030630637.42T19ImmmoI120CT
030730736.43T59ImmmoI1202.5150.427
030830834.45T49ImmmoI120CT
030930936.44T110P2/mmP202.1330.054
0310310410T910CmcmoS563.4680.060
0311311310T110Im-3mcI720CT
0312312410T810Pmn21oP203.4710.089
0313313kgs10I432cI448CT
0314314kgt10I432cI448CT
031531536.44T610R-3hR1802.3870.437
0316316410T510P42/nmctP1062.9600.336
0317317jcc3310ImmS323.2920.186
03183183.49T210P-1aP202.9220.903
0319319410T610P-1aP203.3200.765
032032039.4T110CmmmoS560.7970.050
0321321411T811C2/mmS443.4570.083
0322322nas-d11Pa-3cP2323.0220.206
0323323411T911P-1aP223.5030.123
0324324412T112Pmc21oP243.3900.196
03253253.411T212C2/mmS483.4710.130
0326326412T312C2/mmS483.4820.092
0327327412T212P2/mmP243.4070.122
0328328412T512P2/mmP243.4670.165
0329329412T412P2/mmP243.4730.079
0330330413T313CmcmoS723.4790.048
0331331413T413ImmaoI723.4790.048
0332332ajk1013P63/mmchP1363.0500.064
0333333mur13R-3mhR2223.0450.094
0334334414T114PmmP143.4120.115
0335335ajk1114P6/mmmhP1703.1820.279
0336336416T316PmmP163.4530.110
0337337416T216CmmS323.4560.105
0338338416T416P2/mmP323.4740.053
0339339416T514ImmaoI883.4870.042
0340340316T116I-43mcI7441.0750.155
0341341ajk517P6/mmmhP2003.3630.267
0342342sig17P42/mnmtP1723.1090.141
0343343418T218CmmS363.4380.100
0344344ajk1319Fd-3mcF19043.4000.196
0345345ajk619P63/mmchP2043.0790.089
0346346420T120CmmS403.3790.183
0347347420T220PmmP203.4690.094
0348348420T314P2/mmP403.4830.045
0349349ajk1220Pm-3ncP6443.3800.273
0350350422T122PmmP223.4580.078
0351351424T124PmmP243.4840.100
0352352ajk725P63/mmchP2723.0680.082
0353353tei27Im-3cl9203.0970.206
0354354tep28Pm-3ncP9203.0730.342
0355355ajk831P63/mmchP3403.0680.081
0356356ajk1440P6/mmmhP5603.3930.253
035735743T1433I-42dtI243.2080.171
035835846T286Imm2oI203.3550.133
035935946T296C2mS243.5070.253
036036047T217P-1aP143.4540.296
036136147T227P21/mmP143.3990.097
036236248T218P1aP83.2450.422
0363363414T214CmmS283.3950.109
036436444T1094P-1aP83.4850.445
036536545T495P21/mmP103.3590.120
036636643T1703ImmaoI203.3210.224
036736744T1104C2221oS243.4190.279
0368368noq2C2/cmS123.1640.521
036936944T1114I212121oI203.3890.272
0370370bcq2FmmmoF243.2720.329
037137145T505P-1aP103.2400.403
037237243T1713C2/cmS203.4440.386
037337346T306P-1aP123.4520.204
037437443T1723I222oI143.1360.580
0375375jbw2PmmaoP63.2040.349
037637646T316P-1aP123.2180.427
037737748T228I2mS283.4170.279
037837843T1733Ima2oI243.2160.280
037937944T864I2/amS283.4040.195
038038042T102C2/cmS163.1360.362
038138147T237P-1aP143.3600.340
038238246T326P21mP123.4980.253
038338346T336P21mP123.2470.385
038438447T247C2mS283.4760.340
038538548T238C2mS283.3820.324
038638644T1124I2mS163.4650.444
038738742T2612CmcmoS323.2580.312
038838849T69C2mS323.2570.346
038938945T515C2221oS323.3430.230
039039048T248C2mS323.5060.186
039139142T1932I41/atI323.3760.261
0392392416T816P1aP163.5070.189
039339344T1134Fdd2oF643.4440.510
039439448T258P-1aP163.3560.310
039539545T525C2221oS323.4920.268
039639648T268P21mP163.4180.364
039739743T1443ImmmoI323.3190.249
039839848T278P-1aP163.4150.240
039939945T535I2/amS323.4640.294
040040048T288C2mS323.3120.290
040140148T298P21mP163.5090.205
040240245T545CmmmoS323.3460.244
040340347T257C2/mmS283.3960.113
040440448T308Imm2oI283.4140.165
040540543T1743I-42dtI283.3810.409
040640642T2622CmcmoS243.2110.309
040740743T1753CmmmoS203.2660.346
040840842T2632CccmoS203.2310.814
040940945T555C2/mmS243.1870.590
041041044T1144C2/mmS243.2590.413
041141144T1154PmmnoP123.2460.236
041241244T1164C2/mmS163.2900.296
041341343T1763FmmmoF283.3020.816
041441445T565P-1aP103.4640.274
041541543T1773C2mS103.2830.955
041641642T2642FdddoF403.3620.488
041741744T1174P21/cmP163.4800.332
0418418416T916P1aP163.3500.347
041941948T318P21mP163.3930.350
042042044T854P21/cmP163.3850.186
0421421416T1016P1aP163.3720.326
042242248T328P-1aP163.3780.471
042342345T575C2221oS323.3880.320
042442448T338P-1aP163.3850.397
042542549T79C2mS323.3750.229
042642648T348P-1aP163.4270.427
042742748T358P-1aP163.2780.580
042842845T585C2/mmS323.3650.181
0429429416T1116P1aP163.3770.378
043043048T368I2mS323.2560.417
043143149T89C2mS323.3570.398
043243248T378P-1aP163.2560.346
043343349T99I2mS323.3520.459
043443448T388P21mP163.3750.316
043543548T398C2/mmS323.3720.189
0436436416T1216P1aP163.3960.334
043743744T1184C2/mmS243.4470.360
043843843T33CmmmoS103.3781.013
043943946T346P-1aP123.3400.569
044044043T1783Cmm2oS162.9920.507
044144143T1793C2/mmS163.1320.371
044244242T2652C2/cmS163.3730.469
044344346T356P-1aP123.2350.285
044444446T366P21mP123.2960.574
044544546T376P-1aP123.3530.213
044644646T386P21mP123.1840.424
0447447cfe3R-3mhR183.5220.010
0448448nbo-x-d-4,4-C2/m-22I2/mmS103.1701.401
0449449414T314P1aP143.4050.300
0450450410T1110P1aP103.2640.201
0451451mbc-4,4-Imma2ImmaoI163.2830.277
045245246T396C2/mmS323.4480.299
0453453416T1316P1aP163.2630.463
0454454416T1416P1aP163.3600.393
0455455416T1516P1aP163.3860.273
045645648T408P-1aP163.3660.252
045745742T2662ImmaoI323.1750.364
0458458416T1616CmmS323.3940.206
0459459416T1716P1aP163.3710.417
046046045T595P2/cmP163.3580.345
0461461416T1816ImmS323.3540.227
0462462416T1916ImmS323.3920.141
0463463416T2016P1aP163.3180.215
0464464416T2116P1aP163.2650.360
046546548T418P-1aP163.4700.155
046646648T428CcmS323.3950.396
046746743T1803FmmmoF643.2290.425
046846848T438AnmS323.3710.313
0469469416T2216P1aP163.3180.261
047047048T448P21mP163.5070.186
047147145T605Amm2oS323.2660.335
047247248T458P-1aP163.3180.233
047347344T1194P2/cmP143.2280.681
047447446T406CcmS243.3520.311
047547547T267C2mS243.3280.494
047647643T1813C2/cmS243.3000.411
0477477412T612P1aP123.3030.557
047847847T277C2mS243.3200.446
047947943T1823C2/cmS243.1770.350
0480480412T712P1aP123.2280.903
048148143T1833C2/cmS203.1490.600
048248243T1843CmmmoS203.3560.479
048348346T416C2mS203.2510.622
048448448T468C2mS283.3760.486
048548543T1853C2221oS203.4760.429
048648647T287C2mS243.3140.609
048748746T426C2mS243.2580.582
048848846T436P2mP123.4660.377
048948946T446C2mS203.3090.546
049049044T1204CmmmoS203.2591.116
049149143T1863C222oS143.5350.705
0492492416T2316P1aP163.3190.248
049349348T478P21/mmP163.3440.246
049449448T178P-1aP163.2580.167
049549544T1214P2/m1mP163.1270.349
049649644T1224P2/m1mP163.3780.326
049749744T1234C2/cmS323.4070.437
049849848T488C2mS323.3450.223
049949947T297P21mP143.2410.496
050050047T307P21/mmP143.4160.151
0501501414T414P1aP143.2640.475
050250247T317P-1aP143.3430.491
0503503414T514P1aP143.4220.462
050450443T1873C2/cmS243.3020.391
050550543T1413FmmmoF483.2250.161
050650643T1883Ama2oS243.1100.333
050750746T456CmmS243.1700.378
050850846T466CcmS243.2780.687
050950945T615P-1aP103.1970.534
051051045T625AnmS203.2930.994
051151148T498I2/mmS323.4390.093
051251243T913PnmaoP123.2850.290
051351343T1893P21/mmP123.2160.281
051451444T1244CmcmoS243.2290.292
051551544T1254P2/m1mP163.4090.206
051651646T476PmmP123.1610.377
051751742T2672IbamoI323.3460.221
051851843T1903PmmaoP103.3340.228
051951943T1913C2/mmS243.3310.409
052052046T486C2221oS323.2900.162
052152146T496P-1aP123.2440.598
052252246T506P-1aP123.3350.879
05235234,4T2852PbcnoP163.4490.475
05245244,4T2862P2/mmP83.4460.535
05255253,42T7-CA3Pm-3cP302.541.2005
Abbreviations:

◈ — Only topology was proposed;
CT — Change topology after optimization;
HPP — High-pressure phase.


© 2016 – 2023 SCTMS  Team References support@sacada.info Cite this: Angew. Chem. Int. Ed. 2016, 55, 10962–10976