pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | ids stringlengths 4 18 | space_group stringclasses 179
values | chemical_system stringlengths 1 19 | energy_above_hull float64 0 0.1 | dft_band_gap float64 0 9.72 ⌀ | dft_bulk_modulus float64 0.54 401 ⌀ | dft_mag_density float64 -0.18 0.24 ⌀ | hhi_score float64 0 9.1k | ml_bulk_modulus float64 1.09 399 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
-2.53542598,
1.4638288720633708,
-4.5531141075
],
[
-2.5354259800000003,
-1.463828872063371,
-1.5177047025000001
],
[
0,
0,
0
],
[
0,
0,
-3.035409405
],
[
-2.5354259800000003,
-1.463828872063371,
-4.5531141075
],
[
-2.53542598,
... | [
[
-2.5354259800000003,
-4.391486616190112,
-6.210002621764082e-16
],
[
-2.5354259799999994,
4.391486616190112,
3.105001310882041e-16
],
[
0,
0,
-6.07081881
]
] | [
68,
68,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003606313> | P6_3/mmc | Au-Cd-Er | 0 | null | null | -0 | 1,807.674495 | 66.997154 |
[
[
0.9907959375,
0.4691097034872226,
2.897566927578423
],
[
2.9723878125,
3.356511031512778,
7.420178742578423
],
[
2.9723878124999996,
7.182131766512778,
6.147656702421579
],
[
0.9907959374999997,
4.294730438487223,
1.6250448874215782
],
[
2.972387... | [
[
3.96318375,
0,
2.426750146935152e-16
],
[
-4.685034187869496e-16,
7.65124147,
4.685034187869496e-16
],
[
0,
0,
9.04522363
]
] | [
68,
68,
68,
68,
48,
48,
48,
48,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002331976> | Pnma | Au-Cd-Er | 0.02509 | null | null | 0.000001 | 1,807.674495 | 68.645111 |
[
[
-2.220446049250313e-16,
3.1520128805386967,
7.935003187853339e-16
],
[
0,
9.456038641616091,
3.3306690738754696e-16
],
[
0,
0,
0
],
[
3.299301102271955e-16,
6.304025761077394,
-5.077724618551826e-16
]
] | [
[
1.4858731214775045,
4.202683840718263,
2.5736077400000004
],
[
1.4858731214775045,
4.202683840718263,
-2.5736077399999995
],
[
-2.9717462429550086,
4.202683840718263,
0
]
] | [
68,
68,
48,
79
] | [
1,
1,
1
] | alex<agm001088471> | Fm-3m | Au-Cd-Er | 0.03883 | null | null | -0.000172 | 2,143.370347 | 57.523129 |
[
[
0,
0,
5.646416730359091
],
[
0,
0,
1.7041267796409083
],
[
1.81020893,
1.81020893,
3.675271755
],
[
1.81020893,
1.81020893,
2.216866571912455e-16
]
] | [
[
3.62041786,
0,
2.216866571912455e-16
],
[
-2.216866571912455e-16,
3.62041786,
2.216866571912455e-16
],
[
0,
0,
7.35054351
]
] | [
68,
68,
48,
79
] | [
1,
1,
1
] | alex<agm001125360> | P4/mmm | Au-Cd-Er | 0.008857 | null | null | 0.000001 | 2,143.370347 | 66.213669 |
[
[
0,
0,
5.50198703
],
[
-1.3607534718822115e-16,
2.222279065,
1.7527074862897698
],
[
-1.3607534718822115e-16,
2.222279065,
9.251266573710229
],
[
2.222279065,
0,
9.251266573710229
],
[
2.222279065,
0,
1.7527074862897698
],
[
0,
... | [
[
4.44455813,
0,
2.721506943764423e-16
],
[
-2.721506943764423e-16,
4.44455813,
2.721506943764423e-16
],
[
0,
0,
11.00397406
]
] | [
19,
30,
30,
30,
30,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002218094> | P4/mmm | K-Sb-Zn | 0.023343 | null | null | -0.000024 | 3,033.820986 | 31.375065 |
[
[
-1.5707622609168873e-16,
2.565249445,
1.5707622609168873e-16
],
[
0,
0,
2.565249445
],
[
1.820048835,
0,
1.1144584900373095e-16
],
[
1.8200488349999997,
2.565249445,
2.5652494450000005
]
] | [
[
3.64009767,
0,
2.228916980074619e-16
],
[
-3.1415245218337745e-16,
5.13049889,
3.1415245218337745e-16
],
[
0,
0,
5.13049889
]
] | [
68,
68,
48,
79
] | [
1,
1,
1
] | alex<agm001200765> | P4/mmm | Au-Cd-Er | 0.031598 | null | null | -0 | 2,143.370347 | 60.888683 |
[
[
0,
0,
0
],
[
0,
0,
7.438596697381263
],
[
0,
0,
3.485643382618738
],
[
1.80285403,
1.80285403,
5.46212004
],
[
1.80285403,
1.80285403,
9.099610250488338
],
[
1.80285403,
1.80285403,
1.8246298295116636
]
] | [
[
3.60570806,
0,
2.2078594171694062e-16
],
[
-2.2078594171694062e-16,
3.60570806,
2.2078594171694062e-16
],
[
0,
0,
10.92424008
]
] | [
68,
68,
68,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003436769> | P4/mmm | Au-Cd-Er | 0.011197 | null | null | 0 | 2,078.694771 | 72.948265 |
[
[
1.805532285,
1.805532285,
1.946470716270985
],
[
1.805532285,
1.805532285,
5.433295654702212
],
[
1.805532285,
1.805532285,
8.949125245
],
[
1.805532285,
1.805532285,
12.464954835297787
],
[
1.805532285,
1.805532285,
15.951779773729013
... | [
[
3.61106457,
0,
2.2111393335824567e-16
],
[
-2.2111393335824567e-16,
3.61106457,
2.2111393335824567e-16
],
[
0,
0,
17.89825049
]
] | [
68,
68,
68,
68,
68,
48,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003641275> | P4/mmm | Au-Cd-Er | 0.00922 | null | null | -0.000005 | 2,030.733258 | 76.71627 |
[
[
1.8429514749999998,
1.842951475,
1.6623280995702707
],
[
1.8429514749999998,
1.842951475,
5.436371165324453
],
[
1.8429514749999998,
1.842951475,
9.18150754
],
[
1.8429514749999998,
1.842951475,
12.926643914675548
],
[
1.8429514749999998,
1.8... | [
[
3.68590295,
0,
2.2569646248426434e-16
],
[
-2.2569646248426434e-16,
3.68590295,
2.2569646248426434e-16
],
[
0,
0,
18.36301508
]
] | [
68,
68,
68,
68,
68,
48,
48,
48,
48,
79
] | [
1,
1,
1
] | alex<agm003641273> | P4/mmm | Au-Cd-Er | 0.004289 | null | null | 0.000216 | 2,275.275203 | 54.087711 |
[
[
1.79284066,
1.79284066,
8.436427528375873
],
[
1.79284066,
1.79284066,
1.8240300716241282
],
[
1.79284066,
1.79284066,
5.1302288
],
[
0,
0,
0
],
[
0,
0,
6.840305066666667
],
[
0,
0,
3.4201525333333334
]
] | [
[
3.58568132,
0,
2.1955965756502282e-16
],
[
-2.1955965756502282e-16,
3.58568132,
2.1955965756502282e-16
],
[
0,
0,
10.2604576
]
] | [
68,
68,
48,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003422276> | P4/mmm | Au-Cd-Er | 0.062071 | null | null | 0.000251 | 1,709.376311 | 79.620987 |
[
[
0.5947076020911765,
0.6441365533430222,
2.1069370663212745
],
[
3.9712153252232203,
-0.6441365533430217,
5.336772669481397
],
[
4.3840355877398025,
2.275704295431701,
6.799317163704008
],
[
2.2829614636571987,
0,
8.088102307901337
],
[
1.55952352... | [
[
0.3637746791491908,
-4.551408590863402,
1.2887851441973288
],
[
4.565922927314397,
0,
-1.2887851441973288
],
[
-0.3637746791491908,
4.551408590863402,
7.443709735802672
]
] | [
68,
68,
48,
48,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003621594> | I4/mmm | Au-Cd-Er | 0.044009 | null | null | 0.000259 | 1,710.79234 | 58.959873 |
[
[
0.8896254975014795,
2.685453158336697,
6.322461704361246
],
[
4.080721807567985,
5.454321559377293,
0.6706578780353372
],
[
2.093333269252837,
1.5055567759688953,
2.839540936362103
],
[
0.32222144999250896,
5.329250682094017,
4.101521913556864
],
[
... | [
[
5.207919892317961,
0,
-0.4578575621043929
],
[
-0.49879194773926794,
5.669222745053862,
-0.7987978823430203
],
[
0,
0,
7.20979264
]
] | [
68,
68,
48,
48,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003723213> | P1 | Au-Cd-Er | 0.086975 | null | null | -0 | 1,442.201465 | 88.066765 |
[
[
0,
0,
3.3985111056865036
],
[
0,
0,
7.0777483424299055
],
[
0,
0,
10.717773147570092
],
[
0,
0,
14.397010384313495
],
[
0,
0,
0
],
[
1.765553215,
1.765553215,
1.7551854532446025
],
[
1.765553215,
1.765553215,
... | [
[
3.53110643,
0,
2.1621790934740688e-16
],
[
-2.1621790934740688e-16,
3.53110643,
2.1621790934740688e-16
],
[
0,
0,
17.79552149
]
] | [
68,
68,
68,
68,
48,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003641276> | P4/mmm | Au-Cd-Er | 0.042739 | null | null | 0.000045 | 1,814.536215 | 84.849434 |
[
[
2.1720975751552056,
1.3849015012148855,
6.047771983683998
],
[
0,
0,
0
],
[
6.377554023709439e-10,
5.690692580403149,
1.3790539463040774
],
[
2.1720975970837344,
3.236895020198568,
2.647929256547857
],
[
-2.1290772920465865e-8,
3.838699061419... | [
[
4.34419515,
0,
2.660052342659478e-16
],
[
-2.1720975742070388,
7.075594081618035,
-2.0284074200119253
],
[
0,
0,
9.45523335
]
] | [
19,
19,
19,
30,
30,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003339714> | C2/m | K-Sb-Zn | 0.052966 | null | null | -0.000037 | 3,739.376502 | 22.644018 |
[
[
-1.7379698934338805,
-3.6571590513951873,
-6.011758885481545
],
[
2.1903833134888746,
-6.418409297591643,
-1.7191405554018822
],
[
1.3609841713176591,
-4.604160841188068,
-4.588090037328037
],
[
0.22263687171804705,
-1.5118988075202628,
-8.52571261693580... | [
[
4.9602030726416,
0,
-1.4339702842786353
],
[
0.5177452927259991,
-6.644444117123296,
1.7909170224661466
],
[
-4.9602030726416,
0,
-7.861858775721366
]
] | [
68,
68,
68,
68,
68,
68,
68,
68,
48,
48,
79
] | [
1,
1,
1
] | alex<agm003528302> | C2/m | Au-Cd-Er | 0.082573 | null | null | 0.00015 | 2,635.014643 | 56.526157 |
[
[
-2.0573130634419816,
0,
-7.340003218931826
],
[
-0.604092548706495,
-4.193797332372396,
-2.1552583956570572
],
[
1.0972289273378542,
-2.289548733615326,
-4.001991298350324
],
[
1.8908370961168315,
-2.961680786116611,
-1.1705863683091864
],
[
-1.2... | [
[
4.114626126883963,
0,
-1.1532793421363479
],
[
0.49313637863135906,
-6.483346065987723,
1.759393195992619
],
[
-4.114626126883963,
0,
-6.763363547863652
]
] | [
68,
48,
48,
79,
79,
79,
79,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003518763> | C2/m | Au-Cd-Er | 0.020542 | null | null | 0 | 1,212.769396 | 101.703888 |
[
[
1.7907178499999996,
5.775813423559304,
5.149802010574322
],
[
1.79071785,
1.272006032884868,
8.54474598116313
],
[
1.7907178499999998,
1.8444771626519416,
4.30295983172622
],
[
1.7907178499999996,
6.348284553326378,
0.9080158611374113
],
[
-2.552... | [
[
3.5814357,
0,
2.1929968831785301e-16
],
[
-4.666082237488155e-16,
7.6202905862112456,
-0.4749493776994588
],
[
0,
0,
9.92771122
]
] | [
68,
68,
68,
68,
48,
48,
48,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003366805> | P2/m | Au-Cd-Er | 0.051736 | null | null | 0.000171 | 1,968.349985 | 56.892036 |
[
[
2.93626347,
3.1114891088629495,
6.164807694057937
],
[
0.9787544899999999,
1.678488546137051,
12.400428974057936
],
[
2.9362634699999997,
7.90146676386295,
0.07081358594206466
],
[
0.9787544899999996,
6.468466201137051,
6.306434865942065
],
[
0.9... | [
[
3.91501796,
0,
2.3972571066592003e-16
],
[
-5.866030803183096e-16,
9.57995531,
5.866030803183096e-16
],
[
0,
0,
12.47124256
]
] | [
68,
68,
68,
68,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm003725541> | Pnma | Au-Cd-Er | 0.091451 | null | null | 0.000156 | 1,644.961542 | 52.585884 |
[
[
1.8547787699999996,
6.57704799194576,
5.280806758054241
],
[
1.8547787699999998,
2.62442974194576,
6.5770479919457605
],
[
1.8547787699999998,
5.28080675805424,
1.3281885080542406
],
[
1.85477877,
1.3281885080542402,
2.62442974194576
],
[
0,
... | [
[
3.70955754,
0,
2.271448883806965e-16
],
[
-4.840561288113913e-16,
7.9052365,
4.840561288113913e-16
],
[
0,
0,
7.9052365
]
] | [
68,
68,
68,
68,
48,
48,
79,
79,
79,
79
] | [
1,
1,
1
] | alex<agm002204348> | P4/mbm | Au-Cd-Er | 0.009126 | null | null | 0.004134 | 1,875.543168 | 79.2575 |
[
[
2.052949465221652,
1.271590636924743,
2.5121495997620693
],
[
6.921644809860778e-10,
3.9708632491562703,
4.616609507560667
],
[
5.607343279140363e-10,
3.2168641735183368,
0.6662238931972663
],
[
0,
0,
0
],
[
2.0529494653530826,
2.025589712562... | [
[
4.10589893,
0,
2.5141379911235215e-16
],
[
-2.0529494640861836,
5.242453886081013,
-0.45913397267726486
],
[
0,
0,
7.58789308
]
] | [
68,
68,
48,
48,
48,
79,
79
] | [
1,
1,
1
] | alex<agm003312364> | C2/m | Au-Cd-Er | 0.067321 | null | null | -0.000263 | 1,754.123733 | 68.332733 |
[
[
0,
0,
0
],
[
0,
0,
-6.125112
],
[
-2.8888810700000005,
1.6678962634213137,
-6.096458726064
],
[
-2.88888107,
-1.6678962634213141,
-6.153765273936
],
[
-2.88888107,
-1.6678962634213141,
-12.221570726064
],
[
-2.8888810700000005,
... | [
[
-2.8888810700000005,
-5.003688790263943,
-7.075717910985761e-16
],
[
-2.8888810699999996,
5.003688790263943,
3.5378589554928806e-16
],
[
0,
0,
-12.250224
]
] | [
73,
73,
73,
73,
73,
73,
23,
23,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | mp-1190092 | P6_322 | S-Ta-V | 0 | 0 | null | 0.011541 | 3,779.362156 | 71.822937 |
[
[
-1.3607737497201522,
-2.6499321881962223,
-5.808444549777414
],
[
0,
0,
0
],
[
0.48691637544826777,
-1.123419618675389,
-5.2445181042882
],
[
1.4073167703520004,
-1.4306347900346237,
-1.3158013295585216
],
[
-0.8762319352690173,
-3.8692295863... | [
[
3.2526323345232875,
0,
-0.7620106659329675
],
[
0.5310848350829831,
-5.299864376392445,
2.2669285145122036
],
[
-3.2526323345232875,
0,
-6.5609034740670324
]
] | [
73,
23,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm002237542> | C2/m | S-Ta-V | 0.01393 | null | null | 0.011793 | 3,248.682322 | 21.245008 |
[
[
1.418061922643149,
-4.055872634887855,
-1.6429240477630704
],
[
-0.6838094682770748,
-1.429261366826783,
-2.5423548080041796
],
[
0,
0,
0
],
[
2.0174811939313093,
-5.2328617187077775,
0.5856740309160839
],
[
-1.283228739565236,
-0.25227228300... | [
[
3.468953171570988,
0,
-0.9330338209559088
],
[
0.7342524543660739,
-5.485134001714638,
2.7298982342327505
],
[
-3.468953171570988,
0,
-5.982143269044092
]
] | [
22,
22,
28,
34,
34,
34,
34
] | [
1,
1,
1
] | mp-1025281 | C2/m | Ni-Se-Ti | 0.019777 | 0 | null | 0.000001 | 1,789.004511 | 66.941444 |
[
[
1.3033621305279206,
2.9426032298431273,
4.795337922643133
],
[
1.2545686794720792,
2.9426032298431273,
1.5989348376431334
],
[
3.8124994894720796,
2.5019383666479302,
-0.018739570160547236
],
[
3.861292940527921,
2.5019383666479302,
3.1776635148394528
... | [
[
5.11586162,
0,
3.1325617789068966e-16
],
[
-3.3338202194836967e-16,
5.4445415964910575,
-1.6162078175174144
],
[
0,
0,
6.39280617
]
] | [
73,
73,
73,
73,
23,
23,
23,
23,
16,
16,
16,
16
] | [
1,
1,
1
] | alex<agm003610023> | P2_1/c | S-Ta-V | 0.090455 | null | null | 0.000019 | 4,068.187556 | 151.367371 |
[
[
-9.041561963852292e-10,
5.048403101262268,
5.3549145000000005
],
[
1.9301709999066077,
0.5214619012667739,
1.7849715000000002
],
[
1.9301709995387175,
2.5755946950094692,
5.3549145000000005
],
[
-5.362662479818814e-10,
2.9942703075195722,
1.7849715000000... | [
[
3.860342,
0,
2.363777736957046e-16
],
[
-1.9301710009975488,
5.569865002529042,
3.6095389960999004e-16
],
[
0,
0,
7.139886
]
] | [
66,
66,
14,
14,
76,
76,
76,
76,
6,
6
] | [
1,
1,
1
] | mp-1205579 | Cmcm | C-Dy-Os-Si | 0 | 0 | null | 0.000022 | 6,860.448187 | 174.407333 |
[
[
2.1185727746420215,
1.576692623751483,
6.017393741886446
],
[
3.215399813661749,
3.7248418350269112,
3.0753923937130367
],
[
4.299365376264525,
3.7033058357177726,
6.017892654514666
],
[
1.0346072120392453,
1.5982286230606215,
3.074893481084816
],
[
... | [
[
3.8296637054302747,
0,
1.4277623318131814
],
[
1.504308882873496,
5.301534458778394,
1.8150202637863009
],
[
0,
0,
5.85000354
]
] | [
66,
66,
14,
14,
76,
76,
6
] | [
1,
1,
1
] | alex<agm002330640> | C2/m | C-Dy-Os-Si | 0 | null | null | -0 | 5,857.831022 | 138.547348 |
[
[
1.7928786935432277,
6.3296625,
6.309138057839087
],
[
3.978555355031323,
2.1098875,
2.903607873834496
],
[
2.074604719572994,
6.3296625,
1.6701054843430156
],
[
0.850985110241124,
2.1098875,
8.372967664583303
],
[
1.3982231784821866,
4.219775... | [
[
5.859770082569283,
0,
-1.709695335509218
],
[
-5.167733946872022e-16,
8.43955,
5.167733946872022e-16
],
[
0,
0,
10.89666761
]
] | [
37,
37,
73,
73,
29,
29,
29,
29,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | mp-1205413 | Ama2 | Cu-Rb-Ta-Te | 0.000004 | 1.328 | null | 0.000004 | 4,505.940943 | 18.535698 |
[
[
3.019305255,
0.12065627332276081,
3.0093591434971176
],
[
1.0064350849999995,
8.36240473423959,
3.9857791774594062
],
[
1.0064350849999997,
4.488893848182171,
6.927230348718644
],
[
3.0193052549999995,
3.9941671593801793,
0.06790797223787921
],
[
... | [
[
4.02574034,
0,
2.4650550107896885e-16
],
[
-5.194376754941476e-16,
8.48306100756235,
-3.866451629043478
],
[
0,
0,
10.86158995
]
] | [
37,
37,
73,
73,
29,
29,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002208731> | P2_1/m | Cu-Rb-Ta-Te | 0.096138 | null | null | 0.003106 | 4,703.389251 | 25.998896 |
[
[
-4.841644777564631,
0,
7.651457938347206
],
[
-7.005367018539092,
0,
3.4501301115486607
],
[
-9.967119966386567,
-3.799437759025517,
9.670078616612429
],
[
-7.803397725412107,
-3.799437759025517,
0.09320047341097536
],
[
-5.923505896873407,
-... | [
[
-5.923505898051861,
0,
-1.3383089600520672
],
[
-2.9617529466690216,
-7.598875518051034,
-0.6691544798464275
],
[
-5.923505898051861,
0,
12.439897009947932
]
] | [
37,
37,
37,
37,
73,
73,
29,
29,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm004766176> | Fddd | Cu-Rb-Ta-Te | 0 | null | null | 0.000075 | 4,850.183021 | 13.760371 |
[
[
0,
0,
0
],
[
1.1102230246251565e-16,
3.362021739124694,
2.220446049250313e-16
],
[
6.661338147750939e-16,
10.086065217374083,
1.1102230246251565e-15
],
[
7.96001541752102e-16,
6.724043478249388,
1.1102230246251565e-15
],
[
-0.7706981107654896,
... | [
[
1.5848722468211072,
4.482695652166258,
2.7450792550000003
],
[
1.5848722468211072,
4.482695652166258,
-2.7450792549999994
],
[
-3.169744493642214,
4.482695652166258,
0
]
] | [
3,
20,
20,
75,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205694 | Fm-3m | Ca-Li-O-Re | 0.097269 | 1.5831 | null | null | 2,198.393232 | 130.126099 |
[
[
-5.205131983279677,
-3.6622183957950853,
-7.664873153598818
],
[
-3.498879777240139,
-2.461736210733035,
-5.059368886469651
],
[
-0.26888567674472946,
-0.18918215232650112,
-5.12892826070179
],
[
-2.0533422708567417,
-1.4446872550688146,
-1.9961569088967... | [
[
-1.627265358387402,
-4.534494588090293,
-2.7441726622224465
],
[
-4.81763777343501,
0,
-2.7441726622224465
],
[
0,
0,
-5.6009809
]
] | [
3,
20,
20,
75,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004940911> | R3 | Ca-Li-O-Re | 0.017722 | null | null | -0 | 2,198.393232 | 99.500092 |
[
[
-1.608363911312737,
-2.269107746036646,
-2.8005885900729024
],
[
1.5463733776430815,
-1.0325043827127185,
-2.828662202525098
],
[
0.0057735205039926634,
-3.505711109360573,
0.010053176622913386
],
[
0,
0,
0
],
[
2.159249264769224,
-3.72720565... | [
[
4.768874720772548,
0,
-2.7387407157563803
],
[
1.5521468981470747,
-4.538215492073292,
2.702699844097815
],
[
-4.768874720772548,
0,
-2.78256815424362
]
] | [
3,
20,
20,
75,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002219621> | C2/m | Ca-Li-O-Re | 0.017485 | null | null | 0 | 2,198.393232 | 108.899628 |
[
[
0,
0,
0
],
[
0,
0,
-3.52095398
],
[
-4.930838470703383,
-3.2416454215751505,
-1.8813488451878109
],
[
-2.6854620007618064,
-1.7654838322744204,
-5.467890480030598
],
[
-4.357584491521045,
-1.1126701426859558,
-5.4909353437224535
],
[
... | [
[
-2.1622498764514018,
-5.007129253849571,
-0.1536656826092049
],
[
-5.454050595013788,
0,
-0.1536656826092049
],
[
0,
0,
-7.04190796
]
] | [
3,
20,
75,
75,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004884919> | C2/m | Ca-Li-O-Re | 0.055915 | null | null | 0.005206 | 2,524.957611 | 20.656866 |
[
[
-2.5384590259126045,
-1.702150121681556,
-8.761053055120765
],
[
-5.063918973754917,
-3.3955837810947704,
-3.613218427067865
],
[
0,
0,
0
],
[
-3.8011889998337605,
-2.548866951388163,
-6.187135741094315
],
[
-3.7053086157866613,
-1.2426243808... | [
[
-2.092059899396262,
-5.097733902776326,
-2.703289571094315
],
[
-5.510318100271259,
0,
-2.703289571094315
],
[
0,
0,
-6.96769234
]
] | [
22,
22,
22,
28,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002190779> | R-3 | Ni-Se-Ti | 0.007055 | null | null | 0 | 1,801.549846 | 55.144508 |
[
[
-3.737032554438491,
-4.093514447838693,
1.6081102975033759
],
[
-4.054621978967038,
-5.241953225259431,
-1.9603378946258345
],
[
-4.541235159638685,
-7.001600754823594,
1.3606568134733315
],
[
-6.071461268194964,
-3.1150569860658472,
-0.6202419413304598
... | [
[
-5.210022961661847,
0,
-0.7634055652607027
],
[
-1.290815785871841,
-4.667733836549062,
-2.6623632559308783
],
[
-1.290815785871841,
-4.667733836549062,
3.073541224069122
]
] | [
3,
3,
3,
20,
20,
75,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004625093> | C2/m | Ca-Li-O-Re | 0.09015 | null | null | 0.014336 | 2,270.907797 | 95.805534 |
[
[
0,
0,
-5.118731
],
[
0,
0,
0
],
[
-2.6172130050000004,
-1.51104863296334,
-2.5593655000000006
],
[
-2.617213004999999,
1.5110486329633392,
-7.6780965000000005
],
[
-2.6172130050000004,
-1.51104863296334,
-7.6780965000000005
],
[
-... | [
[
-2.6172130050000004,
-4.533145898890019,
-6.410323058520151e-16
],
[
-2.6172130049999995,
4.533145898890019,
3.2051615292600755e-16
],
[
0,
0,
-10.237462
]
] | [
60,
60,
24,
24,
52,
52,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1189585 | P-31c | Cr-Nd-O-Te | 0 | 2.7114 | null | 0.024698 | 3,176.424067 | 100.436295 |
[
[
0,
0,
0
],
[
4.565972580992443,
-2.6361654993328343,
-3.228630175
],
[
4.565972582004648,
2.636165499332834,
-3.2286301742842634
],
[
0,
0,
-3.228630175
],
[
1.0122049864946803e-9,
5.272330998665669,
-3.2286301742842634
],
[
-3.04... | [
[
-3.0439817220112353,
-5.272330998665669,
-2.1524201176209825
],
[
-3.0439817199868253,
5.272330998665669,
-2.152420116189509
],
[
6.087963441998061,
0,
-2.152420116189509
]
] | [
66,
26,
26,
26,
26,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1189224 | Im-3 | Cu-Dy-Fe-O | 0.03319 | 0 | null | 0.096491 | 1,559.42558 | 195.223724 |
[
[
4.394643434795475,
2.053896834004122,
3.5574536700000006
],
[
1.7579411352045256,
-2.053896834004122,
3.5574536699999997
],
[
0,
0,
0
],
[
3.076292285,
-1.3795957382554034e-49,
1.8836857500334736e-16
],
[
4.478785320012954,
-0.959638746666096... | [
[
6.15258457,
0,
3.767371500066947e-16
],
[
-3.7729472753130466e-16,
6.161690502012367,
3.5574536700000015
],
[
3.7729472753130466e-16,
-6.161690502012367,
3.557453669999999
]
] | [
37,
37,
3,
45,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1206187 | P-3m1 | Cl-Li-Rb-Rh | 0 | 1.6499 | null | null | 4,452.049351 | 13.031507 |
[
[
-3.2106547199999995,
1.8536723668669435,
-7.3936634
],
[
-3.2106547200000004,
-1.853672366866943,
-3.6968317000000006
],
[
0,
0,
-3.6968317
],
[
-4.508058813071923,
-0.12021956915540657,
-2.3395601999827162
],
[
-1.913250562714983,
-0.1202195... | [
[
-3.210654720000001,
-5.561017100600828,
-7.863836052030683e-16
],
[
-3.210654719999999,
5.561017100600828,
3.9319180260153415e-16
],
[
0,
0,
-7.3936634
]
] | [
37,
3,
45,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | alex<agm005089945> | P312 | Cl-Li-Rb-Rh | 0.043735 | null | null | 0.003817 | 4,127.81047 | 10.061374 |
[
[
5.20503482494149e-10,
4.828473175863795,
5.2548562500000005
],
[
1.8656380000510429,
0.4734978219288719,
1.7516187500000002
],
[
1.9201882998310622e-10,
1.7812713843024155,
3.938388642825
],
[
1.865638000379527,
3.520699613490251,
3.0680863571750003
],... | [
[
3.731276,
0,
2.28474760506767e-16
],
[
-1.865637999428454,
5.301970997792667,
3.441644359281445e-16
],
[
0,
0,
7.006475
]
] | [
65,
65,
25,
25,
25,
25,
14,
14,
6,
6
] | [
1,
1,
1
] | mp-1205526 | Cmcm | C-Mn-Si-Tb | 0 | 0 | null | 0.039563 | 2,345.554977 | 149.076263 |
[
[
2.8077108880091024,
4.381159161165563,
3.6436291528487743
],
[
2.2995110388667555,
0.8437880035092037,
5.111271147338269
],
[
3.3705966333815547,
1.6503236489689541,
2.0180587530175456
],
[
1.7366252934943027,
3.574623515705812,
6.736841547169498
],
... | [
[
3.6336989047520505,
0,
1.2582396743337914
],
[
1.4735230221238074,
5.2249471646747665,
1.6206200258532526
],
[
0,
0,
5.8760406
]
] | [
65,
65,
25,
25,
14,
14,
6
] | [
1,
1,
1
] | alex<agm002202762> | C2/m | C-Mn-Si-Tb | 0 | null | null | 0.017 | 2,511.129588 | 113.798515 |
[
[
2.7290750775,
1.4643204913223058,
6.516479892949345
],
[
0.9096916924999997,
5.353298672397135,
1.4802108358978383
],
[
2.7290750774999997,
4.007756378373748,
-0.21509833976929735
],
[
0.9096916924999998,
2.809862785345692,
8.211789068616481
],
[
... | [
[
3.63876677,
0,
2.228102038862127e-16
],
[
-4.174587743327334e-16,
6.81761916371944,
-1.7776654811528176
],
[
0,
0,
9.77435621
]
] | [
22,
22,
28,
28,
28,
28,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002244952> | P2_1/m | Ni-Se-Ti | 0 | null | null | 0.005395 | 1,747.526321 | 31.018208 |
[
[
-4.361413717207131e-11,
4.82418839498462,
5.2439325000000006
],
[
1.8562639999957444,
0.47067060634630886,
1.7479775000000002
],
[
-1.6081264395508555e-11,
1.7787655226251147,
3.9288591076500006
],
[
1.856263999968212,
3.516093478705814,
3.06305089235
... | [
[
3.712528,
0,
2.2732677659724624e-16
],
[
-1.8562640000478692,
5.294859001330928,
3.435633474383062e-16
],
[
0,
0,
6.99191
]
] | [
66,
66,
25,
25,
25,
25,
14,
14,
6,
6
] | [
1,
1,
1
] | mp-1205851 | Cmcm | C-Dy-Mn-Si | 0 | 0 | null | 0.038861 | 2,354.185749 | 136.176941 |
[
[
2.288200491961058,
0.8368852779268603,
5.094547807177959
],
[
2.7929766896463466,
4.365376343475854,
3.635271825289925
],
[
1.7276083537483589,
3.5564180024528573,
6.715183956254747
],
[
3.3535688278590454,
1.645843618949858,
2.0146356762131377
],
[
... | [
[
3.617593541129593,
0,
1.2513570263737273
],
[
1.4635836404778113,
5.202261621402715,
1.6236677160941575
],
[
0,
0,
5.85479489
]
] | [
66,
66,
25,
25,
14,
14,
6
] | [
1,
1,
1
] | alex<agm002202752> | C2/m | C-Dy-Mn-Si | 0 | null | null | 0.017098 | 2,519.49843 | 107.283768 |
[
[
0,
0,
2.602844715
],
[
1.944229905,
0,
1.1904974649824063e-16
],
[
-1.1904974649824063e-16,
1.944229905,
1.1904974649824063e-16
],
[
1.9442299049999998,
1.944229905,
3.7963098192800424
],
[
1.9442299049999998,
1.944229905,
1.4093796107199... | [
[
3.88845981,
0,
2.3809949299648125e-16
],
[
-2.3809949299648125e-16,
3.88845981,
2.3809949299648125e-16
],
[
0,
0,
5.20568943
]
] | [
66,
25,
25,
14,
14,
6
] | [
1,
1,
1
] | alex<agm004748413> | P4/mmm | C-Dy-Mn-Si | 0.017728 | null | null | 0.011778 | 2,242.507247 | 154.904373 |
[
[
0,
0,
0
],
[
-2.425463810542447,
-2.534361641048678,
1.4595709917509536
],
[
1.0243277276119054,
-3.0983917712342115,
-1.9460041732289386
],
[
-2.669269080918507,
0,
-2.7039256050201077
],
[
-2.035202581924524,
-2.8163767061414444,
-1.595... | [
[
1.8621872019443186,
-5.632753412282889,
1.4595709917509536
],
[
-5.932592365793367,
0,
1.4595709917509536
],
[
0,
0,
-6.10950077
]
] | [
68,
26,
26,
26,
5,
5,
5,
5,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1189650 | R32 | B-Er-Fe-O | 0.017246 | 2.4089 | null | 0.073467 | 1,641.203072 | 137.186829 |
[
[
1.7607202504183626,
1.232730903384519,
-3.0102423300341368
],
[
3.486860992936123,
-1.2327309033845208,
0.059119385172381855
],
[
3.521440500836724,
2.465461806769041,
-6.827294285471908e-11
],
[
0,
0,
0
],
[
4.426166549290636,
1.173233738043... | [
[
1.7952997583189627,
4.930923613538082,
2.9511229447252085
],
[
3.4522814850355226,
-4.930923613538082,
0.11823877041303696
],
[
0,
0,
-6.02048466
]
] | [
56,
56,
65,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205597 | Fm-3m | Ba-Mo-O-Tb | 0.002127 | 0 | null | null | 2,687.147342 | 116.685616 |
[
[
-1.4971305812192226,
4.285219989874154,
-1.4729339408995494
],
[
4.498299611011668,
0.012334841878095306,
4.434319906111724
],
[
-1.5011507537534623,
2.1487774158761246,
1.5429680740184477
],
[
1.500584514896223,
2.1487774158761246,
-1.5294864773939127
... | [
[
6.00347053729937,
0,
-0.1245501828247212
],
[
-3.0023015075069246,
4.297554831752249,
-2.934422771963104
],
[
0,
0,
6.02035892
]
] | [
56,
56,
65,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002299312> | C2/m | Ba-Mo-O-Tb | 0.000048 | null | null | 0.006439 | 2,687.147342 | 116.243942 |
[
[
-0.022736489442591303,
3.69042396432722,
3.075654091846779
],
[
3.47456712660041,
1.2431325598240628,
-2.931757417619252
],
[
0,
0,
3.011437185
],
[
1.7259153185789096,
2.4667782620756413,
0.07194833711376347
],
[
2.3442341778029,
3.770015699... | [
[
5.2235099375336995,
0,
-2.9316872610384763
],
[
-1.7716793003758804,
4.933556524151283,
-2.947290434733997
],
[
0,
0,
6.02287437
]
] | [
56,
56,
65,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm002299314> | P-1 | Ba-Mo-O-Tb | 0 | null | null | 0.006443 | 2,687.147342 | 116.402885 |
[
[
-1.7185224074980852,
2.9765681250519873,
-1.2151788480639472
],
[
1.718522408640994,
2.976568125051987,
-6.0758942411278944
],
[
-3.437044816139079,
0,
-6.075894241936052
],
[
0,
0,
-3.6455365449999997
],
[
0,
0,
0
],
[
-1.7185224... | [
[
-3.437044817281988,
-5.953136250103975,
-2.4303576977442116
],
[
-3.4370448149961703,
5.953136250103975,
-2.4303576961278943
],
[
6.874089632278158,
0,
-2.4303576961278943
]
] | [
56,
56,
56,
56,
65,
42,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004704356> | Im-3m | Ba-Mo-O-Tb | 0.037806 | null | null | 0.016747 | 2,842.919347 | 122.633461 |
[
[
6.543054954901715e-17,
3.617544860560114,
-4.3381143344234364e-16
],
[
4.440892098500626e-16,
10.852634581680338,
4.440892098500626e-16
],
[
0,
0,
0
],
[
2.220446049250313e-16,
7.235089721120225,
4.440892098500626e-16
],
[
1.6303267199094031,
... | [
[
1.7053270014323998,
4.8233931474134835,
2.9537130100000004
],
[
1.7053270014323998,
4.8233931474134835,
-2.9537130099999995
],
[
-3.410654002864799,
4.8233931474134835,
0
]
] | [
56,
56,
49,
75,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205875 | Fm-3m | Ba-In-O-Re | 0.03642 | 0 | null | 0.01372 | 2,268.687375 | 125.960602 |
[
[
0,
0,
0
],
[
-2.77342367,
-1.60123690245138,
-2.8063152650000003
],
[
-2.77342367,
1.6012369024513804,
-2.806315265
],
[
-3.705031962317422,
2.84221895997182,
-1.696191332555836
],
[
-1.8418153776825783,
2.8422189599718206,
-3.91643919744... | [
[
-2.7734236700000006,
-4.80371070735414,
-6.792928840290011e-16
],
[
-2.7734236699999997,
4.80371070735414,
3.3964644201450054e-16
],
[
0,
0,
-5.61263053
]
] | [
56,
49,
75,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005094677> | P312 | Ba-In-O-Re | 0.019908 | null | null | 0.000012 | 2,260.640062 | 84.335075 |
[
[
1.7539231949999998,
2.9924005350543075,
-0.028237254583855783
],
[
0,
0,
0
],
[
-2.487843802913571e-16,
4.062957261874534,
1.502247413802584
],
[
1.7539231949999998,
5.076539759771519,
5.224313916975426
],
[
1.753923195,
0.908261310337096,
... | [
[
3.50784639,
0,
2.147936426707049e-16
],
[
-3.664633737021085e-16,
5.984801070108615,
-0.05647450916771178
],
[
0,
0,
6.71072154
]
] | [
22,
28,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002322091> | P2/m | Ni-Se-Ti | 0.086461 | null | null | -0 | 1,810.422765 | 14.998079 |
[
[
0,
0,
0
],
[
0,
0,
-4.1825769
],
[
-3.0744748050000004,
1.7750488562834719,
-1.5546408295570502
],
[
-3.074474805000001,
-1.7750488562834725,
-6.810512970442951
],
[
-3.074474805000001,
-1.7750488562834725,
-0.21713588656582114
],
[
... | [
[
-3.074474805000001,
-5.325146568850417,
-7.530291458004865e-16
],
[
-3.074474804999999,
5.325146568850417,
3.7651457290024327e-16
],
[
0,
0,
-8.3651538
]
] | [
56,
49,
75,
75,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004880273> | P-3m1 | Ba-In-O-Re | 0.094029 | null | null | 0.003652 | 2,442.949491 | 17.128506 |
[
[
1.7375577996628995,
1.2161422686286392,
-2.9694709150759993
],
[
3.439949533563521,
-1.2161422686286394,
0.060098495719826395
],
[
1.7023917339006214,
-2.432284537257279,
-2.909372419204174
],
[
0,
0,
0
],
[
4.3549867228811046,
1.175172624654... | [
[
1.7727238654251773,
4.864569074514558,
2.909372419052175
],
[
3.4047834678012427,
-4.864569074514558,
0.12019699159165226
],
[
0,
0,
-5.93894183
]
] | [
56,
56,
71,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205836 | Fm-3m | Ba-Lu-Mo-O | 0 | 0 | null | null | 2,697.470406 | 120.897743 |
[
[
0,
0,
-3.6792585
],
[
-3.0044360850000005,
1.7346119824377761,
-6.059054407419
],
[
-3.004436085000001,
-1.7346119824377761,
-1.2994625925809995
],
[
-3.0044360850000005,
1.7346119824377761,
-2.480276457053999
],
[
-3.004436085000001,
-1.7346... | [
[
-3.004436085000001,
-5.203835947313326,
-7.35874606947611e-16
],
[
-3.004436084999999,
5.203835947313326,
3.679373034738055e-16
],
[
0,
0,
-7.358517
]
] | [
56,
56,
56,
71,
71,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1228133 | P-3m1 | Ba-Lu-Mo-O | 0 | 1.8983 | null | 0.000017 | 2,608.00723 | 118.790489 |
[
[
2.7757912117939423,
2.995055135,
3.9626778558382982
],
[
0,
0,
0
],
[
2.651664768280547,
0.44384938037949806,
1.9887163833706027
],
[
0.12412644351339541,
3.438904515379498,
1.973961472467696
],
[
5.427455980074489,
2.5512057546205016,
5.... | [
[
5.551582423587885,
0,
-0.09210757832340401
],
[
-3.6678846843475937e-16,
5.99011027,
3.6678846843475937e-16
],
[
0,
0,
8.01746329
]
] | [
11,
11,
60,
60,
60,
60,
77,
77,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-11912 | P2_1/c | Ir-Na-Nd-O | 0 | 0 | null | null | 4,507.297009 | 117.112244 |
[
[
0.06366988327487512,
0.2452768403768304,
2.0542805755500586
],
[
2.9230581102656785,
2.6868721146231698,
6.117537295480564
],
[
5.655106570706731,
5.61902106962317,
6.072232864310952
],
[
2.795718343715928,
3.1774257953768306,
2.008976144380447
],
[
... | [
[
5.718776453981606,
0,
-0.062223750138989245
],
[
-3.5908468323640067e-16,
5.86429791,
3.5908468323640067e-16
],
[
0,
0,
8.18873719
]
] | [
11,
11,
11,
11,
60,
60,
77,
77,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004951364> | P2_1/c | Ir-Na-Nd-O | 0 | null | null | 0.008157 | 4,739.020265 | 78.904732 |
[
[
0.9485989899999998,
3.1804811071906545,
2.992070203960199
],
[
2.8457969700000003,
2.1893721283709593,
6.1490960519188995
],
[
2.84579697,
5.244968008722531,
0.9401129384164408
],
[
0.94859899,
0.12488522683908285,
8.201053317462657
],
[
0.948598... | [
[
3.79439596,
0,
2.323397433555824e-16
],
[
-3.288086788410794e-16,
5.369853235561614,
-1.0546150241209018
],
[
0,
0,
10.19578128
]
] | [
3,
3,
57,
57,
6,
6,
6,
6,
7,
7,
7,
7,
7,
7,
7,
7
] | [
1,
1,
1
] | mp-1189974 | P2_1/m | C-La-Li-N | 0 | 3.2525 | null | -0.000148 | 2,212.461485 | 61.755825 |
[
[
4.440892098500626e-16,
7.085985532757707,
4.440892098500626e-16
],
[
1.8425643073507135e-16,
3.542992766378855,
-4.2029523861231144e-16
],
[
6.661338147750939e-16,
10.628978299136561,
4.440892098500626e-16
],
[
0,
0,
0
],
[
0.8963778264083233,
... | [
[
1.6701828072009155,
4.7239903551718045,
2.8928414800000004
],
[
1.6701828072009155,
4.7239903551718045,
-2.8928414799999995
],
[
-3.34036561440183,
4.7239903551718045,
0
]
] | [
11,
38,
38,
76,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1205676 | Fm-3m | Na-O-Os-Sr | 0.041572 | 0 | null | 0.007191 | 4,781.250052 | 112.582962 |
[
[
0,
0,
-3.51114077
],
[
-2.85887971,
-1.6505749701492594,
-4.494072128900359
],
[
0,
0,
0
],
[
-2.8588797100000005,
1.6505749701492591,
-2.528209411099642
],
[
-2.85887971,
-1.6505749701492594,
-1.0912540543553377
],
[
-2.858879710... | [
[
-2.8588797100000005,
-4.951724910447778,
-7.002235771997627e-16
],
[
-2.8588797099999996,
4.951724910447778,
3.5011178859988135e-16
],
[
0,
0,
-7.02228154
]
] | [
11,
38,
38,
38,
76,
76,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004673440> | P-3m1 | Na-O-Os-Sr | 0.006366 | null | null | -0.000003 | 5,348.926094 | 125.69928 |
[
[
2.621952779188995,
1.6029295720569752,
2.857689627003366
],
[
0.14032007048891615,
4.895213761323633,
2.77081812607682
],
[
2.600748655123387,
3.1867120751599796,
5.750369208522595
],
[
3.619361726636139,
1.8707962944102232,
4.9569715270184815
],
[
... | [
[
5.112980373576221,
0,
0.011869176828573674
],
[
0.13420093328297258,
4.912931314652979,
2.7640162481865516
],
[
0,
0,
5.67654937
]
] | [
11,
38,
76,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005094092> | P1 | Na-O-Os-Sr | 0.04964 | null | null | 0.007016 | 5,174.543662 | 59.795864 |
[
[
-0.1505883438413202,
0.6921363803101772,
4.826438250517123
],
[
-0.9728184460992195,
4.471282576104212,
-1.690411843267938
],
[
2.1961771311436777,
3.4183937584687993,
-0.24571426758550416
],
[
2.5602524887377927,
1.7450251979455897,
2.639882503642709
... | [
[
5.87983640982201,
0,
-0.7418581711919802
],
[
-1.1234067899405398,
5.1634189564143895,
-2.8839483727508153
],
[
0,
0,
6.01997478
]
] | [
11,
11,
38,
38,
76,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004582149> | C2/m | Na-O-Os-Sr | 0.064663 | null | null | 0.010974 | 4,587.2886 | 81.075287 |
[
[
0,
5.7001878620383035,
0
],
[
0,
0,
0
],
[
0,
8.550281793057456,
3.3306690738754696e-16
],
[
0,
2.8500939310191518,
4.804037112560166e-16
]
] | [
[
1.3435471637615113,
3.8001252413588693,
2.3270919500000002
],
[
1.3435471637615113,
3.8001252413588693,
-2.3270919499999994
],
[
-2.687094327523022,
3.8001252413588693,
0
]
] | [
69,
49,
29,
29
] | [
1,
1,
1
] | mp-622636 | Fm-3m | Cu-In-Tm | 0.023749 | 0 | null | -0.000001 | 2,297.635035 | 78.736954 |
[
[
1.74068855,
0,
3.43516702
],
[
-1.7600820537035006e-16,
2.8744321300295534,
2.658917406213065
],
[
-8.686645252877913e-17,
1.418636828010475,
4.637992047177208
],
[
-2.6514995821192097e-16,
4.330227432048631,
0.6798427652489218
],
[
1.74068854999... | [
[
3.4813771,
0,
2.1317286610699475e-16
],
[
-3.520164107407001e-16,
5.748864260059107,
-1.5524992275738703
],
[
0,
0,
6.87033404
]
] | [
22,
28,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm003742394> | P2/m | Ni-Se-Ti | 0.086677 | null | null | 0.000408 | 1,810.422765 | 17.096624 |
[
[
3.1737935110063145,
-1.1151433448260941,
0.5391557598700722
],
[
0,
0,
0
],
[
1.7633959157503798,
1.1151433448260935,
-2.693341610011947
],
[
1.4103975952559347,
-2.2302866896521873,
-2.1541858501179805
],
[
2.011508959060248,
1.0843507578282... | [
[
2.1163942362448256,
4.460573379304375,
2.1541858500940885
],
[
2.8207951905118693,
-4.460573379304375,
1.0783115197640376
],
[
0,
0,
-5.38668322
]
] | [
11,
11,
38,
76,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004764961> | I-4 | Na-O-Os-Sr | 0.063672 | null | null | 0.016859 | 5,283.130977 | 73.401718 |
[
[
-3.0733393448323145,
-2.274375599700938,
-4.768238993493837
],
[
-4.907506830169782,
-3.6317218951663914,
-7.6139217974088185
],
[
0,
0,
0
],
[
-0.9025333097013327,
-2.9530487474336646,
-8.181360907725663
],
[
0,
0,
-3.39054714
],
[
... | [
[
-1.8050666194026652,
-5.906097494867329,
-2.8005332554513274
],
[
-6.175779555599431,
0,
-2.8005332554513274
],
[
0,
0,
-6.78109428
]
] | [
11,
11,
38,
76,
76,
76,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004493506> | R-3m | Na-O-Os-Sr | 0.034348 | null | null | -0 | 6,220.27784 | 102.388855 |
[
[
2.815597652556442,
3.258298269907798,
1.9658026378794828
],
[
5.66921420972098,
5.721626435092203,
6.105301591535942
],
[
2.891635461772635,
2.7283182000922026,
6.313195269433436
],
[
0.038018904608096565,
0.2649900349077978,
2.1736963157769766
],
[
... | [
[
5.707233114329077,
0,
0.01492136731291906
],
[
-3.6657453488541636e-16,
5.98661647,
3.6657453488541636e-16
],
[
0,
0,
8.26407654
]
] | [
11,
11,
11,
11,
38,
38,
76,
76,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004940954> | P2_1/c | Na-O-Os-Sr | 0 | null | null | -0 | 4,918.564528 | 68.509445 |
[
[
0,
0,
0
],
[
-4.850413595133323,
-3.5632259172307315,
-7.649670865738053
],
[
-3.1289746800210922,
-2.298617108734092,
-4.934759887982602
],
[
0,
0,
-3.395726875
],
[
-7.0611025440326225,
-2.9309215129824118,
-4.344732752790491
],
[
... | [
[
-1.8365714622435834,
-5.8618430259648235,
-2.8964885018603272
],
[
-6.142816812910831,
0,
-2.8964885018603272
],
[
0,
0,
-6.79145375
]
] | [
11,
38,
38,
76,
76,
76,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004493505> | R-3m | Na-O-Os-Sr | 0.023253 | null | null | 0.004089 | 6,063.496796 | 119.53421 |
[
[
-3.0453067006434384,
0,
-1.6445727772183503
],
[
0,
0,
-3.460998775
],
[
-7.071547356856019,
-2.8829952264607206,
-4.933718331655051
],
[
-7.071547356856019,
-2.8829952264607206,
-8.394717106655051
],
[
-4.026240656212581,
-2.8829952264607206... | [
[
-1.9618679111382842,
-5.765990452921441,
-3.2891455544367005
],
[
-6.090613401286877,
0,
-3.2891455544367005
],
[
0,
0,
-6.92199755
]
] | [
11,
11,
11,
38,
38,
38,
76,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004683539> | R-3m | Na-O-Os-Sr | 0.059195 | null | null | 0.004111 | 4,027.593413 | 68.941818 |
[
[
-3.2666344107093592,
-2.70864301828863,
-4.444090992312922
],
[
-3.021319636436238,
1.2042510387661467,
-3.5949468436484553
],
[
-0.638713974675948,
-1.2042509845932852,
-2.2108749764255213
],
[
-1.8300168199222688,
0,
-6.334507196132826
],
[
-1.... | [
[
-3.6600336398445377,
0,
1.0573708277343457
],
[
-0.7867984582703574,
5.41728603657726,
-2.723461579905463
],
[
0.7867984582703574,
-5.41728603657726,
-4.139731030094536
]
] | [
11,
38,
38,
76,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005177899> | Immm | Na-O-Os-Sr | 0.078536 | null | null | 0.010251 | 4,927.469376 | 101.818474 |
[
[
2.5180443906227152,
-1.2652857399488473,
1.8434272048373939
],
[
1.1538225102284645,
1.2519128195041933,
4.043855088470599
],
[
0.014035049743948067,
0.015228216247357255,
0.049189287625151595
],
[
0.1509399648574377,
-1.8349268755927417,
0.5290062719665... | [
[
0.2999363516836566,
-3.6719625592832807,
1.0512007961628205
],
[
3.684192021575358,
0,
-1.0512007961628205
],
[
-0.2999363516836566,
3.6719625592832807,
5.930478643837179
]
] | [
11,
38,
76,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm005058705> | I4mm | Na-O-Os-Sr | 0.051254 | null | null | 0.000316 | 5,584.533976 | 119.294151 |
[
[
-4.1907558739892625,
-4.269851103726529,
1.3153990115917735
],
[
-4.617370043272074,
-5.691207273765603,
-2.1258656844853685
],
[
-5.151505565640033,
-7.4707937831191,
1.1428375999253393
],
[
-6.8177560210883374,
-3.3297162039739843,
-0.8868048125462691
... | [
[
-5.818355489223879,
0,
-0.9507716283821476
],
[
-1.4948852140187294,
-4.9805291887460665,
-2.9558369172557244
],
[
-1.4948852140187294,
-4.9805291887460665,
3.0961418727442753
]
] | [
11,
11,
11,
38,
38,
76,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | alex<agm004625517> | C2/m | Na-O-Os-Sr | 0.018586 | null | null | 0.017122 | 4,410.140229 | 74.48555 |
[
[
4.138148349025202,
5.560430865470001,
4.094616456014915
],
[
1.4178376138528,
2.7596718654700005,
4.047240883682799
],
[
4.220743636349346,
0.34871130005400003,
8.123691083032659
],
[
1.3352423265286557,
3.1494703000540003,
0.01816625666505306
],
[
... | [
[
5.555985962878002,
0,
0.030192729697712955
],
[
-3.429940544533142e-16,
5.601518,
3.429940544533142e-16
],
[
0,
0,
8.11166461
]
] | [
11,
11,
60,
60,
26,
26,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | mp-1189143 | P2_1 | Fe-Na-Nd-O-W | 0 | 2.4171 | null | null | 2,734.743031 | 117.047714 |
[
[
0,
0,
0
],
[
2.720148265,
0,
1.6656104329692383e-16
],
[
0,
0,
2.720148265
],
[
-1.6656104329692383e-16,
2.720148265,
1.6656104329692383e-16
],
[
1.4028768623150119,
1.4028768623150119,
1.402876862315012
],
[
4.037419667684989,
... | [
[
5.44029653,
0,
3.3312208659384765e-16
],
[
-3.3312208659384765e-16,
5.44029653,
3.3312208659384765e-16
],
[
0,
0,
5.44029653
]
] | [
22,
28,
28,
28,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002244955> | P-43m | Ni-Se-Ti | 0.049802 | null | null | 0.000104 | 1,742.915542 | 34.797127 |
[
[
2.0616293845333105,
0.7272599124547735,
-1.294099411584
],
[
0.13805751359993018,
2.1817797373643204,
-3.532036588416
],
[
1.6497651735999304,
2.1817797373643204,
2.7769619205983026e-16
],
[
0.5499217245333101,
0.7272599124547735,
9.256539735327677e-17
... | [
[
-0.8237284218667599,
2.909039649819094,
1.8513079470655352e-16
],
[
3.02341532,
0,
1.8513079470655352e-16
],
[
0,
0,
-4.826136
]
] | [
41,
41,
1,
1
] | [
1,
1,
1
] | mp-1206371 | Cmme | H-Nb | 0.068632 | 0 | null | 0 | 8,800 | 183.608154 |
[
[
-2.0513454187586317,
-1.3987553685838676,
-0.05623621055973231
],
[
0,
0,
-2.507754325
],
[
-3.4981989746025857,
-2.3853245539997907,
-0.8467796685199683
],
[
-0.6044918629146785,
-0.4121861831679443,
-4.281201402599496
]
] | [
[
-1.09757304904911,
-2.7975107371677352,
-0.056236210559732304
],
[
-3.0051177884681537,
0,
-0.056236210559732304
],
[
0,
0,
-5.01550865
]
] | [
41,
41,
1,
1
] | [
1,
1,
1
] | alex<agm002080946> | C2/m | H-Nb | 0.053997 | null | null | 0 | 8,800 | 173.066315 |
[
[
0,
0,
0
],
[
1.0692710532942389,
0.6147560883673722,
-1.5074457800468974
]
] | [
[
-1.4316585767898211,
-2.4590243534694887,
-0.9965561027740573
],
[
-1.4137670595973135,
2.4590243534694887,
-1.0217793542642966
],
[
2.8454256363871346,
0,
-0.9965561029616463
]
] | [
41,
1
] | [
1,
1,
1
] | alex<agm002080934> | I-4m2 | H-Nb | 0.017238 | null | null | 0 | 8,800 | 169.001389 |
[
[
0.008511166336316317,
2.1147463164960394,
-2.1019613515437103
],
[
1.9883631894824862,
0.7201640436713053,
-4.578190821543711
],
[
-0.5339514818798465,
2.4968500212313347,
-3.9428614568520888
],
[
2.5308258376986483,
0.3380603389360101,
-1.46663198685208... | [
[
-1.0138869141811975,
2.8349103601673447,
1.8435595761511602e-16
],
[
3.01076127,
0,
1.8435595761511602e-16
],
[
0,
0,
-4.95245894
]
] | [
41,
41,
1,
1
] | [
1,
1,
1
] | alex<agm002080938> | Cmc2_1 | H-Nb | 0.021399 | null | null | 0 | 8,800 | 170.707214 |
[
[
-8.974787297531234e-17,
1.465693995,
8.974787297531234e-17
],
[
1.465693995,
0,
2.527636915
],
[
0,
0,
1.2638184575
],
[
0,
0,
3.7914553724999998
]
] | [
[
2.93138799,
0,
1.7949574595062468e-16
],
[
-1.7949574595062468e-16,
2.93138799,
1.7949574595062468e-16
],
[
0,
0,
5.05527383
]
] | [
41,
41,
1,
1
] | [
1,
1,
1
] | alex<agm002153913> | P4_2/mmc | H-Nb | 0.095501 | null | null | 0.000001 | 8,800 | 164.233765 |
[
[
0.7864885370318434,
0.5236104890830655,
2.574491641015628
],
[
2.820256483314668,
1.9523026257050917,
0.11292312262312058
],
[
2.2586047116134313,
1.5750705495289063,
3.2603999380804316
],
[
2.3007555981285908,
0.48742956803977994,
1.300164719063217
]
... | [
[
2.992413393136828,
0,
0.020287003070934374
],
[
1.0302449548599908,
2.8600320337002114,
0.045364158339262724
],
[
0,
0,
4.94866227
]
] | [
41,
41,
1,
1
] | [
1,
1,
1
] | alex<agm002080944> | P1 | H-Nb | 0.032624 | null | null | 0 | 8,800 | 168.368607 |
[
[
1.9192364788429301,
1.8835437625898908,
-1.2716637865267664
],
[
0.8814194919322517,
0.45257294131020975,
-3.611152153473234
],
[
2.3521652393757666,
1.569560545656533,
-4.204645784486949
],
[
1.3143482524650878,
0.13858972437685207,
-0.678170155513051
... | [
[
-0.9352452361786431,
2.861941642559362,
1.8436317935729059e-16
],
[
3.01087921,
0,
1.8436317935729059e-16
],
[
0,
0,
-4.88281594
]
] | [
41,
41,
1,
1
] | [
1,
1,
1
] | alex<agm002080939> | Aem2 | H-Nb | 0.042232 | null | null | 0 | 8,800 | 158.50325 |
[
[
-1.0601783046313836e-16,
1.731402565,
2.599000998364243
],
[
1.731402565,
0,
0.9105013616357568
],
[
1.731402565,
1.731402565,
2.120356609262767e-16
],
[
0,
0,
0
]
] | [
[
3.46280513,
0,
2.120356609262767e-16
],
[
-2.120356609262767e-16,
3.46280513,
2.120356609262767e-16
],
[
0,
0,
3.50950236
]
] | [
41,
41,
1,
1
] | [
1,
1,
1
] | alex<agm001416959> | P4/nmm | H-Nb | 0.026119 | null | null | -0.000001 | 8,800 | 168.596054 |
[
[
1.0225410972667337e-15,
5.526284941540258,
1.9361219516511604e-16
],
[
5.784518874166711e-16,
2.763142470770128,
4.725216196099778e-16
],
[
0,
0,
0
],
[
5.112705486333668e-16,
8.289427412310387,
5.551115123125783e-16
]
] | [
[
1.3025578523107402,
3.684189961026839,
2.2560963800000002
],
[
1.3025578523107402,
3.684189961026839,
-2.2560963799999993
],
[
-2.60511570462148,
3.684189961026839,
0
]
] | [
3,
3,
51,
46
] | [
1,
1,
1
] | mp-10180 | F-43m | Li-Pd-Sb | 0 | 0 | 65.626677 | null | 5,468.220539 | 68.776772 |
[
[
-5.663407212041618e-17,
0.9249045873446454,
1.71839457531962
],
[
1.7334699649999998,
2.5699902326553543,
3.43653361
],
[
1.7334699649999998,
2.5699902326553543,
6.87306722
],
[
-5.663407212041618e-17,
0.9249045873446454,
8.591206254680381
],
[
-... | [
[
3.46693993,
0,
2.1228884440553245e-16
],
[
-2.1400058773348325e-16,
3.49489482,
2.1400058773348325e-16
],
[
0,
0,
10.30960083
]
] | [
41,
41,
41,
41,
41,
41,
1,
1,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm004442573> | Pmmn | H-Nb | 0.015071 | null | null | -0.000031 | 8,800 | 177.932617 |
[
[
-2.240310955780705e-16,
3.658705444444058,
3.658705444444058
],
[
1.7882662199999997,
3.635521570555942,
1.2272964394440582
],
[
1.78826622,
1.2272964394440578,
3.6355215705559423
],
[
-7.37306299610596e-17,
1.2041125655559421,
1.2041125655559421
],
... | [
[
3.57653244,
0,
2.1899945023463364e-16
],
[
-2.977617255391301e-16,
4.86281801,
2.977617255391301e-16
],
[
0,
0,
4.86281801
]
] | [
41,
41,
41,
41,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm004442570> | P4_2/mnm | H-Nb | 0.054627 | null | null | 0.000018 | 8,800 | 184.589386 |
[
[
0,
0,
0
],
[
3.3306690738754696e-16,
5.94745990789378,
4.440892098500626e-16
],
[
0,
1.9824866359645932,
-1.038733619118659e-15
]
] | [
[
0.9345531626015138,
2.643315514619458,
1.6186935600000005
],
[
0.9345531626015138,
2.643315514619458,
-1.6186935599999996
],
[
-1.869106325203027,
2.643315514619458,
0
]
] | [
41,
1,
1
] | [
1,
1,
1
] | mp-24154 | Fm-3m | H-Nb | 0 | 0 | 178.277421 | null | 8,800 | 207.717545 |
[
[
-1.1064728258740946,
-0.7511800522567638,
-3.985868203475018
],
[
-2.959922844098318,
-2.0094799842456927,
-1.6447144273294934
],
[
-0.04332653005453167,
-0.0294142109497868,
-2.5264424899556714
]
] | [
[
-1.0749157070445834,
-2.7073117279294405,
-0.28422365125488286
],
[
-2.9128989974654886,
0,
-0.28422365125488286
],
[
0,
0,
-4.9412305
]
] | [
41,
41,
1
] | [
1,
1,
1
] | alex<agm002153916> | C2/m | H-Nb | 0.03739 | null | null | -0 | 8,800 | 184.478058 |
[
[
2.4528840845998117,
-1.745159664134817,
-3.6798554135635095
],
[
3.6673990737161004,
0.683809521315499,
-2.532504906469578
],
[
0.9265799119538247,
0.6838095213154989,
-4.3594548076112165
],
[
3.6531859246827625,
0.6749935637035119,
0.41555739493785143
... | [
[
2.418093326058257,
4.875570383636013,
2.26846286215221
],
[
3.0241821077089415,
-4.875570383636013,
1.3591989060167462
],
[
0,
0,
-5.89612463
]
] | [
41,
41,
41,
41,
41,
41,
41,
41,
1,
1,
1,
1
] | [
1,
1,
1
] | alex<agm002153917> | I4_1/amd | H-Nb | 0.039486 | null | null | 0 | 8,800 | 179.757111 |
[
[
1.692583415,
0,
6.013469221842263
],
[
-1.0364084307348232e-16,
1.692583415,
0.8974035781577362
],
[
1.692583415,
0,
2.5580328218422643
],
[
-1.0364084307348232e-16,
1.692583415,
4.3528399781577365
],
[
0,
0,
0
],
[
1.692583415,
... | [
[
3.38516683,
0,
2.0728168614696464e-16
],
[
-2.0728168614696464e-16,
3.38516683,
2.0728168614696464e-16
],
[
0,
0,
6.9108728
]
] | [
41,
41,
41,
41,
1,
1
] | [
1,
1,
1
] | alex<agm003294918> | P4_2/nmc | H-Nb | 0.034375 | null | null | 0.000001 | 8,800 | 171.372467 |
[
[
1.47060111,
0,
-3.7123811577531614
],
[
-0.4884653095632754,
1.3871082387782454,
-1.1439741222468383
],
[
0,
0,
-2.42817764
]
] | [
[
-0.9769306191265508,
2.774216477556491,
1.8009669421840447e-16
],
[
2.94120222,
0,
1.8009669421840447e-16
],
[
0,
0,
-4.85635528
]
] | [
41,
41,
1
] | [
1,
1,
1
] | alex<agm002153918> | C222 | H-Nb | 0.002195 | null | null | -0.000029 | 8,800 | 162.369812 |
[
[
2.4468991863869114,
2.8480139736319168,
0.09537324383074634
],
[
0.5074918783570487,
1.3729014513342497,
2.3984105140917378
],
[
1.4677116485294766,
0,
0.01150306713934558
],
[
0.014003164087289174,
3.1161374535967177,
-1.786706692938025
],
[
0.0... | [
[
2.935423297058953,
0,
0.02300613427869116
],
[
0.01896776768500678,
4.220915424966166,
-2.420155706356207
],
[
0,
0,
4.89093333
]
] | [
41,
41,
41,
1,
1
] | [
1,
1,
1
] | alex<agm003287261> | C2/m | H-Nb | 0 | null | null | -0 | 8,800 | 164.291473 |
[
[
-1.468805554495104e-16,
2.398741507376239,
4.154742165
],
[
1.4688055544951045e-16,
-2.3987415073762386,
4.154742164999999
],
[
2.983048,
-2.3987415073762395,
4.154742165
],
[
2.9830479999999993,
2.398741507376238,
4.154742165000001
],
[
1.491523... | [
[
5.966096,
0,
3.653180184902914e-16
],
[
-4.406416663485312e-16,
7.196224522128716,
4.154742165000002
],
[
4.406416663485312e-16,
-7.196224522128716,
4.154742164999998
]
] | [
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | mp-1189800 | P6_3/mcm | Ir-Yb | 0.050489 | 0 | null | 0.000016 | 5,499.627978 | 79.626816 |
[
[
0,
0,
0
],
[
-5.781397841627955e-16,
5.523303238913614,
6.944310798617792e-16
],
[
-6.702528715636646e-17,
2.7616516194568073,
-2.829726508668525e-17
],
[
-6.702528715636646e-17,
8.28495485837042,
6.661338147750939e-16
]
] | [
[
1.3018550582618127,
3.682202159275742,
2.2548791050000005
],
[
1.3018550582618127,
3.682202159275742,
-2.2548791049999997
],
[
-2.603710116523625,
3.682202159275742,
0
]
] | [
3,
51,
46,
46
] | [
1,
1,
1
] | mp-861736 | Fm-3m | Li-Pd-Sb | 0 | 0 | 101.659508 | null | 6,282.8656 | 102.294472 |
[
[
1.1058796874999997,
6.88873009048431,
2.896905978979013
],
[
3.3176390625000005,
0.2218076795156894,
5.961503871020987
],
[
1.1058796874999999,
3.3334612054843107,
1.5322989460209877
],
[
3.3176390625,
3.7770765645156894,
7.326110903979012
],
[
3... | [
[
4.42351875,
0,
2.7086240390779007e-16
],
[
-4.353948660123429e-16,
7.11053777,
4.353948660123429e-16
],
[
0,
0,
8.85840985
]
] | [
70,
70,
70,
70,
70,
70,
70,
70,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002245950> | Pnma | Ir-Yb | 0.00227 | null | null | 0 | 5,242.501259 | 67.518272 |
[
[
-3.212713299363102,
-0.8408885165858156,
2.172561031018002
],
[
-2.320784294613901,
0.8408885165858155,
-0.5506752083911699
],
[
-3.1375480901755344,
3.1313387818006855,
2.072202473686585
],
[
-2.3959495038014693,
-3.1313387818006855,
-0.4503166510597528... | [
[
-2.42947666091972,
-4.58090053042974,
-2.522519124746337
],
[
0,
0,
5.76629077
],
[
-3.104020933057283,
4.58090053042974,
-1.6218858226268316
]
] | [
70,
70,
70,
70,
77,
77
] | [
1,
1,
1
] | alex<agm002323913> | I4/mcm | Ir-Yb | 0.01367 | null | null | -0 | 5,242.501259 | 63.272869 |
[
[
2.125313176340118,
-1.2627679423600364,
1.5064836058811364
],
[
1.1892492799129701,
1.2627679423600364,
4.858654097993026
],
[
0,
0,
0
]
] | [
[
0.19858207230021957,
-3.3086083837413356,
0.8113030761258366
],
[
3.3145624562530878,
0,
-0.8113030761258366
],
[
-0.19858207230021957,
3.3086083837413356,
6.365137703874163
]
] | [
70,
70,
77
] | [
1,
1,
1
] | alex<agm002323914> | I4/mmm | Ir-Yb | 0.061755 | null | null | 0 | 5,242.501259 | 67.008537 |
[
[
-2.660699805,
1.5361557486495352,
-4.9336866919603795
],
[
-2.6606998050000006,
-1.5361557486495352,
-3.7468515580396202
],
[
-2.6606998050000006,
-1.5361557486495352,
-0.5934175669603804
],
[
-2.660699805,
1.5361557486495352,
-8.08712068303962
],
[
... | [
[
-2.6606998050000006,
-4.608467245948605,
-6.516834999370475e-16
],
[
-2.6606998049999997,
4.608467245948605,
3.2584174996852373e-16
],
[
0,
0,
-8.68053825
]
] | [
70,
70,
70,
70,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002245976> | P6_3/mmc | Ir-Yb | 0 | null | null | -0.000011 | 7,237.599242 | 184.893555 |
[
[
4.070536569558923e-11,
5.0460607438759375,
6.8251503074999995
],
[
2.0556365950074884,
0.9282801896794141,
2.2750501025
],
[
2.0571096853148952e-8,
1.8261159146257513,
8.493254899486706
],
[
2.055636574477097,
4.1482250189296,
0.6069455105132949
],
[... | [
[
4.11127319,
0,
2.5174287762769143e-16
],
[
-2.0556365949518067,
5.974340933555352,
3.868720654543466e-16
],
[
0,
0,
9.10020041
]
] | [
70,
70,
70,
70,
70,
70,
77,
77
] | [
1,
1,
1
] | alex<agm002359638> | Cmcm | Ir-Yb | 0 | null | null | 0.000105 | 4,721.315916 | 43.341637 |
[
[
0,
0,
0
],
[
-1.0389920581192449,
-0.636131599578495,
-5.7610578588883055
],
[
-6.358938386129836,
-3.8933133468914423,
-6.513281174956057
],
[
-3.6989652221245404,
-2.2647224732349684,
-6.137169516922181
],
[
-2.4684886094136615,
-1.51135284... | [
[
-2.312369898086961,
-4.529444946469937,
-1.5308598319221807
],
[
-5.085560546162119,
0,
-1.5308598319221807
],
[
0,
0,
-9.21261937
]
] | [
70,
70,
70,
77,
77,
77,
77,
77,
77,
77,
77,
77
] | [
1,
1,
1
] | alex<agm002192875> | R-3m | Ir-Yb | 0.090695 | null | null | 0.000215 | 7,715.109425 | 207.856598 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.