immutable_id large_stringlengths 4 13 | elements listlengths 1 7 | nsites int64 1 20 | nelements int64 1 7 | chemical_formula_anonymous large_stringclasses 529
values | chemical_formula_reduced large_stringlengths 1 17 | lattice_vectors listlengths 3 3 | cartesian_site_positions listlengths 1 20 | species_at_sites listlengths 1 20 | dft_hull float64 0 0.1 | energy float64 -948.71 -0.22 |
|---|---|---|---|---|---|---|---|---|---|---|
agm003702555 | [
"In",
"Sn",
"Tl"
] | 20 | 3 | A12B7C | In7SnTl12 | [
[
6.674791730777398,
3.8536928025490185,
3.874643801840267
],
[
-6.674791730777398,
3.8536928025490185,
3.874643801840267
],
[
0,
-7.707385605098037,
3.874643801840267
]
] | [
[
-1.7525130922139693,
3.0125621883277893,
5.803964795788228
],
[
1.732698839465321,
3.0240019524860133,
5.819966609732574
],
[
-1.7011321474204606,
1.0015914458723234,
8.68775128519233
],
[
0.01683756262838887,
1.9740193777966542,
2.936180120328469
],
... | [
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"Sn"
] | 0.028701 | -51.092409 |
agm005735153 | [
"In",
"Na",
"Sr"
] | 18 | 3 | A6B2C | InNa2Sr6 | [
[
5.720273950213118,
5.861098464659565,
6.054712702490175
],
[
5.720273950213118,
-5.861098464659565,
-6.054712702490175
],
[
-5.720273950213118,
5.861098464659565,
-6.054712702490175
]
] | [
[
4.12564210473957,
5.861098464659564,
-8.881784197001252e-16
],
[
1.5946318454735477,
0,
-6.054712702490175
],
[
-1.2980584767994271e-16,
4.28005191496164,
-1.3150655591335368e-17
],
[
5.720273950213118,
1.5810465496979251,
-6.054712702490175
],
[
... | [
"Na",
"Na",
"Na",
"Na",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"In",
"In"
] | 0.064827 | -31.956981 |
agm006023738 | [
"In",
"Nd",
"O"
] | 20 | 3 | A6B3C | InNd3O6 | [
[
4.9840184392245375,
2.877524387532345,
3.8193340733300074
],
[
-4.9840184392245375,
2.877524387532345,
3.8193340733300074
],
[
0,
-5.75504877506469,
3.8193340733300074
]
] | [
[
-2.4554661970551384,
-0.34657185720829375,
8.088528104940464
],
[
0.9275930659484328,
2.2997820333878627,
8.088528104940464
],
[
-1.527873131106704,
1.953210176179568,
3.369474115049558
],
[
1.5278731311067044,
-1.9532101761795684,
8.088528104940464
],... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"In",
"In",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 0.012791 | -151.88806 |
agm002236259 | [
"In",
"Nd",
"Ru"
] | 12 | 3 | A3B2C | In3Nd2Ru | [
[
-2.981161653866436,
-5.16352345007273,
0
],
[
-2.981161653866436,
5.16352345007273,
0
],
[
0,
0,
-9.33909401
]
] | [
[
0,
0,
-4.669547005
],
[
0,
0,
0
],
[
-2.9811616538664367,
1.7211744833575764,
-0.48370221761531274
],
[
-2.9811616538664363,
-1.7211744833575766,
-5.1532492226153135
],
[
-2.9811616538664354,
1.7211744833575768,
-4.185844787384688
],
... | [
"Ru",
"Ru",
"Nd",
"Nd",
"Nd",
"Nd",
"In",
"In",
"In",
"In",
"In",
"In"
] | 0.057934 | -58.552714 |
agm005811253 | [
"In",
"Nd",
"Sn"
] | 8 | 3 | A6BC | InNdSn6 | [
[
0,
0,
4.74143202
],
[
6.77334825684032,
0,
0
],
[
0,
6.77334825684032,
0
]
] | [
[
0,
0,
2.37071601
],
[
3.38667412842016,
3.38667412842016,
2.37071601
],
[
1.7562824668957224,
1.7562824668957224,
0
],
[
5.0170657899445965,
5.0170657899445965,
0
],
[
5.0170657899445965,
1.7562824668957224,
0
],
[
1.7562824668957... | [
"Nd",
"In",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 0.03753 | -33.269619 |
agm006134365 | [
"In",
"Nd",
"Tm"
] | 12 | 3 | A6B5C | In5NdTm6 | [
[
4.956694605260213,
0,
0
],
[
0,
8.69225953476223,
0
],
[
-2.4783473026301066,
-4.346129767381115,
7.492039439330402
]
] | [
[
2.478347302630106,
2.0426540012032706,
4.950811210486177
],
[
2.4783473026301066,
-2.04265400120327,
4.950811210486175
],
[
2.4783473026301066,
6.294284782519775,
0
],
[
2.4783473026301066,
2.3979747522424533,
2.254585763822799e-16
],
[
-4.051118... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Nd",
"In",
"In",
"In",
"In",
"In"
] | 0.052134 | -49.567299 |
agm002167258 | [
"In",
"Ni",
"Tm"
] | 10 | 3 | A2B2C | InNi2Tm2 | [
[
0,
0,
3.55081506
],
[
7.38258125,
0,
0
],
[
0,
7.38258125,
0
]
] | [
[
2.8003061624745644,
6.491596787474565,
0
],
[
6.491596787474565,
4.582275087525438,
0
],
[
4.582275087525438,
0.8909844625254365,
0
],
[
0.8909844625254365,
2.8003061624745644,
0
],
[
1.279277229434188,
4.970567854434189,
1.77540753
],
... | [
"Ni",
"Ni",
"Ni",
"Ni",
"Tm",
"Tm",
"Tm",
"Tm",
"In",
"In"
] | 0.024293 | -51.828957 |
agm003329810 | [
"In",
"Pb",
"Sm"
] | 8 | 3 | A3B3C2 | In3Pb3Sm2 | [
[
4.74041725,
0,
0
],
[
0,
4.95026774,
0
],
[
0,
0,
9.41910804
]
] | [
[
0,
0,
7.091172285417266
],
[
0,
0,
2.3279357545827337
],
[
2.370208625,
2.47513387,
7.139347820545131
],
[
2.370208625,
2.47513387,
2.279760219454868
],
[
0,
2.47513387,
0
],
[
0,
2.47513387,
4.70955402
],
[
2.3702... | [
"Sm",
"Sm",
"In",
"In",
"In",
"Pb",
"Pb",
"Pb"
] | 0.017484 | -31.863378 |
agm003705558 | [
"In",
"Pb",
"Sn"
] | 10 | 3 | A3BC | InPb3Sn | [
[
0,
6.002216,
0
],
[
2.185474663070665,
0,
-6.567862889336096
],
[
-7.692436836950534,
-3.001108,
0
]
] | [
[
-0.49115766528195404,
3.0011080000000003,
-2.9849709955244843
],
[
-5.0158045085979115,
7.631768464989362e-17,
-3.582891893811612
],
[
-2.736693218488154,
3.0011079999999994,
-5.494020131110688
],
[
-2.7702689553917126,
-9.691085709050642e-17,
-1.0738427... | [
"In",
"In",
"Sn",
"Sn",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb"
] | 0.055569 | -35.216996 |
agm005626376 | [
"In",
"Pb",
"Tl"
] | 12 | 3 | A7B3C2 | In3Pb2Tl7 | [
[
0,
-3.3424699,
0
],
[
-6.466351761781295,
0,
0
],
[
1.67057252714531,
0,
-16.879165255081563
]
] | [
[
-3.980086590618458,
-1.67123495,
-8.334533961034214
],
[
-0.8156926440175277,
-1.67123495,
-8.544631294047349
],
[
-0.2963672978073563,
0,
-14.055671322998768
],
[
0,
0,
0
],
[
-4.499411936828629,
0,
-2.823493932082796
],
[
-1.340... | [
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"In",
"In",
"In",
"Pb",
"Pb"
] | 0.053654 | -31.669326 |
agm006121258 | [
"In",
"Pd",
"Pr"
] | 10 | 3 | A5B4C | In4PdPr5 | [
[
3.6841787,
0,
0
],
[
0,
3.6841787,
0
],
[
0,
0,
21.024768860000023
]
] | [
[
1.84208935,
1.84208935,
1.7879005098582872
],
[
1.84208935,
1.84208935,
6.153225331787091
],
[
1.84208935,
1.84208935,
10.512384430000012
],
[
1.84208935,
1.84208935,
14.871543528212932
],
[
1.84208935,
1.84208935,
19.236868350141734
],... | [
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"In",
"In",
"In",
"In",
"Pd"
] | 0.016667 | -45.437323 |
agm005789543 | [
"In",
"Pd",
"Zr"
] | 6 | 3 | A3B2C | InPd2Zr3 | [
[
3.18919219,
0,
0
],
[
0,
3.18919219,
0
],
[
0,
0,
11.7756358
]
] | [
[
0,
0,
0
],
[
0,
0,
8.100951028589218
],
[
0,
0,
3.6746847714107815
],
[
1.594596095,
1.594596095,
5.8878179
],
[
1.594596095,
1.594596095,
9.995916016127435
],
[
1.594596095,
1.594596095,
1.7797197838725647
]
] | [
"Zr",
"Zr",
"Zr",
"In",
"Pd",
"Pd"
] | 0.078192 | -41.707925 |
agm006111392 | [
"In",
"Pr",
"Tl"
] | 12 | 3 | A6B5C | InPr6Tl5 | [
[
-3.2166243397365673,
0,
4.536012475400225
],
[
-6.386066236093811,
0,
-4.536012475400225
],
[
4.801345287915189,
-8.357425402693584,
0
]
] | [
[
-4.793478540093869,
-2.777734665321915,
-3.4046582517554285
],
[
-1.592587695999941,
-2.777734665321915,
-1.1313542236447962
],
[
-6.405965448172771,
-1.7531885610449302e-16,
-1.1398783890088187
],
[
1.6046201602575825,
-8.357425402693584,
1.139878389008... | [
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"In"
] | 0.003176 | -48.157865 |
agm005756328 | [
"In",
"Pt",
"Rh"
] | 8 | 3 | A6BC | InPt6Rh | [
[
0,
-4.004773098705762,
0
],
[
-4.474131198215417,
-2.002386549352881,
0
],
[
-0.8816704397824378,
-2.002386549352881,
-7.136286772388907
]
] | [
[
-2.6779008189989275,
-6.007159648058643,
-3.5681433861944534
],
[
-4.468572774152627,
-4.004773098705762,
-4.50473863552707
],
[
-1.753901788586411,
-4.004773098705762,
-5.383861942063988
],
[
-1.7889187034213794,
-2.002386549352881,
-0.8627916288068348
... | [
"In",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Rh"
] | 0.045139 | -47.584443 |
agm003617429 | [
"In",
"Rb",
"Sn"
] | 4 | 3 | A2BC | InRbSn2 | [
[
0,
-4.34878876,
0
],
[
-4.8980753482624175,
2.17439438,
0
],
[
1.5161964707121094,
0,
-7.196461008191764
]
] | [
[
0,
-2.17439438,
0
],
[
0.7580982353560546,
-2.4778644072271918e-33,
-3.598230504095882
],
[
-1.9491246367882038,
-3.490644405802638e-17,
-2.529205936551356
],
[
-1.4327542407621043,
-2.17439438,
-4.667255071640408
]
] | [
"Rb",
"In",
"Sn",
"Sn"
] | 0.076734 | -12.113588 |
agm001813186 | [
"In",
"Rb",
"Sr"
] | 4 | 3 | A2BC | InRbSr2 | [
[
4.17174664,
0,
0
],
[
0,
4.17174664,
0
],
[
0,
0,
11.51030535
]
] | [
[
0,
0,
9.600771590622038
],
[
0,
0,
1.9095337593779607
],
[
2.08587332,
2.08587332,
5.755152675
],
[
2.08587332,
2.08587332,
0
]
] | [
"Sr",
"Sr",
"Rb",
"In"
] | 0.097986 | -7.716249 |
agm005657611 | [
"In",
"Ru",
"Sm"
] | 4 | 3 | A2BC | InRuSm2 | [
[
3.42539458,
0,
0
],
[
0,
3.42539458,
0
],
[
0,
0,
8.56178205
]
] | [
[
0,
0,
6.831267983864
],
[
0,
0,
1.730514066136
],
[
1.71269729,
1.71269729,
4.280891025
],
[
1.71269729,
1.71269729,
0
]
] | [
"Sm",
"Sm",
"In",
"Ru"
] | 0.029478 | -22.886747 |
agm003449971 | [
"In",
"S",
"Sr"
] | 14 | 3 | A4B2C | In2S4Sr | [
[
3.97614237,
0,
0
],
[
-1.988071185,
6.49474698,
0
],
[
0,
0,
12.62436137
]
] | [
[
1.988071185,
1.3691887856393048,
9.468271027499998
],
[
4.914329080943957e-17,
5.125558194360695,
3.1560903424999998
],
[
-5.752772728427404e-17,
1.8013729555149798,
5.465746291172652
],
[
1.9880711849999997,
4.69337402448502,
11.777926976172653
],
[... | [
"Sr",
"Sr",
"In",
"In",
"In",
"In",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.068563 | -61.142369 |
agm003453815 | [
"In",
"S",
"Tm"
] | 14 | 3 | A4B2C | In2S4Tm | [
[
7.788607805426828,
0,
0
],
[
3.894303902713414,
4.03436808,
5.640939186867463
],
[
3.894303902713414,
-4.03436808,
5.640939186867463
]
] | [
[
0,
0,
0
],
[
3.894303902713414,
-4.440892098500626e-16,
5.640939186867463
],
[
7.788607805426827,
-2.01718404,
4.132708076677014
],
[
5.841455854070121,
2.0171840399999996,
2.820469593433731
],
[
9.735759756783535,
2.0171840399999996,
2.8... | [
"Tm",
"Tm",
"In",
"In",
"In",
"In",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 0.075094 | -67.119969 |
agm003423288 | [
"In",
"Sc",
"Tb"
] | 12 | 3 | A3B2C | In2ScTb3 | [
[
0,
0,
6.45805503
],
[
6.47292574,
0,
0
],
[
-3.23646287,
8.21684991,
-3.229027515
]
] | [
[
1.6239319141468167,
5.335852817940358,
-1.7254575475682257e-16
],
[
1.6125309558531833,
2.8809970920596424,
3.2290275150000007
],
[
4.860394784146817,
2.8809970920596424,
1.7254575475682257e-16
],
[
-1.6239319141468171,
5.335852817940358,
3.2290275150000... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Sc",
"Sc",
"In",
"In",
"In",
"In"
] | 0.078423 | -54.840123 |
agm004355091 | [
"In",
"Sr",
"Tl"
] | 4 | 3 | A2BC | InSr2Tl | [
[
4.0971691386395745,
0,
0
],
[
0,
5.684093145549413,
0
],
[
-2.0485845693197873,
-2.8420465727747066,
5.934453703113352
]
] | [
[
2.4083439634680655e-16,
2.8420465727747066,
2.636707927318076
],
[
2.0485845693197873,
2.842046572774706,
5.702963482574901
],
[
2.0485845693197873,
9.158916175097571e-17,
3.2115814247655172
],
[
2.0485845693197873,
2.8420465727747066,
0.3176544528791423... | [
"In",
"Sr",
"Sr",
"Tl"
] | 0.099681 | -9.811169 |
agm005817702 | [
"In",
"Tl",
"Tm"
] | 10 | 3 | A3BC | InTlTm3 | [
[
0,
0,
4.96526893
],
[
4.967037161247518,
0,
0
],
[
-2.483518580623759,
10.972806407004375,
0
]
] | [
[
2.4835185806237585,
9.747479370033847,
3.7239516974999995
],
[
2.483518580623759,
1.2346346102772028,
3.7239516974999995
],
[
2.483518580623759,
5.488645935403717,
3.7239516974999995
],
[
-5.399474693010583e-18,
9.738171796727173,
1.2413172325
],
[
... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tl",
"Tl",
"In",
"In"
] | 0.035752 | -40.132336 |
agm005884515 | [
"Ir",
"Li",
"Rh"
] | 14 | 3 | A3B3C | Ir3LiRh3 | [
[
0,
0,
-4.39240587
],
[
-3.5836641980717365,
-6.207088468325824,
0
],
[
-3.5836641980717365,
6.207088468325824,
0
]
] | [
[
-3.583664198071737,
-2.069029489441942,
-3.2943044025
],
[
-3.5836641980717365,
2.0690294894419425,
-1.0981014675000005
],
[
-4.626024606518638,
3.214160509473407,
-3.2943044025
],
[
-4.0541965478571225,
0.5937533858120685,
-3.2943044025
],
[
-2.... | [
"Li",
"Li",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 0.08146 | -101.352346 |
agm005671668 | [
"Ir",
"Li",
"Zn"
] | 18 | 3 | A4B3C2 | Ir3Li4Zn2 | [
[
0,
0,
5.11289990228985
],
[
7.378035940226743,
0,
0
],
[
-3.6890179701133716,
6.400385894788474,
0
]
] | [
[
-2.498711426707595,
6.31901337264176,
2.556449951144925
],
[
1.1903065434057758,
0.08137252214671366,
0
],
[
6.187729396820967,
0.08137252214671421,
2.556449951144925
],
[
2.4987114267075947,
6.31901337264176,
0
],
[
1.2600628482258853,
4.273... | [
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Zn",
"Zn",
"Zn",
"Zn",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir"
] | 0.08309 | -77.004285 |
agm005898254 | [
"Ir",
"Na",
"Sr"
] | 11 | 3 | A8B2C | IrNa2Sr8 | [
[
-2.4135230480006666,
0,
6.546602486859403
],
[
0,
-8.33415034636143,
0
],
[
9.944722129419452,
4.167075173180715,
0
]
] | [
[
3.845255538867033,
-4.167075173180715,
3.1919601003266234
],
[
3.685943542551753,
-7.683302247428842e-17,
3.3546423865327792
],
[
0.4920214889312753,
-6.258093159755952,
1.9832202287763268
],
[
0.4920214889312753,
-2.076057186605477,
1.9832202287763268
... | [
"Na",
"Na",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Ir"
] | 0.062359 | -25.411042 |
agm005004616 | [
"In",
"Pd",
"Sr",
"Zn"
] | 5 | 4 | A2BCD | InPdSrZn2 | [
[
4.3663852,
0,
0
],
[
0,
4.389483,
0
],
[
-2.1831926,
-2.1947415,
5.86646316
]
] | [
[
-2.1196683270375168e-17,
9.483925320850518e-17,
5.164604670025181
],
[
2.1831926,
4.405905570592948e-17,
2.342091729213336
],
[
-6.992744500166726e-18,
-3.687844845899237e-17,
0.5673800883423501
],
[
5.227338431541284e-17,
2.1947415,
2.265175064106785
... | [
"Sr",
"Zn",
"Zn",
"In",
"Pd"
] | 0.065958 | -14.214772 |
agm003537524 | [
"Cd",
"Ni",
"Y"
] | 12 | 3 | A9B2C | Cd2Ni9Y | [
[
-2.4510530147535876,
-4.245348353598082,
0
],
[
-4.902106029507175,
0,
0
],
[
-2.4510530147535876,
-1.4151161178660274,
-7.914989929999999
]
] | [
[
-2.7857006442510346e-16,
-5.3925376908304224e-18,
0
],
[
-2.451053014753587,
-1.4151161178660276,
-4.520017335969963
],
[
-7.353159044260763,
-4.245348353598081,
-3.3949725940300373
],
[
-4.902106029507175,
-2.830232235732055,
-7.905561831445079
],
[... | [
"Y",
"Cd",
"Cd",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 0.016982 | -62.255919 |
agm005895817 | [
"Dy",
"Tm",
"Zn"
] | 10 | 3 | A3BC | DyTmZn3 | [
[
-3.58399203739679,
0,
0
],
[
0,
0,
-4.45106827
],
[
1.791996018698395,
-13.286200384417103,
0
]
] | [
[
-1.1182871439716701e-17,
-1.9538840405248226,
-3.3383012025000003
],
[
-1.7919960186983948,
-11.33231634389228,
-1.1127670675
],
[
-1.7919960186983948,
-7.713113906231858,
-3.3383012025000003
],
[
-1.2987699398138434e-17,
-5.573086478185245,
-1.112767067... | [
"Dy",
"Dy",
"Tm",
"Tm",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn"
] | 0.03068 | -29.21409 |
agm003172467 | [
"Ba",
"Sr",
"Zn"
] | 4 | 3 | A2BC | BaSrZn2 | [
[
0,
0,
4.008109843340388
],
[
5.680369523306584,
0,
0
],
[
0,
5.680369523306584,
0
]
] | [
[
0,
0,
0
],
[
2.840184761653292,
0,
2.004054921670194
],
[
0,
2.840184761653292,
2.004054921670194
],
[
2.840184761653292,
2.840184761653292,
0
]
] | [
"Sr",
"Zn",
"Zn",
"Ba"
] | 0.03768 | -6.780436 |
mp-861928 | [
"Eu",
"Hg",
"Mg"
] | 4 | 3 | A2BC | EuHg2Mg | [
[
-3.7047024250253773,
-3.7047024250253773,
0
],
[
-3.7047024250253773,
0,
-3.7047024250253773
],
[
0,
-3.7047024250253773,
-3.7047024250253773
]
] | [
[
-3.7047024250253773,
-3.7047024250253773,
-3.7047024250253773
],
[
0,
0,
0
],
[
-5.557053637538066,
-5.557053637538066,
-5.557053637538066
],
[
-1.8523512125126886,
-1.852351212512689,
-1.852351212512689
]
] | [
"Eu",
"Mg",
"Hg",
"Hg"
] | 0.000632 | -14.207366 |
agm001225265 | [
"Eu",
"Sm",
"Tl"
] | 4 | 3 | A2BC | EuSm2Tl | [
[
0,
0,
4.88757344
],
[
5.03807516,
0,
0
],
[
0,
5.03807516,
0
]
] | [
[
2.51903758,
2.51903758,
2.4437867199999994
],
[
0,
0,
2.4437867199999994
],
[
0,
2.51903758,
0
],
[
2.51903758,
0,
0
]
] | [
"Eu",
"Tl",
"Sm",
"Sm"
] | 0.054581 | -22.728941 |
agm004935180 | [
"Ir",
"K",
"O",
"Pr"
] | 10 | 4 | A6B2CD | IrK2O6Pr | [
[
-3.485106627257477,
0,
4.936606000175787
],
[
0,
-6.043232050008377,
0
],
[
5.236363729570902,
3.0216160250041884,
0
]
] | [
[
0.004121346099016954,
-3.0216160250041884,
3.7026996273027786
],
[
1.7471357562144083,
5.3410134699695434e-17,
1.233906372873008
],
[
3.4938104159421637,
-3.0216160250041884,
2.4683030000878934
],
[
0,
-3.0216160250041884,
0
],
[
2.52857747582044... | [
"K",
"K",
"Pr",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 0 | -123.997453 |
agm001233111 | [
"Eu",
"Sn",
"Zn"
] | 4 | 3 | A2BC | Eu2SnZn | [
[
0,
0,
3.86179221
],
[
5.47739856,
0,
0
],
[
0,
5.47739856,
0
]
] | [
[
0,
2.73869928,
0
],
[
2.73869928,
0,
0
],
[
2.73869928,
2.73869928,
1.930896105
],
[
0,
0,
1.930896105
]
] | [
"Eu",
"Eu",
"Zn",
"Sn"
] | 0.046203 | -27.744877 |
agm004934254 | [
"Ir",
"K",
"O",
"Y"
] | 10 | 4 | A6B2CD | IrK2O6Y | [
[
-4.166930107955885,
-4.166930107955885,
0
],
[
-4.166930107955885,
0,
-4.166930107955885
],
[
0,
-4.166930107955885,
-4.166930107955885
]
] | [
[
-6.250395161933827,
-6.250395161933827,
-6.250395161933827
],
[
-2.0834650539779425,
-2.0834650539779425,
-2.0834650539779425
],
[
-4.166930107955885,
-4.166930107955885,
-4.166930107955885
],
[
0,
0,
0
],
[
-4.166930107955885,
-1.91830836245... | [
"K",
"K",
"Y",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 0 | -64.299151 |
agm005019038 | [
"Ir",
"La",
"Os",
"Si"
] | 5 | 4 | A2BCD | IrLaOsSi2 | [
[
4.20107833,
0,
0
],
[
0,
4.20107833,
0
],
[
-2.100539165,
-2.100539165,
5.06335258
]
] | [
[
0,
0,
0
],
[
2.100539165,
2.100539165,
1.3339701616147457
],
[
-1.4931558382840531e-16,
7.272902109662599e-17,
3.7293824183852533
],
[
2.100539165,
-1.0544125766953628e-16,
2.5316762899999996
],
[
-1.0544125766953628e-16,
2.100539165,
2.5... | [
"La",
"Si",
"Si",
"Ir",
"Os"
] | 0.00282 | -40.338502 |
agm005017555 | [
"Ir",
"La",
"Ta",
"Ti"
] | 5 | 4 | A2BCD | Ir2LaTaTi | [
[
4.41145859,
0,
0
],
[
0,
4.41145859,
0
],
[
-2.205729295,
-2.205729295,
5.35500683
]
] | [
[
0,
0,
0
],
[
-2.220446049250313e-16,
2.2057292950000003,
2.677503415
],
[
2.2057292950000003,
0,
2.677503415
],
[
2.205729295,
2.205729295,
1.3449457368001245
],
[
1.069569110282359e-16,
1.069569110282359e-16,
4.010061093199876
]
] | [
"La",
"Ta",
"Ti",
"Ir",
"Ir"
] | 0 | -45.993566 |
agm005868896 | [
"Ge",
"Ho",
"Pd"
] | 10 | 3 | A7B2C | Ge2HoPd7 | [
[
4.091063522171682,
0,
0
],
[
0,
4.091063522171682,
0
],
[
-2.045531761085841,
-2.045531761085841,
10.20040721951803
]
] | [
[
0,
0,
0
],
[
2.045531761085841,
2.045531761085841,
3.557606022350379
],
[
-5.127227842620881e-18,
-5.127227842620881e-18,
6.6428011971676515
],
[
2.613051728027916e-18,
2.045531761085841,
2.1127778080797404
],
[
2.441989222895324e-18,
2.04553... | [
"Ho",
"Ge",
"Ge",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 0.023793 | -56.709815 |
agm005022226 | [
"Ir",
"Li",
"Os",
"P"
] | 5 | 4 | A2BCD | IrLiOsP2 | [
[
4.04271473,
0,
0
],
[
0,
4.04271473,
0
],
[
-2.021357365,
-2.021357365,
4.62233119
]
] | [
[
0,
0,
0
],
[
2.0213573650000005,
2.021357365,
1.1280293123929697
],
[
1.175020227242669e-16,
-1.045425822007644e-16,
3.4943018776070303
],
[
2.021357365,
0,
2.311165595
],
[
0,
2.021357365,
2.311165595
]
] | [
"Li",
"P",
"P",
"Ir",
"Os"
] | 0.086708 | -35.373316 |
agm005018438 | [
"Ir",
"Li",
"Si",
"Y"
] | 5 | 4 | A2BCD | IrLiSi2Y | [
[
4.04691719,
0,
0
],
[
0,
4.04691719,
0
],
[
-2.023458595,
-2.023458595,
5.05642793
]
] | [
[
2.023458595,
0,
2.528213965
],
[
0,
0,
0
],
[
2.023458595,
2.023458595,
1.1973949500412655
],
[
1.0211370815690372e-16,
1.0211370815690372e-16,
3.859032979958734
],
[
0,
2.023458595,
2.528213965
]
] | [
"Li",
"Y",
"Si",
"Si",
"Ir"
] | 0.011798 | -32.025985 |
agm002575795 | [
"Ba",
"Pt",
"Rb"
] | 5 | 3 | A3BC | Ba3PtRb | [
[
6.45661496,
0,
0
],
[
0,
6.45661496,
0
],
[
0,
0,
6.45661496
]
] | [
[
3.22830748,
3.22830748,
3.22830748
],
[
0,
3.22830748,
0
],
[
0,
0,
3.22830748
],
[
3.22830748,
0,
0
],
[
0,
0,
0
]
] | [
"Rb",
"Ba",
"Ba",
"Ba",
"Pt"
] | 0.063005 | -14.512018 |
agm003063744 | [
"F",
"Tl",
"Zn"
] | 10 | 3 | A3BC | F3TlZn | [
[
-2.8644809705728367,
-4.961426578346363,
0
],
[
-5.728961941145673,
0,
0
],
[
-2.8644809705728367,
-1.6538088594487876,
-5.76886399
]
] | [
[
-5.728961941145673,
-3.3076177188975753,
-5.0245971752053435
],
[
-5.728961941145673,
-3.307617718897575,
-0.7442668147946562
],
[
-2.8644809705728367,
-1.6538088594487879,
-2.9637059932913807
],
[
-8.59344291171851,
-4.961426578346363,
-2.80515799670862... | [
"Tl",
"Tl",
"Zn",
"Zn",
"F",
"F",
"F",
"F",
"F",
"F"
] | 0.039915 | -39.278094 |
agm005017532 | [
"Ir",
"Nd",
"Ti",
"Zn"
] | 5 | 4 | A2BCD | Ir2NdTiZn | [
[
4.08219053,
0,
0
],
[
0,
4.08219053,
0
],
[
-2.041095265,
-2.041095265,
5.75731131
]
] | [
[
0,
0,
0
],
[
2.041095265,
-1.0874105699221203e-16,
2.8786556549999998
],
[
-1.0874105699221203e-16,
2.041095265,
2.8786556549999998
],
[
2.041095265,
2.0410952650000005,
1.3008381220086986
],
[
2.3142101766592302e-17,
2.3142101766592302e-17,
... | [
"Nd",
"Ti",
"Zn",
"Ir",
"Ir"
] | 0.068671 | -34.829875 |
agm005907839 | [
"Pr",
"Sc",
"Tm"
] | 16 | 3 | A12B3C | Pr3ScTm12 | [
[
4.97778341,
0,
0
],
[
0,
4.97778341,
0
],
[
0,
0,
19.88265401
]
] | [
[
0,
0,
4.923856951388897
],
[
0,
0,
9.941327005
],
[
0,
0,
14.9587970586111
],
[
2.488891705,
2.488891705,
0
],
[
2.488891705,
2.488891705,
4.888482329853926
],
[
2.488891705,
2.488891705,
9.941327005
],
[
2.4888917... | [
"Pr",
"Pr",
"Pr",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Sc"
] | 0.039749 | -73.755332 |
agm002310847 | [
"Ru",
"Sn",
"Yb"
] | 12 | 3 | A3B2C | RuSn3Yb2 | [
[
-3.0176813844021027,
-5.226777478839229,
0
],
[
-3.0176813844021027,
5.226777478839229,
0
],
[
0,
0,
-8.84070401
]
] | [
[
0,
0,
-4.420352005
],
[
0,
0,
0
],
[
-3.017681384402103,
1.7422591596130765,
-0.47260016647377334
],
[
-3.017681384402103,
-1.7422591596130765,
-4.892952171473773
],
[
-3.0176813844021027,
1.7422591596130772,
-3.9477518385262265
],
[
... | [
"Ru",
"Ru",
"Yb",
"Yb",
"Yb",
"Yb",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 0.055776 | -54.47584 |
agm005020796 | [
"Ir",
"Ni",
"Sn",
"Sr"
] | 5 | 4 | A2BCD | IrNiSn2Sr | [
[
4.50610952,
0,
0
],
[
0,
4.50610952,
0
],
[
-2.25305476,
-2.25305476,
5.64138521
]
] | [
[
0,
0,
0
],
[
2.2530547600000004,
0,
2.820692605
],
[
2.25305476,
2.25305476,
1.5159925233276696
],
[
9.235686622190542e-17,
3.1440147114693673e-16,
4.125392686672329
],
[
-2.220446049250313e-16,
2.2530547600000004,
2.820692605
]
] | [
"Sr",
"Ni",
"Sn",
"Sn",
"Ir"
] | 0.089345 | -26.139462 |
agm003182469 | [
"Li",
"Pt",
"Zn"
] | 4 | 3 | A2BC | LiPt2Zn | [
[
2.81502682,
0,
0
],
[
0,
2.81502682,
0
],
[
0,
0,
7.19100661
]
] | [
[
1.40751341,
1.40751341,
0
],
[
0,
0,
5.397156366226189
],
[
0,
0,
1.7938502437738106
],
[
1.40751341,
1.40751341,
3.595503305
]
] | [
"Zn",
"Pt",
"Pt",
"Li"
] | 0.061389 | -17.439561 |
agm004964193 | [
"Ir",
"O",
"Pr",
"Rb"
] | 10 | 4 | A6B2CD | IrO6PrRb2 | [
[
-4.305312333086229,
-4.305312333086229,
0
],
[
-4.305312333086229,
0,
-4.305312333086229
],
[
0,
-4.305312333086229,
-4.305312333086229
]
] | [
[
-2.1526561665431134,
-2.152656166543114,
-2.152656166543114
],
[
-6.457968499629343,
-6.457968499629343,
-6.457968499629343
],
[
-4.305312333086229,
-4.305312333086229,
-4.305312333086229
],
[
0,
0,
0
],
[
-4.305312333086229,
-1.9253206067629... | [
"Rb",
"Rb",
"Pr",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 0 | -61.499425 |
agm004963924 | [
"Ir",
"O",
"Rb",
"Y"
] | 10 | 4 | A6B2CD | IrO6Rb2Y | [
[
-4.20663904344565,
-4.20663904344565,
0
],
[
-4.20663904344565,
0,
-4.20663904344565
],
[
0,
-4.20663904344565,
-4.20663904344565
]
] | [
[
-2.103319521722825,
-2.103319521722825,
-2.103319521722825
],
[
-6.309958565168475,
-6.309958565168475,
-6.309958565168475
],
[
-4.20663904344565,
-4.20663904344565,
-4.20663904344565
],
[
0,
0,
0
],
[
-4.20663904344565,
-1.928789517254282,
... | [
"Rb",
"Rb",
"Y",
"Ir",
"O",
"O",
"O",
"O",
"O",
"O"
] | 0.002993 | -63.603354 |
agm005007234 | [
"Ir",
"P",
"Rh",
"Sr"
] | 5 | 4 | A2BCD | IrP2RhSr | [
[
3.95908981,
0,
0
],
[
0,
3.95908981,
0
],
[
-1.979544905,
-1.979544905,
5.98562863
]
] | [
[
0,
0,
0
],
[
1.9795449049999998,
1.9795449049999998,
1.6819381813657703
],
[
1.2333177698702116e-16,
-9.871282793801015e-17,
4.30369044863423
],
[
1.979544905,
0,
2.992814315
],
[
0,
1.979544905,
2.992814315
]
] | [
"Sr",
"P",
"P",
"Ir",
"Rh"
] | 0.03347 | -33.14728 |
agm005018996 | [
"Ir",
"Pr",
"Rh",
"Si"
] | 5 | 4 | A2BCD | IrPrRhSi2 | [
[
4.12126541,
0,
0
],
[
0,
4.12126541,
0
],
[
-2.060632705,
-2.060632705,
5.12842185
]
] | [
[
0,
0,
0
],
[
2.060632705,
2.0606327049999993,
1.2875307174066783
],
[
-1.001107418670846e-17,
-1.001107418670846e-17,
3.840891132593323
],
[
2.0606327050000006,
0,
2.564210925
],
[
-2.220446049250313e-16,
2.0606327050000006,
2.564210925
... | [
"Pr",
"Si",
"Si",
"Ir",
"Rh"
] | 0 | -37.151803 |
agm004565922 | [
"Na",
"Rb",
"Sn",
"Zn"
] | 9 | 4 | A4B2C2D | Na4Rb2Sn2Zn | [
[
0.9984821397947726,
0,
-5.738763739707224
],
[
6.77915395000023,
4.0979290896107115,
0
],
[
6.77915395000023,
-4.0979290896107115,
0
]
] | [
[
5.826506669073131,
-3.7277494807246964e-16,
-4.127094094221751
],
[
8.730283370722098,
-9.649288379810378e-16,
-1.6116696454854729
],
[
9.486082937050696,
2.4538193262755734,
-4.5211935938219625
],
[
5.070707102744535,
2.4538193262755734,
-1.217570145885... | [
"Rb",
"Rb",
"Na",
"Na",
"Na",
"Na",
"Zn",
"Sn",
"Sn"
] | 0.076876 | -17.253408 |
agm005018995 | [
"Ir",
"Rh",
"Si",
"Sm"
] | 5 | 4 | A2BCD | IrRhSi2Sm | [
[
4.09578795,
0,
0
],
[
0,
4.09578795,
0
],
[
-2.047893975,
-2.047893975,
5.05529291
]
] | [
[
0,
0,
0
],
[
2.047893975,
2.047893975,
1.2456056200990206
],
[
7.965534299338373e-17,
3.0169994791841504e-16,
3.809687289900979
],
[
2.047893975,
0,
2.527646455
],
[
0,
2.047893975,
2.527646455
]
] | [
"Sm",
"Si",
"Si",
"Ir",
"Rh"
] | 0 | -37.252001 |
agm005004478 | [
"Ba",
"Ga",
"Hg",
"In"
] | 5 | 4 | A2BCD | BaGaHgIn2 | [
[
4.87532417,
0,
0
],
[
0,
4.91134532,
0
],
[
-2.437662085,
-2.45567266,
6.04198358
]
] | [
[
2.437662085,
2.45567266,
0.7515959309449046
],
[
2.437662085,
-1.0347863460845018e-16,
3.7026731496282785
],
[
2.4376620850000004,
2.4556726599999994,
5.3103684283343195
],
[
2.7390961965114945e-17,
2.4556726600000003,
3.680222467881384
],
[
-4.9... | [
"Ba",
"In",
"In",
"Ga",
"Hg"
] | 0.034291 | -12.532356 |
agm005010646 | [
"Ir",
"Rh",
"Sn",
"Sr"
] | 5 | 4 | A2BCD | IrRhSn2Sr | [
[
4.47503481,
0,
0
],
[
0,
4.47503481,
0
],
[
-2.237517405,
-2.237517405,
5.76715432
]
] | [
[
0,
0,
0
],
[
2.237517405,
2.237517405,
1.5023934709017812
],
[
2.0465617268149555e-17,
2.0465617268149555e-17,
4.264760849098219
],
[
2.237517405,
0,
2.88357716
],
[
0,
2.237517405,
2.88357716
]
] | [
"Sr",
"Sn",
"Sn",
"Ir",
"Rh"
] | 0.043769 | -28.480636 |
agm005018230 | [
"Ir",
"Ru",
"Si",
"Tb"
] | 5 | 4 | A2BCD | IrRuSi2Tb | [
[
4.13773281,
0,
0
],
[
0,
4.13773281,
0
],
[
-2.068866405,
-2.068866405,
4.88625233
]
] | [
[
0,
0,
0
],
[
2.0688664050000005,
2.068866405,
1.2396470046482815
],
[
-1.0807237677904312e-16,
-1.0807237677904312e-16,
3.646605325351717
],
[
2.0688664050000005,
-1.071994490398076e-16,
2.4431261649999994
],
[
-3.2924405396483893e-16,
2.0688... | [
"Tb",
"Si",
"Si",
"Ir",
"Ru"
] | 0 | -38.769091 |
agm001206621 | [
"Ga",
"Gd",
"Sm"
] | 4 | 3 | A2BC | GaGdSm2 | [
[
0,
0,
4.76784742
],
[
4.80714812,
0,
0
],
[
0,
4.80714812,
0
]
] | [
[
2.40357406,
2.40357406,
2.38392371
],
[
0,
0,
2.38392371
],
[
0,
2.40357406,
0
],
[
2.40357406,
0,
0
]
] | [
"Gd",
"Ga",
"Sm",
"Sm"
] | 0.06467 | -27.55548 |
agm005010578 | [
"Bi",
"Hg",
"In",
"Mg"
] | 10 | 4 | A2BCD | BiHg2InMg | [
[
0,
-4.79142959,
0
],
[
-6.674801449030459,
0,
0
],
[
2.7227426018238314,
0,
-8.440867426794572
]
] | [
[
-3.524902233836715,
-3.5935721925,
-6.004530397915733
],
[
-0.42715661336991184,
-1.1978573975,
-2.436337028878839
],
[
-0.3482060290364903,
-3.5935721925,
-7.078147369497811
],
[
-3.6038528181701364,
-1.1978573975,
-1.3627200572967606
],
[
-1.48... | [
"Mg",
"Mg",
"In",
"In",
"Hg",
"Hg",
"Hg",
"Hg",
"Bi",
"Bi"
] | 0.055985 | -18.095556 |
agm003205908 | [
"Br",
"Cs",
"Rb",
"Tl"
] | 10 | 4 | A6B2CD | Br6CsRb2Tl | [
[
-6.150606019451168,
-6.150606019451168,
0
],
[
-6.150606019451168,
0,
-6.150606019451168
],
[
0,
-6.150606019451168,
-6.150606019451168
]
] | [
[
-6.150606019451168,
-6.150606019451168,
-6.150606019451168
],
[
-3.075303009725584,
-3.075303009725584,
-3.075303009725584
],
[
-9.225909029176751,
-9.225909029176751,
-9.225909029176751
],
[
0,
0,
0
],
[
-6.150606019451168,
-9.52184014828146... | [
"Cs",
"Rb",
"Rb",
"Tl",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 0.098041 | -27.052633 |
agm004988746 | [
"C",
"Ce",
"Hg",
"Y"
] | 5 | 4 | A2BCD | CCe2HgY | [
[
4.933242735014067,
0,
0
],
[
0,
4.933242735014067,
0
],
[
0,
0,
4.968923843059155
]
] | [
[
0,
2.4666213675070336,
0
],
[
2.4666213675070336,
0,
0
],
[
0,
0,
2.4844619215295776
],
[
2.4666213675070336,
2.4666213675070336,
2.4844619215295776
],
[
0,
0,
0
]
] | [
"Ce",
"Ce",
"Y",
"Hg",
"C"
] | 0.024021 | -29.228423 |
agm005679890 | [
"Ga",
"Hg",
"In"
] | 11 | 3 | A5B3C3 | Ga3Hg3In5 | [
[
0,
0,
-3.09758849
],
[
-5.126586517514017,
-8.87950831773187,
0
],
[
-5.126586517514017,
8.87950831773187,
0
]
] | [
[
-5.126586517514018,
2.9598361059106235,
-1.548794245
],
[
-5.126586517514018,
-2.959836105910624,
-1.548794245
],
[
-7.06251477650755,
-2.6958013390676807e-16,
-1.548794245
],
[
-1.5953291292602423,
-2.7631911066733554,
-1.548794245
],
[
-1.59532... | [
"In",
"In",
"In",
"In",
"In",
"Ga",
"Ga",
"Ga",
"Hg",
"Hg",
"Hg"
] | 0.081519 | -22.875128 |
agm005022294 | [
"K",
"Li",
"Pb",
"Sb"
] | 5 | 4 | A2BCD | KLiPbSb2 | [
[
5.03789119,
0,
0
],
[
0,
5.03789119,
0
],
[
-2.518945595,
-2.518945595,
6.50695434
]
] | [
[
0,
0,
0
],
[
2.518945595,
0,
3.25347717
],
[
2.518945595,
2.518945595,
1.497969797714462
],
[
-4.685346238822347e-17,
-4.685346238822347e-17,
5.00898454228554
],
[
0,
2.518945595,
3.25347717
]
] | [
"K",
"Li",
"Sb",
"Sb",
"Pb"
] | 0.028188 | -16.645341 |
agm002151260 | [
"Ga",
"Ir",
"Sr"
] | 12 | 3 | A4BC | Ga4IrSr | [
[
0,
4.12307387,
0
],
[
0,
0,
7.34230457
],
[
7.92291793,
0,
0
]
] | [
[
1.9807294825,
0,
2.794220687798902
],
[
5.9421884474999995,
0,
4.548083882201097
],
[
1.9807294825,
0,
5.970216322825314
],
[
5.9421884474999995,
0,
1.3720882471746871
],
[
0,
0,
0
],
[
4.4981572671198435,
2.061536935,
2.2... | [
"Sr",
"Sr",
"Ir",
"Ir",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga"
] | 0.024869 | -51.146349 |
agm002158023 | [
"K",
"Li",
"Se",
"Zn"
] | 5 | 4 | A2BCD | KLiSe2Zn | [
[
4.14519643,
0,
0
],
[
0,
4.14519643,
0
],
[
-2.072598215,
-2.072598215,
6.97630867
]
] | [
[
2.072598215,
-1.0699229197053127e-16,
3.4881543349999995
],
[
0,
0,
0
],
[
-1.2841415945295838e-17,
-1.2841415945295838e-17,
4.95784735264653
],
[
2.072598215,
2.072598215,
2.0184613173534696
],
[
-1.0699229197053127e-16,
2.072598215,
3.4... | [
"Zn",
"K",
"Se",
"Se",
"Li"
] | 0.000626 | -16.625271 |
agm004740480 | [
"Nd",
"Tb",
"Tl",
"Tm"
] | 12 | 4 | A2B2CD | NdTb2Tl2Tm | [
[
-5.129294,
0,
0
],
[
0,
0,
-6.87970456
],
[
0,
-10.04448219,
0
]
] | [
[
-2.564647,
-0.46648071918206285,
-6.5212313621670965
],
[
0,
-1.8333168804223632,
-4.552215199015456
],
[
-2.564647,
-9.578001470817938,
-3.081379082167096
],
[
0,
-8.211165309577638,
-1.1123629190154556
],
[
0,
-4.572101844337672,
-0.288... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Nd",
"Nd",
"Tm",
"Tm",
"Tl",
"Tl",
"Tl",
"Tl"
] | 0.01053 | -49.667097 |
agm003228559 | [
"K",
"Mg",
"P",
"Se"
] | 11 | 4 | A6B2C2D | K2MgP2Se6 | [
[
-0.20578902286252054,
0,
6.583680591214686
],
[
4.212468434627589,
-6.819599335,
0
],
[
4.212468434627589,
6.819599335,
0
]
] | [
[
4.109573923196329,
4.41832634455548,
3.2918402956073427
],
[
4.109573923196329,
-4.418326344555479,
3.2918402956073427
],
[
4.212468434627589,
0,
0
],
[
3.027606962161565,
4.7320493933843006e-17,
2.9294037413005305
],
[
5.191540884231092,
8.3... | [
"K",
"K",
"Mg",
"P",
"P",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 0.002446 | -87.072668 |
agm004965041 | [
"Co",
"H",
"Na",
"Rb"
] | 10 | 4 | A6B2CD | CoH6NaRb2 | [
[
-4.06859106534377,
-4.06859106534377,
0
],
[
-4.06859106534377,
0,
-4.06859106534377
],
[
0,
-4.06859106534377,
-4.06859106534377
]
] | [
[
-2.034295532671885,
-2.0342955326718855,
-2.0342955326718855
],
[
-6.102886598015655,
-6.102886598015655,
-6.102886598015655
],
[
-4.06859106534377,
-4.06859106534377,
-4.06859106534377
],
[
0,
0,
0
],
[
-4.06859106534377,
-1.585855832308802,... | [
"Rb",
"Rb",
"Na",
"Co",
"H",
"H",
"H",
"H",
"H",
"H"
] | 0.026682 | -32.298522 |
agm004998918 | [
"Cs",
"K",
"Na",
"Rb"
] | 5 | 4 | A2BCD | CsK2NaRb | [
[
4.57687754,
0,
0
],
[
0,
7.76089481,
0
],
[
-2.28843877,
-3.880447405,
10.69310878
]
] | [
[
-8.946787706490795e-17,
1.0380111078761729e-16,
10.55569548858738
],
[
-5.150126872949841e-17,
-7.591310430480007e-17,
5.870259657884928
],
[
2.2884387699999995,
3.8804474050000004,
8.823839483647491
],
[
2.28843877,
3.880447405,
4.388965967982143
],
... | [
"Cs",
"K",
"K",
"Rb",
"Na"
] | 0.074218 | -5.058059 |
agm005009065 | [
"H",
"Pd",
"Sr",
"Zn"
] | 10 | 4 | A2BCD | HPd2SrZn | [
[
4.12341482,
0,
0
],
[
-2.06170741,
5.62643987,
0
],
[
0,
0,
7.3317929
]
] | [
[
1.6977657219115385e-17,
4.992459377176244,
5.498844675000001
],
[
2.06170741,
0.6339804928237553,
1.832948225
],
[
2.06170741,
2.4751458429920685,
5.498844675000001
],
[
1.7294821213203022e-16,
3.151294027007931,
1.832948225
],
[
0,
0,
0
... | [
"Sr",
"Sr",
"Zn",
"Zn",
"H",
"H",
"Pd",
"Pd",
"Pd",
"Pd"
] | 0.06127 | -38.929245 |
agm005795595 | [
"Li",
"Se",
"Ta"
] | 10 | 3 | A3BC | LiSe3Ta | [
[
-6.454824551725091,
0,
0
],
[
-3.2274122758625454,
-5.679828080000678,
0
],
[
-2.1632789288143734,
0,
6.343670018401515
]
] | [
[
-4.309051740269732,
-1.820937206122717,
3.1718350092007577
],
[
-7.536464016132277,
-3.858890873877961,
3.1718350092007577
],
[
-3.227412275862545,
-3.7874584024332707,
0
],
[
-6.454824551725091,
-1.8923696775674073,
0
],
[
-6.352709969530005,
... | [
"Li",
"Li",
"Ta",
"Ta",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 0.080739 | -56.622236 |
agm005002597 | [
"Ir",
"La",
"Li",
"Pb"
] | 10 | 4 | A2BCD | IrLa2LiPb | [
[
0,
-4.20188173,
0
],
[
-8.290087772937923,
0,
0
],
[
2.819961246523688,
0,
-7.885898583365471
]
] | [
[
-2.5980207927528647,
-1.0504704325,
-2.776416151467482
],
[
-2.8721057336613702,
-3.1514112975,
-5.10948243189799
],
[
0.09931231941100595,
-3.1514112975,
-2.6789011799192144
],
[
0.4913780243629312,
-3.1514112975,
-7.769895359165463
],
[
-5.5694... | [
"Li",
"Li",
"La",
"La",
"La",
"La",
"Ir",
"Ir",
"Pb",
"Pb"
] | 0.045654 | -54.512605 |
agm001269939 | [
"Li",
"Sm",
"Tl"
] | 3 | 3 | ABC | LiSmTl | [
[
0,
0,
-3.50133341
],
[
-2.4959158940375215,
-4.323053139891685,
0
],
[
-2.4959158940375215,
4.323053139891685,
0
]
] | [
[
0,
0,
-1.750666705
],
[
-2.4959158940375215,
-1.4410177132972286,
0
],
[
-2.495915894037522,
1.4410177132972284,
-1.750666705
]
] | [
"Tl",
"Sm",
"Li"
] | 0.011383 | -9.846189 |
mp-8696 | [
"K",
"Na",
"O",
"Se"
] | 14 | 4 | A8B3C2D | K3NaO8Se2 | [
[
-2.990781866808077,
-5.180186147667284,
0
],
[
-2.990781866808077,
5.180186147667284,
0
],
[
0,
0,
-7.66845555
]
] | [
[
-4.351791258543064,
0.9409495772012924,
-1.5042616480820983
],
[
-1.6297724750730913,
0.9409495772012921,
-1.5042616480820983
],
[
-2.990781866808078,
3.2982869932647008,
-1.5042616480820983
],
[
-4.351791258543063,
-0.9409495772012927,
-6.16419390191790... | [
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"Na",
"K",
"K",
"K",
"Se",
"Se"
] | 0.003655 | -70.793528 |
agm001220925 | [
"Gd",
"Hg",
"Rh"
] | 4 | 3 | A2BC | GdHgRh2 | [
[
0,
0,
3.78904287
],
[
4.41303007,
0,
0
],
[
0,
4.41303007,
0
]
] | [
[
2.206515035,
2.206515035,
1.894521435
],
[
0,
2.206515035,
0
],
[
2.206515035,
0,
0
],
[
0,
0,
1.894521435
]
] | [
"Gd",
"Rh",
"Rh",
"Hg"
] | 0.029404 | -31.153408 |
agm001124464 | [
"Lu",
"Nd",
"Y"
] | 4 | 3 | A2BC | Lu2NdY | [
[
4.06054299,
0,
0
],
[
0,
4.06054299,
0
],
[
0,
0,
7.7348885
]
] | [
[
2.030271495,
2.030271495,
3.86744425
],
[
0,
0,
5.757622897538135
],
[
0,
0,
1.9772656024618651
],
[
2.030271495,
2.030271495,
0
]
] | [
"Y",
"Lu",
"Lu",
"Nd"
] | 0.098952 | -19.898486 |
agm001226136 | [
"Gd",
"Hg",
"Sn"
] | 4 | 3 | A2BC | Gd2HgSn | [
[
0,
0,
4.11268489
],
[
5.10489135,
0,
0
],
[
0,
5.10489135,
0
]
] | [
[
0,
2.552445675,
0
],
[
2.552445675,
0,
0
],
[
2.552445675,
2.552445675,
2.056342445
],
[
0,
0,
2.056342445
]
] | [
"Gd",
"Gd",
"Hg",
"Sn"
] | 0.017074 | -34.957381 |
agm001940959 | [
"Lu",
"P",
"Sn"
] | 4 | 3 | A2BC | Lu2PSn | [
[
-1.9228444448040989,
-3.330464273452269,
0
],
[
-3.8456888896081978,
0,
0
],
[
-1.9228444448040989,
-1.110154757817423,
-7.580752349999999
]
] | [
[
-5.768533334412297,
-3.330464273452269,
-8.416325802951262e-16
],
[
-1.9228444448040984,
-1.110154757817423,
-1.548499435465539
],
[
-5.768533334412297,
-3.3304642734522685,
-6.032252914534462
],
[
-3.845688889608198,
-2.220309515634846,
-3.7903761750000... | [
"P",
"Lu",
"Lu",
"Sn"
] | 0.02491 | -22.752405 |
agm005014554 | [
"La",
"Mg",
"Sm",
"Tb"
] | 10 | 4 | A2BCD | LaMgSm2Tb | [
[
0,
-5.69469275,
0
],
[
-6.265571668318875,
0,
0
],
[
3.0736085603187244,
0,
-9.002311626822122
]
] | [
[
-4.1735198319630555,
-4.271019562499999,
-5.491195927367891
],
[
0.9815567239629039,
-1.4236731875,
-3.5111156994542303
],
[
-5.255476274530848,
-1.4236731875,
-0.027408077886557324
],
[
2.0635131665306963,
-4.271019562499999,
-8.974903548935565
],
[... | [
"La",
"La",
"Tb",
"Tb",
"Sm",
"Sm",
"Sm",
"Sm",
"Mg",
"Mg"
] | 0.065577 | -41.002806 |
mp-1224492 | [
"Hf",
"In",
"Pd"
] | 4 | 3 | A2BC | HfInPd2 | [
[
3.39113226,
0,
0
],
[
0,
3.39113226,
0
],
[
0,
0,
6.48455367
]
] | [
[
0,
0,
0
],
[
0,
0,
3.242276835
],
[
1.69556613,
1.69556613,
1.465993590424686
],
[
1.69556613,
1.69556613,
5.018560079575314
]
] | [
"Hf",
"In",
"Pd",
"Pd"
] | 0.043 | -25.656765 |
agm002153030 | [
"Dy",
"H"
] | 3 | 2 | A2B | DyH2 | [
[
1.8324366462506996,
1.8324366462506996,
2.5861769189246577
],
[
1.8324366462506996,
-1.8324366462506996,
-2.5861769189246577
],
[
-1.8324366462506996,
1.8324366462506996,
-2.5861769189246577
]
] | [
[
0,
1.8324366462506996,
-1.2930884594623289
],
[
1.8324366462506994,
0,
-1.2930884594623289
],
[
0,
0,
0
]
] | [
"H",
"H",
"Dy"
] | 0.000466 | -13.444018 |
agm004014979 | [
"Eu",
"Sm"
] | 4 | 2 | A3B | EuSm3 | [
[
5.188668909999999,
0,
0
],
[
0,
5.188668909999999,
0
],
[
0,
0,
5.188668909999999
]
] | [
[
0,
0,
0
],
[
2.5943344549999994,
0,
2.5943344549999994
],
[
0,
2.5943344549999994,
2.5943344549999994
],
[
2.5943344549999994,
2.5943344549999994,
0
]
] | [
"Eu",
"Sm",
"Sm",
"Sm"
] | 0.070836 | -24.148525 |
agm003164234 | [
"Fe",
"Pt"
] | 4 | 2 | A3B | Fe3Pt | [
[
2.613874053252608,
0,
0
],
[
0,
4.10024193,
0
],
[
-1.0331552864554203,
0,
4.886001835438382
]
] | [
[
1.0880097473491044,
0,
3.7366622002261742
],
[
0.49270901944808354,
0,
1.1493396352122078
],
[
1.306937026626304,
2.050120965,
0
],
[
-0.5165776432277102,
2.050120965,
2.443000917719191
]
] | [
"Fe",
"Fe",
"Fe",
"Pt"
] | 0.061436 | -31.698449 |
agm2000130762 | [
"I",
"Sc",
"Se"
] | 10 | 3 | A2B2C | I2ScSe2 | [
[
7.6228303,
0,
0
],
[
-3.81141515,
6.78329807,
0
],
[
1.147990215839421e-15,
0,
18.74810299
]
] | [
[
5.318429338321041,
2.9856819407747164,
11.215320125383679
],
[
-1.5070141883210388,
3.7976161292252835,
7.532782864616321
],
[
2.3044009616789607,
2.9856819407747164,
7.532782864616321
],
[
1.5070141883210395,
3.7976161292252835,
11.215320125383679
],
... | [
"I",
"I",
"I",
"I",
"Sc",
"Sc",
"Se",
"Se",
"Se",
"Se"
] | 0.070298 | -41.643758 |
agm005015135 | [
"O",
"Pb",
"Tb",
"Tm"
] | 5 | 4 | A2BCD | O2PbTbTm | [
[
3.82585019,
0,
0
],
[
0,
3.82585019,
0
],
[
-1.912925095,
-1.912925095,
7.06609253
]
] | [
[
1.9129250949999994,
1.9129250949999994,
4.664017194947228
],
[
-5.211206404588037e-17,
-5.211206404588037e-17,
2.435467497860861
],
[
1.9129250949999996,
1.9129250949999996,
0.025295551343518505
],
[
1.9129250949999994,
-2.467667247858429e-16,
3.50370961... | [
"Tb",
"Tm",
"Pb",
"O",
"O"
] | 0.009621 | -35.608036 |
agm003427927 | [
"Cd",
"Pb",
"Sr"
] | 12 | 3 | A3B2C | Cd3PbSr2 | [
[
-4.017148791451828,
-5.133940230292141,
0
],
[
-4.017148791451828,
5.133940230292141,
0
],
[
4.017148791451828,
0,
-8.88936838
]
] | [
[
-2.008574395725915,
-2.56697011514607,
-4.44468419
],
[
-6.013445615497917,
5.236166447772559e-17,
0
],
[
-2.008574395725914,
2.5669701151460704,
-4.44468419
],
[
-2.0208519674057404,
-5.236166447772559e-17,
0
],
[
8.379455775975542e-17,
-2.5... | [
"Sr",
"Sr",
"Sr",
"Sr",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Pb",
"Pb"
] | 0.013032 | -24.260116 |
agm003175322 | [
"Cd",
"Pb",
"Tl"
] | 4 | 3 | A2BC | Cd2PbTl | [
[
3.6365312998936896,
0,
0
],
[
0,
5.691246924475738,
0
],
[
-1.8182656499468448,
-2.845623462237869,
5.384125757969079
]
] | [
[
1.8182656499468448,
0,
0
],
[
0,
2.845623462237869,
0
],
[
1.8182656499468448,
2.845623462237869,
2.678962762602824
],
[
5.485796450220159e-17,
-8.306717331157941e-17,
2.705162995366255
]
] | [
"Pb",
"Tl",
"Cd",
"Cd"
] | 0.088204 | -7.590533 |
mp-1027424 | [
"Mo",
"S",
"Se",
"Te",
"W"
] | 12 | 5 | A4B3C2D2E | Mo3S4Se2Te2W | [
[
-1.6529325300324538,
-2.8629631234995787,
0
],
[
-1.6529325300324538,
2.8629631234995787,
0
],
[
0,
0,
-37.61625739014036
]
] | [
[
0,
0,
-10.967753359114532
],
[
0,
0,
-14.794372091484679
],
[
0,
0,
-34.083715410957424
],
[
-1.6529325300324538,
-0.9543210411665266,
-27.015627794438956
],
[
-1.6529325300324538,
-0.9543210411665266,
-12.880414785266058
],
[
0,
... | [
"Te",
"Te",
"Mo",
"Mo",
"Mo",
"W",
"Se",
"Se",
"S",
"S",
"S",
"S"
] | 0.05638 | -82.549177 |
agm003202922 | [
"Cs",
"Hg"
] | 6 | 2 | A2B | CsHg2 | [
[
5.635902307544106,
0,
0
],
[
2.817951153772053,
4.492653944495771,
4.835097219370594
],
[
2.817951153772053,
-4.492653944495771,
4.835097219370594
]
] | [
[
2.817951153772053,
-2.2463269722478856,
4.312674925117875
],
[
8.45385346131616,
2.2463269722478856,
5.357519513623313
],
[
2.817951153772053,
0.6069605130529823,
1.6114184763149009
],
[
8.45385346131616,
-0.6069605130529824,
8.058775962426287
],
[
... | [
"Cs",
"Cs",
"Hg",
"Hg",
"Hg",
"Hg"
] | 0 | -4.545902 |
agm005678715 | [
"Ge",
"Ho",
"Pd"
] | 16 | 3 | A2BC | Ge2HoPd | [
[
0,
0,
-5.86719756
],
[
0,
-6.5545091,
0
],
[
-7.97415386,
0,
0
]
] | [
[
-0.18792090340322598,
-4.915881825,
-3.781827921341711
],
[
-3.799156026596776,
-1.6386272750000006,
-0.8482291413417118
],
[
-7.786232956596775,
-1.6386272750000006,
-2.085369638658289
],
[
-4.174997833403225,
-4.915881825,
-5.018968418658289
],
[
... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Pd",
"Pd",
"Pd",
"Pd"
] | 0.067494 | -86.944053 |
agm004973097 | [
"K",
"O",
"Sc",
"Se"
] | 10 | 4 | A6B2CD | KO6ScSe2 | [
[
-2.749061010657907,
-4.761513343566142,
0
],
[
-5.498122021315814,
0,
0
],
[
-2.749061010657907,
-1.587171114522047,
-6.199002089999999
]
] | [
[
-2.749061010657907,
-4.761513343566142,
0
],
[
-5.498122021315815,
-3.174342229044094,
-3.0995010450000007
],
[
-2.7490610106579076,
-1.5871711145220473,
-1.2141398968085282
],
[
-8.247183031973723,
-4.761513343566141,
-4.9848621931914705
],
[
-7... | [
"K",
"Sc",
"Se",
"Se",
"O",
"O",
"O",
"O",
"O",
"O"
] | 0.047368 | -60.869027 |
agm004944432 | [
"K",
"O",
"Si",
"Tb"
] | 20 | 4 | A6B2CD | KO6Si2Tb | [
[
1.193483644854833,
0,
-5.333077423255526
],
[
5.177099853283448,
4.970066893484834,
0
],
[
5.177099853283448,
-4.970066893484834,
0
]
] | [
[
6.072212586924572,
3.222974466491715,
-3.9998080674416445
],
[
5.475470764497156,
-3.222974466491715,
-1.3332693558138815
],
[
6.0722125869245716,
-1.157670325800421,
-3.9998080674416445
],
[
5.475470764497155,
1.1576703258004206,
-1.3332693558138815
]... | [
"K",
"K",
"Tb",
"Tb",
"Si",
"Si",
"Si",
"Si",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 0.015605 | -150.730874 |
agm004477561 | [
"Cs",
"I"
] | 10 | 2 | A4B | CsI4 | [
[
9.18094729,
0,
0
],
[
0,
9.18094729,
0
],
[
-4.590473645,
-4.590473645,
6.60000398
]
] | [
[
-8.881784197001252e-16,
4.590473645000001,
3.30000199
],
[
4.590473644999999,
-4.440892098500626e-16,
3.30000199
],
[
4.590473644999999,
4.590473644999999,
0
],
[
0,
0,
0
],
[
4.5904736449999985,
4.590473644999998,
2.9365640588360487
],... | [
"Cs",
"Cs",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I"
] | 0.079616 | -19.89924 |
agm003162529 | [
"As",
"Pb"
] | 4 | 2 | AB | AsPb | [
[
-1.803132606784603,
-3.123117287735046,
0
],
[
-1.803132606784603,
3.123117287735046,
0
],
[
0,
0,
-10.3128285
]
] | [
[
-1.8031326067846032,
1.0410390959116822,
-6.480443546882956
],
[
-1.8031326067846027,
-1.0410390959116813,
-3.8323849531170446
],
[
-1.8031326067846032,
1.0410390959116822,
-0.7029708608539497
],
[
-1.8031326067846027,
-1.0410390959116813,
-9.60985763914... | [
"Pb",
"Pb",
"As",
"As"
] | 0.091791 | -16.541589 |
agm003162910 | [
"Au",
"Tl"
] | 4 | 2 | A3B | Au3Tl | [
[
3.57762716,
0,
0
],
[
0,
3.86784998,
0
],
[
0,
0,
5.899958809999999
]
] | [
[
0,
0,
0
],
[
1.78881358,
1.93392499,
4.352106622182494
],
[
0,
0,
2.9499794049999997
],
[
1.78881358,
1.93392499,
1.5478521878175053
]
] | [
"Tl",
"Au",
"Au",
"Au"
] | 0.093395 | -11.901445 |
agm001125522 | [
"Cd",
"Hg",
"Na"
] | 4 | 3 | A2BC | CdHgNa2 | [
[
3.75280988,
0,
0
],
[
0,
3.75280988,
0
],
[
0,
0,
7.48735579
]
] | [
[
0,
0,
5.655445413456912
],
[
0,
0,
1.8319103765430877
],
[
1.87640494,
1.87640494,
0
],
[
1.87640494,
1.87640494,
3.743677895
]
] | [
"Na",
"Na",
"Hg",
"Cd"
] | 0.025561 | -4.490778 |
agm001418030 | [
"B",
"Er"
] | 4 | 2 | AB | BEr | [
[
0,
3.1790173100000008,
0
],
[
3.5096861998392725,
0,
0
],
[
-1.747374594403272,
0,
-6.325658200026056
]
] | [
[
-0.000652803923434477,
0.7947543275000002,
-0.3088093346077182
],
[
1.7629644093594354,
2.3842629825000006,
-6.016848865418337
],
[
0.0062855470161390795,
0.7947543275000002,
-4.7327010949887915
],
[
1.7560260584198617,
2.3842629825000006,
-1.59295710503... | [
"B",
"B",
"Er",
"Er"
] | 0.059473 | -24.124499 |
agm003162921 | [
"Ba",
"Ca"
] | 4 | 2 | A3B | BaCa3 | [
[
0,
0,
3.8993546894770663
],
[
6.3955165512789005,
-3.6924532024875796,
-1.2997848964923555
],
[
0,
7.384906404975159,
-1.2997848964923555
]
] | [
[
6.3955165512789,
-7.857447589757193e-16,
-4.496761469032181e-16
],
[
3.1977582756394516,
1.846226601243789,
-1.2997848964923555
],
[
3.19775827563945,
5.538679803731369,
-7.773949301044741e-17
],
[
6.3955165512789,
3.692453202487579,
1.2997848964923553
... | [
"Ca",
"Ca",
"Ca",
"Ba"
] | 0.041384 | -7.767402 |
agm005003923 | [
"K",
"Pb",
"Sn",
"Tl"
] | 5 | 4 | A2BCD | KPbSn2Tl | [
[
4.44060937,
0,
0
],
[
0,
5.43268096,
0
],
[
-2.220304685,
-2.71634048,
7.22032613
]
] | [
[
-3.7343843976276497e-17,
-1.8815633387384875e-17,
6.39523000419429
],
[
2.2203046850000003,
2.71634048,
4.819138298980048
],
[
2.220304685,
-4.3105492677921116e-17,
2.9394952022594687
],
[
-1.2139613293566492e-17,
-2.1362990303202875e-17,
0.8887207010208... | [
"K",
"Tl",
"Sn",
"Sn",
"Pb"
] | 0.06817 | -15.63606 |
agm003162994 | [
"Ba",
"Li"
] | 4 | 2 | AB | BaLi | [
[
5.044253529341655,
0,
0
],
[
0,
5.25088439,
0
],
[
-2.508068060098609,
0,
6.772048968270018
]
] | [
[
2.533580961577655,
3.9381632925000005,
4.814690065608051
],
[
0.002604507665391418,
1.3127210975,
1.957358902661967
],
[
2.5213596917959555,
3.9381632925000005,
0.8363912532537634
],
[
0.014825777447090826,
1.3127210975,
5.935657715016254
]
] | [
"Ba",
"Ba",
"Li",
"Li"
] | 0.043261 | -7.501499 |
agm005576777 | [
"Cd",
"Pd",
"Tb"
] | 16 | 3 | A3B3C2 | Cd2Pd3Tb3 | [
[
0,
0,
-5.7905432
],
[
-4.233358327014289,
-7.332391709033531,
0
],
[
-4.233358327014289,
7.332391709033531,
0
]
] | [
[
-6.170165058557429,
3.5133074510960374e-16,
-1.4476358000000007
],
[
-5.381634124749864,
5.343519686253831,
-1.4476358000000007
],
[
-1.148275797735575,
1.9888720227796992,
-1.4476358000000007
],
[
-2.2965515954711497,
9.275846474045888e-17,
-4.3429074
... | [
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Cd",
"Cd",
"Cd",
"Cd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 0.079486 | -73.507413 |
agm005679391 | [
"Cd",
"Pd",
"Y"
] | 11 | 3 | A5B4C2 | Cd5Pd2Y4 | [
[
0,
-3.58567774,
0
],
[
-7.677203566902195,
0,
0
],
[
0.6358601462878309,
0,
-9.759303154109734
]
] | [
[
-1.5104395463279345,
-1.79283887,
-4.350878478768658
],
[
-6.303693272587192,
-1.79283887,
-1.3829610840942714
],
[
-5.530903874286429,
-1.79283887,
-5.4084246753410765
],
[
-0.7376501480271735,
-1.79283887,
-8.376342070015463
],
[
-3.01558666744... | [
"Y",
"Y",
"Y",
"Y",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Pd",
"Pd"
] | 0.044536 | -46.423372 |
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