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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
[
2.230346985995932,
3.044243821163235,
6.142027282765052
],
[
6.087574413674138e-10,
1.8607761116395631,
1.6639502391755547
],
[
2.230346963873008,
3.596114431780584,
0.9225731021489113
],
[
2.273168148341247e-8,
1.3089055010222137,
6.883404419791695
],... | [
[
4.46069397,
0,
2.7313872961682e-16
],
[
-2.230346983395311,
4.905019932802798,
-0.3523330380593939
],
[
0,
0,
8.15831056
]
] | [
83,
83,
34,
34,
34,
34
] | [
1,
1,
1
] | alex<agm002017927> | C2/m | Bi-Se | 0.039515 | null | null | -0.000286 | 4,235.292194 | 16.647263 |
[
[
-1.5940022332666275e-16,
2.603203200100525,
4.508880205
],
[
3.15021085,
-2.6032032001005256,
4.508880205
],
[
1.5940022332666277e-16,
-2.6032032001005248,
4.508880204999999
],
[
3.1502108499999992,
2.6032032001005248,
4.508880205
],
[
4.72531627... | [
[
6.3004217,
0,
3.857895634091763e-16
],
[
-4.782006699799882e-16,
7.809609600301575,
4.508880205000001
],
[
4.782006699799882e-16,
-7.809609600301575,
4.508880204999998
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1189138 | P6_3/mcm | Sb-Y | 0 | 0 | null | null | 2,960.85535 | 61.74387 |
[
[
4.440892098500626e-16,
5.382403310258329,
1.132134047621136e-15
],
[
0,
0,
0
]
] | [
[
1.2686446265881952,
3.5882688735055526,
2.1973569500000005
],
[
1.2686446265881952,
3.5882688735055526,
-2.1973569499999996
],
[
-2.53728925317639,
3.5882688735055526,
0
]
] | [
39,
51
] | [
1,
1,
1
] | mp-215 | Fm-3m | Sb-Y | 0 | 0 | 61.666478 | 0 | 3,062.381539 | 60.769768 |
[
[
0,
0,
0
],
[
0,
0,
-3.74933069
],
[
-2.1820114700000004,
-1.2597849095793514,
-5.623996035
],
[
-2.18201147,
1.2597849095793512,
-1.874665345
]
] | [
[
-2.1820114700000004,
-3.779354728738053,
-5.344386724876622e-16
],
[
-2.1820114699999995,
3.779354728738053,
2.672193362438311e-16
],
[
0,
0,
-7.49866138
]
] | [
39,
39,
51,
51
] | [
1,
1,
1
] | alex<agm002031337> | P6_3/mmc | Sb-Y | 0.06751 | null | null | 0 | 3,062.381539 | 58.345184 |
[
[
1.3026391845896903,
1.388769081982181,
5.151625022341565
],
[
3.0151512485976157,
-1.3887690819821805,
2.8403887914195804
],
[
2.158895216593653,
1.571711330876146e-33,
-0.5458979531194277
],
[
0.13803568275545058,
-2.154477826879913,
0.5458979531194278
... | [
[
0.27607136551090117,
-4.308955653759826,
1.0917959062388556
],
[
4.317790433187306,
0,
-1.0917959062388556
],
[
-0.27607136551090117,
4.308955653759826,
7.992013813761144
]
] | [
39,
39,
39,
39,
51,
51
] | [
1,
1,
1
] | alex<agm002192501> | I4/mmm | Sb-Y | 0.041702 | null | null | 0.002028 | 2,925.15755 | 66.704132 |
[
[
-1.943595495940698e-16,
3.174132325,
1.943595495940698e-16
],
[
0,
0,
0
],
[
2.802651952720811,
4.7611984875,
1.8720846470658843
],
[
1.2090710515445553,
1.5870661625,
3.8073348402300193
],
[
2.5361988469552514,
1.5870661625,
1.0330305609... | [
[
4.011723004265367,
0,
-1.2739773227040965
],
[
-3.887190991881396e-16,
6.34826465,
3.887190991881396e-16
],
[
0,
0,
6.95339681
]
] | [
39,
39,
39,
39,
51,
51
] | [
1,
1,
1
] | alex<agm003198716> | Cmcm | Sb-Y | 0.096905 | null | null | 0.006002 | 2,925.15755 | 55.12709 |
[
[
-0.5353368724876231,
4.26168283416255,
-1.9192282759517307
],
[
-2.624672015952172,
-1.0823361421400128,
-1.6712393407877526
],
[
-0.18314678728560496,
1.457985727529217,
-0.6565968287872357
],
[
-1.380709069258175,
1.0823361421400142,
-4.949959516261677... | [
[
-4.005381085210346,
0,
1.1172345729505684
],
[
-0.7184836597732279,
5.719668561691767,
-2.5758251047389664
],
[
0.7184836597732279,
-5.719668561691767,
-5.162608325261033
]
] | [
39,
39,
39,
39,
51,
51
] | [
1,
1,
1
] | alex<agm003198717> | Immm | Sb-Y | 0.099171 | null | null | 0.000091 | 2,925.15755 | 54.880859 |
[
[
0,
0,
5.165754731560335
],
[
0,
0,
1.9071512384396652
],
[
1.56842704,
1.56842704,
1.9207691542321576e-16
],
[
1.56842704,
1.56842704,
3.536452985
]
] | [
[
3.13685408,
0,
1.9207691542321576e-16
],
[
-1.9207691542321576e-16,
3.13685408,
1.9207691542321576e-16
],
[
0,
0,
7.07290597
]
] | [
3,
3,
12,
13
] | [
1,
1,
1
] | alex<agm003169037> | P4/mmm | Al-Li-Mg | 0.078867 | null | null | 0.000004 | 1,495.176057 | 34.536274 |
[
[
2.6102638237678657,
-3.848728969433633,
-4.291905353801388
],
[
0.8700879412559552,
-1.2829096564778777,
-1.430635117933796
],
[
2.243819634089234,
3.394806949744613,
-1.67961081234724
],
[
3.2795535757989565,
-3.3948069497446136,
-1.1816594238617921
]... | [
[
2.043021444864369,
5.131638625911511,
2.861270235526151
],
[
3.480351765023821,
-5.131638625911511,
0.4979513882648162
],
[
0,
0,
-6.22049186
]
] | [
39,
39,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003198715> | I4/mcm | Sb-Y | 0.046849 | null | null | 0 | 3,186.043474 | 51.274502 |
[
[
-0.8380633229459823,
2.199979508943305,
-3.690530231630838
],
[
-3.510071879861002,
-0.6735861958046272,
-5.575969251971961
],
[
-1.978474305141357,
-2.945588467020651,
-8.71249085968979
],
[
-4.211438556687171,
-1.0656100799344426,
-8.664536508362241
... | [
[
-4.267636524786974,
0,
0.9691154170464882
],
[
-0.22905233749760337,
4.343226061777252,
-1.0086642977693088
],
[
0.22905233749760337,
-4.343226061777252,
-8.87246331223069
]
] | [
39,
39,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002031294> | Imm2 | Sb-Y | 0.055514 | null | null | -0.000147 | 3,186.043474 | 48.399677 |
[
[
1.6534960555588825,
1.1215514375,
2.106028040413263
],
[
2.5621765230378672,
3.3646543125,
5.516179579391149
],
[
3.1549433825459525,
1.1215514375,
7.875298594585658
],
[
1.0607291960507972,
3.3646543125,
-0.25309097478124537
],
[
0.3175298546808... | [
[
4.21567257859675,
0,
-1.0582537701955879
],
[
-2.7470087560269757e-16,
4.48620575,
2.7470087560269757e-16
],
[
0,
0,
8.68046139
]
] | [
39,
39,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002384391> | P2_1/m | Sb-Y | 0.052637 | null | null | 0.000118 | 3,186.043474 | 58.096367 |
[
[
1.0225905349999995,
5.953771546922354,
1.6237869043308808
],
[
3.067771605,
1.7005258630776456,
9.009401065669119
],
[
1.0225905349999997,
2.1266228419223543,
3.69280708066912
],
[
3.0677716049999995,
5.527674568077646,
6.940380889330881
],
[
1.0... | [
[
4.09036214,
0,
2.504624451052259e-16
],
[
-4.686905411439187e-16,
7.65429741,
4.686905411439187e-16
],
[
0,
0,
10.63318797
]
] | [
39,
39,
39,
39,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002323903> | Pnma | Sb-Y | 0.002269 | null | null | -0.000001 | 3,186.043474 | 53.302025 |
[
[
-9.637405327130274,
-0.2512857208342786,
4.252249375021167
],
[
-7.835516305930257,
-8.59901873335406,
-0.9439843692628199
],
[
-1.4945221197366354,
-1.675259084615738,
-0.2522875641012246
],
[
-10.028711901679756,
-7.1750453695726,
5.623715422321651
]... | [
[
-5.7992311410813855,
0,
-2.0109893231544045
],
[
-2.899615574071845,
-8.850304454188338,
-1.0054946617567502
],
[
-5.7992311410813855,
0,
7.356330406845595
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003296511> | I-4 | Sb-Y | 0.042344 | null | null | 0.000006 | 2,850.742932 | 53.07835 |
[
[
4.839513194999999,
2.222856155673975,
8.068139760151814
],
[
4.839513195000001,
5.875785915737772,
3.3923865801518156
],
[
4.839513195,
-5.756931688244378e-17,
2.5667331996963725
],
[
1.6131710649999997,
5.875785915737772,
5.959119779848187
],
[
... | [
[
6.45268426,
0,
3.951129562458754e-16
],
[
-4.958988045097244e-16,
8.098642071411748,
4.675753180000002
],
[
4.958988045097244e-16,
-8.098642071411748,
4.675753179999998
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003221920> | P6_3/mcm | Sb-Y | 0.079293 | null | null | 0.003236 | 3,018.253393 | 66.627525 |
[
[
4.742228163304732,
-3.482238001423692,
-3.0357263605956546
],
[
-0.1998558160256289,
-0.6013722034418987,
-6.936644616258401
],
[
-0.9036396187898095,
-5.52807044191273,
-3.6712950893429683
],
[
2.3450107371403672,
-6.722760172684041,
-4.084385634282768
... | [
[
5.910815127174305,
0,
-2.3202485518717255
],
[
0.33993274726756467,
-8.167220409731181,
0.8659760279346682
],
[
-5.910815127174305,
0,
-6.368753488128275
]
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003288271> | C2/c | Sb-Y | 0.081486 | null | null | 0.00264 | 2,883.142522 | 52.45961 |
[
[
-6.714883501410558e-17,
1.096623696903584,
3.10597484
],
[
-3.6262723392983266e-17,
0.5922152153295266,
3.6262723392983266e-17
],
[
2.18998429,
2.5313460309731113,
2.890981032648533e-16
],
[
2.18998429,
3.334817705237116,
3.1059748400000005
]
] | [
[
4.37996858,
0,
2.6819572509314887e-16
],
[
-2.775662937738447e-16,
4.53300158,
2.775662937738447e-16
],
[
0,
0,
6.21194968
]
] | [
39,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003165770> | Pmm2 | Sb-Y | 0.036962 | null | null | -0.000034 | 3,243.401814 | 42.767796 |
[
[
3.2474160000000003,
-2.7759136764288037,
4.808023525
],
[
3.2474159999999994,
2.7759136764288033,
4.808023525000001
],
[
-1.699756899273948e-16,
2.775913676428804,
4.808023525
],
[
1.699756899273948e-16,
-2.7759136764288037,
4.808023525
],
[
4.87... | [
[
6.494832,
0,
3.976937609899901e-16
],
[
-5.099270697821844e-16,
8.327741029286411,
4.808023525000002
],
[
5.099270697821844e-16,
-8.327741029286411,
4.8080235249999985
]
] | [
58,
58,
58,
58,
58,
58,
58,
58,
58,
58,
29,
29,
83,
83,
83,
83,
83,
83
] | [
1,
1,
1
] | mp-1189555 | P6_3/mcm | Bi-Ce-Cu | 0.002601 | 0 | null | 0.028223 | 4,333.912984 | 60.350586 |
[
[
2.0296233250000006,
-4.366338202787352,
2.5209065367522236
],
[
2.029623325,
1.862098042450934e-16,
3.5888738664955517
],
[
2.0296233249999998,
-3.108055939363231,
6.836250006752223
],
[
4.05924665,
-1.827908830755075,
1.0553436554905364
],
[
2.0... | [
[
4.05924665,
0,
2.4855717084360584e-16
],
[
-4.576746430875219e-16,
7.474394142150582,
4.315343470000002
],
[
4.576746430875219e-16,
-7.474394142150582,
4.315343469999998
]
] | [
58,
58,
58,
58,
58,
58,
29,
83,
83
] | [
1,
1,
1
] | alex<agm002208368> | P-62m | Bi-Ce-Cu | 0.084261 | null | null | 0.021073 | 3,939.820276 | 67.013283 |
[
[
0.3349973815088471,
0,
-0.04413237199831484
],
[
0.35562122764809456,
2.2274347,
4.344919102562109
],
[
1.2699127297178157,
0,
2.628296001139752
],
[
2.161401998838419,
2.2274347,
0.7910718168457997
]
] | [
[
2.747955558475451,
0,
-0.6819126521092204
],
[
-2.727820775664745e-16,
4.4548694,
2.727820775664745e-16
],
[
0,
0,
5.82868239
]
] | [
3,
3,
12,
13
] | [
1,
1,
1
] | alex<agm003169034> | Pm | Al-Li-Mg | 0.079921 | null | null | -0 | 1,495.176057 | 34.514133 |
[
[
5.260087932779255,
1.6455754354541312,
6.233940041477529
],
[
1.2387779381875978,
1.6455754354541312,
9.80475101090673
],
[
4.4882108732107024,
4.473295276388831,
4.611322099606811
],
[
8.50952086780236,
4.473295276388831,
1.0405111301776109
],
[
... | [
[
6.498865872248412,
0,
0.18336172736211753
],
[
3.2494329337415455,
6.118870711842962,
0.09168086372222277
],
[
0,
0,
10.57021955
]
] | [
31,
31,
31,
31,
1,
1,
1,
1,
17,
17,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | mp-1190111 | C2/c | Cl-Ga-H | 0.032431 | 4.788 | null | null | 1,698.317559 | 3.274483 |
[
[
4.587625304559787,
3.192181029335373,
4.51652856545516
],
[
0.6766254471686955,
1.2049405419295753,
5.122733222392347
],
[
2.4041764863544346,
4.031852858224832,
5.786741663857136
],
[
2.8600742653740485,
0.36526871304011643,
3.852520123990371
],
[
... | [
[
3.5697970401710983,
0,
0.8414044787194939
],
[
1.6944537115573846,
4.3971215712649485,
0.8044292191280132
],
[
0,
0,
7.99342809
]
] | [
31,
31,
1,
1,
17,
17
] | [
1,
1,
1
] | alex<agm001031050> | C2/m | Cl-Ga-H | 0.093201 | null | null | 0 | 1,765.166958 | 9.696138 |
[
[
1.436851719512601,
4.499866293279247,
6.836672892858238
],
[
3.3027883498311557,
4.44203170729782,
1.9930096284140755
],
[
4.531763587881566,
2.0558222868783953,
4.059928279472225
],
[
2.5137994044836374,
5.216127563856136,
8.011434661894212
],
[
... | [
[
4.173658935548018,
0,
0.3638962877426708
],
[
1.4510339502757876,
5.833227696852262,
1.2489102729455501
],
[
0,
0,
7.3118838
]
] | [
31,
31,
1,
1,
1,
1,
1,
1,
17,
17
] | [
1,
1,
1
] | alex<agm003728382> | P1 | Cl-Ga-H | 0.096623 | null | null | 0 | 1,765.166958 | 7.978751 |
[
[
3.3011482436506867e-10,
1.7194888845698626,
-2.1059351922665734
],
[
3.97098948072965,
-1.719488884569863,
-3.509891987422191
],
[
-3.4746157951020074,
4.298722211424656,
-3.5098919871887655
],
[
-2.481868425827411,
-0.859744442284932,
-4.913848782811236... | [
[
-3.970989482380224,
-6.87795553827945,
-2.807913591244941
],
[
-3.9709894797393055,
6.87795553827945,
-2.8079135893775296
],
[
7.94197896211953,
0,
-2.8079135893775296
]
] | [
58,
58,
58,
58,
58,
58,
29,
29,
29,
29,
29,
29,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1189165 | I-43d | Ce-Cu-Sb | 0 | 0 | null | 0.012867 | 2,955.277744 | 76.981567 |
[
[
2.246759,
2.246759,
2.42794630813
],
[
0,
0,
7.56020897289
],
[
2.246759,
0,
0.010366407680000137
],
[
-1.375743108902754e-16,
2.246759,
0.010366407680000137
],
[
2.246759,
2.246759,
6.29024304453
],
[
2.246759,
0,
4.91849... | [
[
4.493518,
0,
2.751486217805508e-16
],
[
-2.751486217805508e-16,
4.493518,
2.751486217805508e-16
],
[
0,
0,
10.123445
]
] | [
58,
58,
29,
29,
29,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1227069 | P4mm | Ce-Cu-Sb | 0.08353 | 0 | null | 0.007852 | 2,934.108841 | 74.308334 |
[
[
2.264281,
2.264281,
7.4806180619400005
],
[
2.264281,
2.264281,
17.224377250139998
],
[
0,
0,
2.4740940301650003
],
[
0,
0,
12.44854999251
],
[
2.264281,
0,
5.041314641835
],
[
2.264281,
0,
14.898999145815
],
[
-1.... | [
[
4.528562,
0,
2.772944479020168e-16
],
[
-2.772944479020168e-16,
4.528562,
2.772944479020168e-16
],
[
0,
0,
19.903095
]
] | [
58,
58,
58,
58,
29,
29,
29,
29,
29,
51,
51,
51,
51,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-1227972 | P4mm | Ce-Cu-Sb | 0.021761 | 0 | null | -0.000163 | 2,983.308841 | 68.649063 |
[
[
2.2002825,
0,
2.424262068142
],
[
-1.347284460422468e-16,
2.2002825,
7.448360931858001
],
[
0,
0,
0
],
[
2.2002825,
2.2002825,
2.694568920844936e-16
],
[
2.2002825,
0,
8.313419904364002
],
[
-1.347284460422468e-16,
2.2002825,
... | [
[
4.400565,
0,
2.694568920844936e-16
],
[
-2.694568920844936e-16,
4.400565,
2.694568920844936e-16
],
[
0,
0,
9.872623
]
] | [
58,
58,
29,
29,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-672238 | P4/nmm | Ce-Cu-Sb | 0 | 0 | null | 0.005539 | 3,036.00458 | 67.97924 |
[
[
0.5122358300073087,
0.5376476031103763,
2.3288159784865607
],
[
3.8153301751520567,
-0.5376476031103771,
7.032616687154966
],
[
1.1342338532523786,
-1.0806245873355915,
5.156652235
],
[
3.193332151906985,
1.0806245873355909,
4.204780430641526
],
[
... | [
[
0.20936940785015049,
-4.322498349342363,
0.9518718043584741
],
[
4.3275660051593645,
0,
-0.9518718043584741
],
[
-0.20936940785015049,
4.322498349342363,
9.361432665641527
]
] | [
58,
58,
29,
29,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm002269091> | I4/mmm | Ce-Cu-Sb | 0.017965 | null | null | 0.002789 | 3,036.00458 | 65.447433 |
[
[
2.7056053624011898,
1.263624358151494,
2.1886615900000006
],
[
0.869008850807392,
-1.2636243581514948,
2.1886615899999997
],
[
0.603765905007616,
-7.274604852743384e-50,
3.696999915009409e-17
]
] | [
[
4.17838016,
0,
2.5585199442824026e-16
],
[
-2.3212402883022846e-16,
3.7908730744544834,
2.188661590000001
],
[
2.3212402883022846e-16,
-3.7908730744544834,
2.1886615899999993
]
] | [
58,
29,
51
] | [
1,
1,
1
] | alex<agm001413788> | P3m1 | Ce-Cu-Sb | 0.040635 | null | null | 0.013928 | 2,899.811937 | 83.43541 |
[
[
2.220446049250313e-16,
8.603696529896215,
2.9513840260619876e-16
],
[
4.440892098500626e-16,
5.735797686597477,
-7.58570095626964e-17
],
[
1.1102230246251565e-16,
2.8678988432987382,
2.220446049250313e-16
],
[
0,
0,
0
]
] | [
[
1.3519404799023957,
3.8238651243983175,
2.3416296000000005
],
[
1.3519404799023957,
3.8238651243983175,
-2.3416295999999996
],
[
-2.703880959804791,
3.8238651243983175,
0
]
] | [
3,
3,
12,
13
] | [
1,
1,
1
] | alex<agm002283398> | F-43m | Al-Li-Mg | 0.0429 | null | null | 0 | 1,495.176057 | 41.387138 |
[
[
2.19897574,
0,
7.213443783856668
],
[
-1.3464843006968412e-16,
2.19897574,
2.2148247261433323
],
[
2.19897574,
2.19897574,
2.6929686013936823e-16
],
[
2.19897574,
0,
1.4041845567206597
],
[
-1.3464843006968412e-16,
2.19897574,
8.024083953... | [
[
4.39795148,
0,
2.6929686013936823e-16
],
[
-2.6929686013936823e-16,
4.39795148,
2.6929686013936823e-16
],
[
0,
0,
9.42826851
]
] | [
58,
58,
29,
51,
51,
51,
51
] | [
1,
1,
1
] | alex<agm003450862> | P-4m2 | Ce-Cu-Sb | 0 | null | null | 0.000223 | 3,153.487527 | 61.68494 |
[
[
2.5836824898582776e-16,
-4.21947371545353,
2.436114285455645
],
[
1.447068847879215e-33,
1.164345951589926e-16,
3.581642959088709
],
[
4.04736632,
4.21947371545353,
2.436114285455647
],
[
2.02368316,
-1.8109924639599146,
1.04557698656764
],
[
2.0... | [
[
4.04736632,
0,
2.478297104382401e-16
],
[
-4.482983408039722e-16,
7.321267505310021,
4.226935765000002
],
[
4.482983408039722e-16,
-7.321267505310021,
4.226935764999999
]
] | [
58,
58,
58,
58,
58,
58,
29,
51,
51
] | [
1,
1,
1
] | alex<agm002208760> | P-62m | Ce-Cu-Sb | 0.079435 | null | null | 0.02141 | 3,075.066608 | 64.948021 |
[
[
0,
0,
0
],
[
3.7009388242439876,
-1.3070944902904116,
0.27851270444459086
],
[
3.016099119875056,
2.240501122562716,
-1.7677646044176907
],
[
3.503102699676679,
-3.547595612853127,
-2.564523666417679
],
[
2.6016744228575863,
1.960641735435616... | [
[
2.105822674870535,
5.2283779611616445,
2.8881921805418784
],
[
3.5307033157449603,
-5.2283779611616445,
0.5570254088982021
],
[
0,
0,
-6.33340977
]
] | [
14,
14,
47,
47,
47,
47,
15,
15,
15,
15
] | [
1,
1,
1
] | mp-1206152 | I-42d | Ag-P-Si | 0.002847 | 0.17 | null | 0.000001 | 2,112.862771 | 61.564331 |
[
[
3.2466015808193145,
1.0867540382463612,
2.473040857657063
],
[
1.0837011798847742,
3.2366394705692225,
7.345212834044134
],
[
3.284260245897041,
3.2237386707517137,
0.03583526711676645
],
[
1.035929183488387,
1.0980162981406676,
9.782691647148111
],
... | [
[
4.318266034426666,
0,
0.031600907286853934
],
[
0.011267894636979964,
4.323324335626213,
0.012343425970832126
],
[
0,
0,
9.77440128
]
] | [
66,
66,
29,
29,
51,
51,
51,
51
] | [
1,
1,
1
] | mp-600449 | C2/m | Cu-Dy-Sb | 0.000478 | 0.3488 | null | -0.000002 | 3,039.055213 | 70.171562 |
[
[
2.035929304999999,
5.46269952875752,
3.1538910434301974
],
[
2.035929305,
7.644159981778282e-17,
2.0406353031396085
],
[
2.0359293050000002,
-5.46269952875752,
3.1538910434301948
],
[
4.07185861,
-2.9226606329537232,
1.6873989031857537
],
[
8.158... | [
[
4.07185861,
0,
2.493294306658545e-16
],
[
-4.4270623831872076e-16,
7.22994154113578,
4.174208695000002
],
[
4.4270623831872076e-16,
-7.22994154113578,
4.174208694999998
]
] | [
66,
66,
66,
66,
66,
66,
29,
51,
51
] | [
1,
1,
1
] | alex<agm002209320> | P-62m | Cu-Dy-Sb | 0.041698 | null | null | 0.01081 | 3,077.678528 | 62.770725 |
[
[
2.0358163326063674e-8,
0.6517418689029072,
1.689944040660151
],
[
2.143039201262552e-8,
6.074371560291435,
3.7253990893183233
],
[
2.022929275088114,
1.6052368237292092,
4.608666726776802
],
[
2.022929276160343,
7.027866515117736,
6.644121775434975
],
... | [
[
4.04585859,
0,
2.477373886023162e-16
],
[
-2.0229292934814938,
7.679608384020644,
-0.11684681390487443
],
[
0,
0,
8.45091263
]
] | [
66,
66,
66,
66,
66,
66,
29,
29,
51,
51
] | [
1,
1,
1
] | alex<agm003714350> | C2/m | Cu-Dy-Sb | 0.08767 | null | null | 0.000849 | 3,003.173277 | 60.360065 |
[
[
2.2460452467265695,
4.729360229274974,
1.667262199225886
],
[
5.590632970218509,
-0.08735761883737772,
-0.44153046502662596
],
[
0,
0,
0
],
[
2.5423210761180055,
3.3616461292828967,
4.87193451209963
],
[
1.3967067955837351,
0.0873576188373775... | [
[
1.902697613566233,
-6.7232922585657935,
3.64620277790037
],
[
6.987339765802244,
0,
-3.64620277790037
],
[
-1.902697613566233,
6.7232922585657935,
4.87193451209963
]
] | [
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
29,
29,
29,
29,
51,
51
] | [
1,
1,
1
] | alex<agm003477718> | I4/mcm | Cu-Dy-Sb | 0.010842 | null | null | -0.000026 | 2,942.82387 | 67.867462 |
[
[
0,
0,
-8.066808130334952
],
[
0,
0,
-4.022890445334952
],
[
-2.1705907700000004,
-1.2531911653600172,
-6.033950444403755
],
[
-2.17059077,
1.253191165360016,
-1.9900327594037543
],
[
-2.1705907700000004,
-1.2531911653600172,
-2.0021216469... | [
[
-2.1705907700000004,
-3.7595734960800513,
-5.316414077478578e-16
],
[
-2.1705907699999996,
3.7595734960800513,
2.658207038739289e-16
],
[
0,
0,
-8.08783537
]
] | [
66,
66,
29,
29,
51,
51
] | [
1,
1,
1
] | alex<agm002268669> | P6_3/mmc | Cu-Dy-Sb | 0.090173 | null | null | 0.000223 | 2,912.695583 | 86.002052 |
[
[
3.1053681824999995,
1.3459496991733846,
3.2083408091202
],
[
1.0351227274999997,
4.295835996811885,
3.020275517952924
],
[
1.0351227275,
1.7536477007080642,
0.10849487956718486
],
[
3.105368182499999,
3.8881379952772055,
6.120121447505939
],
[
3.... | [
[
4.14049091,
0,
2.5353194699151056e-16
],
[
-3.454597397031842e-16,
5.64178569598527,
-2.1312469729268773
],
[
0,
0,
8.3598633
]
] | [
66,
66,
66,
66,
29,
29,
51,
51
] | [
1,
1,
1
] | alex<agm003629324> | P2_1/m | Cu-Dy-Sb | 0.061263 | null | null | 0.000223 | 2,972.340125 | 61.346371 |
[
[
6.60051,
-2.499459277454161,
4.32919046
],
[
6.60051,
2.499459277454159,
4.32919046
],
[
3.300254999999999,
2.499459277454159,
4.329190460000001
],
[
3.300255,
-2.4994592774541613,
4.32919046
],
[
1.6501275,
1.683820729279654,
0.972154351... | [
[
6.60051,
0,
4.041646722120048e-16
],
[
-4.59143220560009e-16,
7.498377832362481,
4.329190460000002
],
[
4.59143220560009e-16,
-7.498377832362481,
4.329190459999999
]
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
14,
14,
14,
14,
14,
14,
6,
6
] | [
1,
1,
1
] | mp-1189584 | P6_3/mcm | C-Si-Sm | 0.045959 | 0 | null | 0.000648 | 2,854.540124 | 64.58036 |
[
[
5.591018803168422,
0.2801572882847375,
2.186518068441842
],
[
5.431652793705624,
2.3472365151105326,
5.090793508202513
],
[
5.247312752904279,
2.6942033169035073,
8.796130942904465
],
[
4.223932230413424,
6.663611941903507,
5.143662822045004
],
[
... | [
[
6.314163322211802,
0,
-0.1859645567003535
],
[
-4.861123567114146e-16,
7.93881725,
4.861123567114146e-16
],
[
0,
0,
9.4791604
]
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
14,
14,
14,
14,
6,
6
] | [
1,
1,
1
] | alex<agm003493029> | P2_1/c | C-Si-Sm | 0.044382 | null | null | 0.000017 | 2,946.253212 | 67.219734 |
[
[
7.645262200657596e-16,
4.182310336339634,
8.232128412277716e-16
],
[
4.440892098500626e-16,
12.546931009018905,
1.4432899320127035e-15
],
[
4.377742612641376e-16,
8.36462067267927,
1.2673020510778342e-15
],
[
0,
0,
0
],
[
2.31919334532421,
10... | [
[
1.9715599999015645,
5.57641378178618,
3.414842090000001
],
[
1.9715599999015645,
5.57641378178618,
-3.414842089999999
],
[
-3.9431199998031286,
5.57641378178618,
0
]
] | [
55,
55,
55,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-1206041 | Fm-3m | Cs-F-V | 0.053139 | 3.1001 | null | 0.008879 | 4,854.95119 | 23.053276 |
[
[
-0.09793304358551548,
4.364383762130977,
1.13854478816927
],
[
1.8359064295872551,
2.8222906084800594,
-2.518674392845013
],
[
3.769745902760025,
1.2801974548291424,
0.8435121261407043
],
[
0,
0,
0
],
[
3.6591437106723457,
5.299708311537229,
... | [
[
5.873949120865174,
0,
-2.3960597129043566
],
[
-2.202136261690664,
5.644581216960119,
-2.641289072785669
],
[
0,
0,
7.0194057
]
] | [
55,
55,
55,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002210784> | C2/m | Cs-F-V | 0 | null | null | 0.0086 | 4,854.95119 | 19.746355 |
[
[
0.2844956559990724,
5.558985,
0.6840657597655406
],
[
5.529606690094949,
1.852995,
5.096885863955956
],
[
4.25146350084137,
5.558985,
2.023608738597141
],
[
1.5626388452526516,
1.852995,
3.757342885124355
],
[
2.2373189096980943,
5.558985,
... | [
[
5.814102346094022,
0,
-2.418023176278504
],
[
-4.5385287911721e-16,
7.41198,
4.5385287911721e-16
],
[
0,
0,
8.1989748
]
] | [
55,
55,
55,
55,
23,
23,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | mp-27239 | Cmcm | Cs-F-V | 0.001914 | 1.8264 | null | 0.005662 | 4,501.647034 | 16.048346 |
[
[
-1.1622738213752018e-15,
3.960946261802256,
1.1622034623570696e-15
],
[
-3.0358115453131184e-16,
11.882838785406769,
1.5543122344752192e-15
],
[
0,
0,
0
],
[
-1.0981984821899073,
9.47497971129503,
-1.9021355679479441
],
[
1.0981984821899076,
... | [
[
1.8672079744239212,
5.2812616824030085,
3.234099080000001
],
[
1.8672079744239212,
5.2812616824030085,
-3.234099079999999
],
[
-3.734415948847842,
5.2812616824030085,
0
]
] | [
55,
55,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002271060> | Fm-3m | Cs-F-V | 0.074002 | null | null | 0.005229 | 4,501.647034 | 28.739307 |
[
[
-1.773146554686486,
-3.524127977309695,
-6.397466702400679
],
[
2.1064958033734515,
-6.279146524749848,
-1.8746483749032303
],
[
1.2810886111596131,
-4.54828888497186,
-4.852696131282029
],
[
0.1702079842668153,
-1.4737563662976516,
-8.860724418863775
... | [
[
4.877474574951727,
0,
-1.3518596908995406
],
[
0.3969739696760704,
-6.4637855944613305,
1.4322717490927666
],
[
-4.877474574951727,
0,
-8.12297079910046
]
] | [
69,
69,
69,
69,
69,
69,
69,
69,
49,
49,
29
] | [
1,
1,
1
] | alex<agm003529525> | C2/m | Cu-In-Tm | 0.067098 | null | null | 0.001049 | 2,884.591265 | 41.733822 |
[
[
-0.6579169851305321,
-0.9664176908839684,
-1.8200994936488004
],
[
-2.7571230218405,
0.9664176908839689,
-2.286459953893522
],
[
-3.074248595749304,
-2.007594757473258,
-3.1637744047242506
],
[
-1.707520003485516,
0,
-4.723781958771161
]
] | [
[
-3.415040006971032,
0,
1.2344450224576766
],
[
-0.6815828224434556,
4.015189514946516,
-1.8855700856361453
],
[
0.6815828224434556,
-4.015189514946516,
-3.4554343843638544
]
] | [
3,
3,
12,
13
] | [
1,
1,
1
] | alex<agm003169041> | Immm | Al-Li-Mg | 0.085017 | null | null | 0.000159 | 1,495.176057 | 36.565899 |
[
[
0,
0,
0
],
[
3.9375353142929708,
2.758735868093746,
6.699613334183969
],
[
4.6519373041760055,
1.689236540163289,
5.413982279617071
],
[
3.1815970875273853,
3.7985739852417844,
5.413394836621048
],
[
5.428978465788213,
3.7985739852417844,
... | [
[
5.853065681871205,
0,
3.2524430274449045
],
[
2.0220049467147363,
5.517471736187492,
3.2540013409230317
],
[
0,
0,
6.8927823
]
] | [
55,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002270366> | R-3m | Cs-F-V | 0.009915 | null | null | -0 | 3,833.029535 | 13.154203 |
[
[
-4.097365020233779,
1.2863566229686134,
0.9736954126738203
],
[
-1.1149817027412565,
-1.286356622968614,
-6.830983991686376
],
[
-5.591077770368604,
2.5899537391938434,
-2.9518604978993435
],
[
-2.606173361487518,
0,
-2.928644289506278
],
[
-0.26... | [
[
-5.212346722975036,
0,
1.9639159109874447
],
[
-0.7574620947871346,
5.179907478387687,
-2.010348327773576
],
[
0.7574620947871346,
-5.179907478387687,
-5.8108561622264245
]
] | [
55,
55,
23,
23,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003752385> | Ibam | Cs-F-V | 0.000918 | null | null | 0.018941 | 4,174.191323 | 28.393196 |
[
[
1.1654673025056308,
5.76876882997048,
2.0186485825000005
],
[
-6.285937559383253e-16,
2.472329498558776,
6.702746319087182e-16
],
[
1.1654673025056308,
5.76876882997048,
-2.0186485825
],
[
-2.330934605011263,
5.768768829970478,
2.220446049250313e-16
],... | [
[
2.330934605011263,
6.592878662823402,
4.037297165000001
],
[
2.330934605011263,
6.592878662823402,
-4.037297164999999
],
[
-4.661869210022525,
6.592878662823402,
0
]
] | [
55,
55,
55,
55,
23,
23,
23,
23,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063614> | Fd-3m | Cs-F-V | 0.069027 | null | null | 0.032207 | 4,385.140123 | 45.627998 |
[
[
2.1663058348739748,
1.101145416296395,
2.8474560845530146
],
[
-4.684929782777303e-10,
4.093442963384357,
4.4260154681542865
],
[
2.16630583456185,
3.828320107177464,
-0.3617613185104839
],
[
-1.5636887805434161e-10,
1.3662682725032875,
7.635232871217783... | [
[
4.33261167,
0,
2.6529595068069844e-16
],
[
-2.166305835594519,
5.194588379680751,
-1.3270551072927002
],
[
0,
0,
8.60052666
]
] | [
55,
55,
23,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063602> | C2/m | Cs-F-V | 0.073527 | null | null | 0.03102 | 4,385.140123 | 43.717667 |
[
[
2.17795361,
2.17795361,
2.1779536100000003
],
[
0,
0,
0
],
[
-1.3336119585889614e-16,
2.17795361,
1.3336119585889614e-16
],
[
0,
0,
2.17795361
],
[
2.17795361,
0,
1.3336119585889614e-16
]
] | [
[
4.35590722,
0,
2.667223917177923e-16
],
[
-2.667223917177923e-16,
4.35590722,
2.667223917177923e-16
],
[
0,
0,
4.35590722
]
] | [
55,
23,
9,
9,
9
] | [
1,
1,
1
] | alex<agm001104370> | Pm-3m | Cs-F-V | 0 | null | null | 0.036279 | 4,385.140123 | 55.467209 |
[
[
0.699280924038607,
1.0990542075,
3.2861307848983583
],
[
3.4605457495155303,
3.2971626225,
5.900481938529869
],
[
1.8316663620209768,
1.0990542075,
8.46386301242614
],
[
2.3281603115331606,
3.2971626225,
0.7227497110020873
],
[
3.892525279933697,... | [
[
4.159826673554138,
0,
-0.8824458765717738
],
[
-2.691906434608612e-16,
4.39621683,
2.691906434608612e-16
],
[
0,
0,
10.0690586
]
] | [
55,
55,
23,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063590> | Cmcm | Cs-F-V | 0.044527 | null | null | 0.032576 | 4,385.140123 | 49.54229 |
[
[
1.0068939470566416,
1.466038849522301,
5.073094977720666
],
[
4.619694932943358,
6.291437588150018,
1.9439624963168614
],
[
3.8201883870566418,
2.412699369313858,
2.6610967742980978
],
[
1.8064004929433581,
5.34477706835846,
4.35596069973943
],
[
... | [
[
5.62658888,
0,
3.4452920310050453e-16
],
[
-4.750084344428208e-16,
7.757476437672318,
-1.4342685559624733
],
[
0,
0,
8.45132603
]
] | [
55,
55,
55,
55,
23,
23,
23,
23,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063604> | P2_1/c | Cs-F-V | 0.060661 | null | null | 0.032522 | 4,385.140123 | 41.155716 |
[
[
-2.831822629781029,
-1.8499380551753544,
-8.416836437586129
],
[
-4.856736443679335,
-3.172748701359928,
-3.848174717561411
],
[
-1.2664132423403585,
-0.8273067761890841,
-4.545719548158024
],
[
-6.4221458311200035,
-4.195379980346196,
-7.719291606989515... | [
[
-2.203700202342567,
-5.022686756535282,
-2.43098902257377
],
[
-5.484858871117796,
0,
-2.43098902257377
],
[
0,
0,
-7.40303311
]
] | [
55,
55,
23,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063603> | R-3 | Cs-F-V | 0.067216 | null | null | 0.029437 | 4,385.140123 | 35.577103 |
[
[
1.49525668644909,
1.4864084008535015,
3.8518225835939015
],
[
0.7308947886058167,
4.857508188903401,
6.877440091431071
],
[
3.2850822351544955,
7.487061759740771,
3.6724321634716532
],
[
4.049444132997769,
4.115961971690872,
0.6468146556344837
],
[
... | [
[
5.572835774174873,
0,
-0.4330570617806614
],
[
-0.7924968525712879,
8.973470160594273,
-1.1205044611537838
],
[
0,
0,
9.07781627
]
] | [
55,
55,
55,
55,
23,
23,
23,
23,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063607> | C2/c | Cs-F-V | 0.056719 | null | null | 0.026576 | 4,385.140123 | 37.30822 |
[
[
3.451531605,
3.3513127869694186,
3.7207036372564843
],
[
1.1505105349999998,
1.964009181913963,
-0.06016013113550639
],
[
3.451531605,
0.644155152280948,
1.8563446468289515
],
[
1.1505105349999998,
4.671166816602433,
1.8041988592920266
],
[
3.451... | [
[
4.60204214,
0,
2.817938088146118e-16
],
[
-3.2546960178153203e-16,
5.3153219688833815,
-2.0288064938790225
],
[
0,
0,
5.68935
]
] | [
3,
3,
3,
3,
12,
12,
13,
13
] | [
1,
1,
1
] | alex<agm003612996> | Cmcm | Al-Li-Mg | 0.073465 | null | null | -0.000154 | 1,495.176057 | 33.656052 |
[
[
3.255718486141484,
1.6554206425,
-0.3933817560745065
],
[
0.8302193362974245,
4.9662619275,
6.14157907858342
],
[
2.079743945137155,
1.6554206425,
2.993750020142412
],
[
2.0061938773017527,
4.9662619275,
2.754447302366502
],
[
2.4644106797897343,... | [
[
4.0859378224389085,
0,
-1.2906757574910865
],
[
-4.05461118216016e-16,
6.62168257,
4.05461118216016e-16
],
[
0,
0,
7.03887308
]
] | [
55,
55,
23,
23,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm003063599> | Cmcm | Cs-F-V | 0.064892 | null | null | 0.031618 | 4,385.140123 | 44.45562 |
[
[
2.001597215,
0,
3.392809195
],
[
2.001597215,
3.392809195,
3.3031212716532325e-16
],
[
0,
0,
0
],
[
-3.3010217962598964e-16,
5.390977706483529,
5.390977706483529
],
[
-3.3010217962598964e-16,
5.390977706483529,
1.3946406835164713
],
[... | [
[
4.00319443,
0,
2.4512496225320065e-16
],
[
-4.154992920774458e-16,
6.78561839,
4.154992920774458e-16
],
[
0,
0,
6.78561839
]
] | [
55,
55,
23,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002362241> | P4/mmm | Cs-F-V | 0.040537 | null | null | 0.010856 | 4,640.146787 | 23.886309 |
[
[
2.8358501930416726,
-1.474735780819124,
2.045652127853901
],
[
1.3636194442340468,
1.4747357808191237,
4.8770269077065365
],
[
0,
0,
0
],
[
3.6512989328672134,
-0.5928391203325314,
4.962129673833021
],
[
0.5481707044085061,
0.5928391203325314... | [
[
0.328299732149125,
-4.186617312374213,
1.1741740744395628
],
[
4.19946963727572,
0,
-1.1741740744395628
],
[
-0.328299732149125,
4.186617312374213,
6.922679035560437
]
] | [
55,
55,
23,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm001079931> | I4/mmm | Cs-F-V | 0 | null | null | 0.02107 | 4,792.045909 | 41.197063 |
[
[
0,
0,
0
],
[
2.05378255,
1.7055483877913153,
3.3986261628962384
],
[
2.0537825499999998,
3.7971807425634463,
-0.20241913576951015
],
[
-1.0374620195175511e-16,
1.6943040560590572,
3.417984893807388
],
[
-2.331987788514378e-16,
3.8084250742957... | [
[
4.1075651,
0,
2.515158226002189e-16
],
[
-3.369449808031929e-16,
5.502729130354762,
-3.138765472873272
],
[
0,
0,
6.3349725
]
] | [
55,
23,
23,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | alex<agm002363202> | Cmmm | Cs-F-V | 0.070462 | null | null | 0.027932 | 3,652.531678 | 65.372437 |
[
[
-2.3933488695324363,
-3.774689251777317,
-1.7581893366413057
],
[
-2.59392310395268,
-6.789571304064379,
-4.321496372733553
],
[
-4.051409280910399,
-7.327222942330533,
-1.183187750816164
],
[
-5.6291391870481045,
-5.241986457728196,
-3.512323511804804
... | [
[
3.55993237954294,
-7.549378503554634,
2.6151787683586942
],
[
-8.346630118607813,
0,
2.6151787683586942
],
[
0,
0,
-8.74673621
]
] | [
21,
21,
21,
21,
21,
21,
21,
28,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | mp-1190159 | R-3 | Br-Ni-Sc | 0 | 0.1484 | null | 0.001815 | 6,095.182933 | 12.778346 |
[
[
1.81707605,
-8.059565598703298e-17,
5.944003584835979
],
[
2.4677780532295353e-16,
-4.030187405785404,
2.326829783614842
],
[
1.81707605,
1.6197807336171142,
0.9351808425820107
],
[
1.81707605,
-1.6197807336171148,
0.9351808425820105
],
[
-2.4677... | [
[
3.6341521,
0,
2.225276368439816e-16
],
[
-4.143861155856936e-16,
6.767438838270844,
3.907182635000001
],
[
4.143861155856936e-16,
-6.767438838270844,
3.9071826349999985
]
] | [
40,
40,
40,
40,
40,
40,
27,
52,
52
] | [
1,
1,
1
] | mp-1205965 | P-62m | Co-Te-Zr | 0 | 0 | null | null | 3,288.182256 | 118.053719 |
[
[
3.329577858318421,
5.064438046425467,
1.6673182214810005
],
[
3.329921621681579,
2.0750884564505125,
3.234893725907373
],
[
6.659327598318421,
5.644851707888502,
1.36301270460156
],
[
0.00017188168157870846,
1.4946747949874772,
3.5391992427868137
],
... | [
[
6.65949948,
0,
4.0777673610527315e-16
],
[
-4.371699139587382e-16,
7.139526502875979,
-3.7437620426116265
],
[
0,
0,
8.64597399
]
] | [
40,
40,
40,
40,
27,
27,
27,
27,
52,
52,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | alex<agm002144945> | Cmce | Co-Te-Zr | 0.034815 | null | null | 0.009357 | 4,062.545446 | 41.223396 |
[
[
-1.3181414447246211,
-1.6773385700653023,
-4.734039870736361
],
[
-3.434977201946498,
-0.455154160119122,
-3.6909176958866543
],
[
-3.4221794808495494,
-0.46254307706156655,
-6.369436988252008
],
[
-3.4389127636570813,
-2.8912676294491826,
-2.82343403610... | [
[
-2.1117288052654346,
-3.6575356488470203,
-2.586076352603119e-16
],
[
-4.223308767732268,
0,
-0.019261270103052515
],
[
0,
0,
-7.03172242
]
] | [
40,
27,
52,
52
] | [
1,
1,
1
] | alex<agm004370636> | P3m1 | Co-Te-Zr | 0.00792 | null | null | 0.008281 | 4,062.545446 | 34.222725 |
[
[
-5.082957561744013,
-3.1288679238546613,
-2.2168981698421972
],
[
-2.54551309758019,
-1.5669173279577515,
-10.274592627291105
],
[
0,
0,
0
],
[
-6.535008878974348,
-4.022693366047427,
-6.784841301562834
],
[
-1.0934617803498548,
-0.6730918857... | [
[
-2.3689653590561983,
-4.695785251812413,
-1.6562681785666509
],
[
-5.259505300268004,
0,
-1.6562681785666509
],
[
0,
0,
-9.17895444
]
] | [
3,
3,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | alex<agm003352366> | R-3m | Al-Li-Mg | 0.096016 | null | null | -0.000027 | 1,028.893113 | 65.384209 |
[
[
1.9645577599999995,
6.421757197651779,
5.143337032348222
],
[
1.9645577599999997,
2.5667257876517793,
6.42175719765178
],
[
1.9645577599999997,
5.143337032348221,
1.2883056223482214
],
[
1.96455776,
1.288305622348221,
2.5667257876517793
],
[
0,
... | [
[
3.92911552,
0,
2.405889372524094e-16
],
[
-4.721051876869007e-16,
7.71006282,
4.721051876869007e-16
],
[
0,
0,
7.71006282
]
] | [
59,
59,
59,
59,
48,
48,
45,
45,
45,
45
] | [
1,
1,
1
] | mp-1205724 | P4/mbm | Cd-Pr-Rh | 0.019727 | 0 | null | null | 4,443.473314 | 90.721558 |
[
[
4.277586406886065,
3.500001887916587,
7.158816302500224
],
[
1.267404144928632,
1.4537617424686264,
2.754024102018785
],
[
0,
0,
0
],
[
2.460978292235267,
1.378854792785573,
5.6793941196751945
],
[
3.0840122595794295,
3.574908837599641,
4... | [
[
4.139577504165665,
0,
1.783672504236465
],
[
1.4054130476490316,
4.953763630385214,
2.4337306902825437
],
[
0,
0,
5.69543721
]
] | [
59,
59,
48,
45,
45
] | [
1,
1,
1
] | alex<agm002308458> | Immm | Cd-Pr-Rh | 0 | null | null | 0.00018 | 4,443.473314 | 88.673447 |
[
[
-5.529886587716809,
-3.3332201021395904,
-3.5802372785115115
],
[
-4.3301577505041315,
-2.6100659806434114,
-8.250274614201595
],
[
-2.9553010579335672,
-1.7813509803364207,
-5.233427897706766
],
[
-1.9777507672572783,
-1.192118230613802,
-9.038618017494... | [
[
-1.8836785211661091,
-3.5667025882980314,
-1.0362184713843277
],
[
-4.033560725274186,
0,
-1.0362184713843277
],
[
0,
0,
-8.36858314
]
] | [
59,
59,
48,
45
] | [
1,
1,
1
] | alex<agm005109560> | R3m | Cd-Pr-Rh | 0.092526 | null | null | 0 | 3,707.277889 | 68.539673 |
[
[
-1.55725825794817,
-0.9350355516556333,
-2.222051333171463
],
[
-4.271346371764649,
-2.564674607214812,
-8.301472822182784
],
[
-2.9143023148564096,
-1.7498550794352226,
-5.2617620776771235
],
[
0,
0,
0
]
] | [
[
-1.8636244962183262,
-3.499710158870445,
-0.9708755076771237
],
[
-3.964980133494493,
0,
-0.9708755076771237
],
[
0,
0,
-8.58177314
]
] | [
59,
59,
48,
45
] | [
1,
1,
1
] | alex<agm001938580> | R-3m | Cd-Pr-Rh | 0.076662 | null | null | 0.000141 | 3,707.277889 | 66.786652 |
[
[
4.066118957236302,
5.057518163843364,
8.545236481946436
],
[
2.1293907327636976,
1.0954614830652758,
1.1217317556512645
],
[
4.066118957236302,
1.0954614830652758,
6.847864515651263
],
[
2.129390732763697,
5.057518163843364,
2.819103721946436
],
[
... | [
[
6.19550969,
0,
3.7936555554724553e-16
],
[
-3.7676134149027386e-16,
6.15297964690864,
-1.7852972824022992
],
[
0,
0,
11.45226552
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
48,
48,
48,
48,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003626312> | P2/c | Cd-Pr-Rh | 0.094391 | null | null | 0.000221 | 3,707.277889 | 64.117493 |
[
[
1.0616845349999995,
5.577840800306629,
1.308606362039035
],
[
3.185053605,
2.5797159816408013,
4.325589883762544
],
[
1.0616845349999997,
2.6284795719673846,
7.379527894975034
],
[
3.1850536049999993,
7.712834766615419,
3.5744434526266287
],
[
3.... | [
[
4.24673814,
0,
2.600377134983992e-16
],
[
-4.995062900937352e-16,
8.15755678194743,
-3.145641934198422
],
[
0,
0,
8.77983818
]
] | [
59,
59,
59,
59,
59,
59,
48,
48,
45,
45
] | [
1,
1,
1
] | alex<agm003710611> | P2_1/m | Cd-Pr-Rh | 0.079262 | null | null | -0.000005 | 3,573.163768 | 51.760696 |
[
[
-1.8859007708455182,
-3.910919778025772,
-6.577712562605214
],
[
2.195646052620675,
-6.646148927926762,
-2.0814883982470813
],
[
1.325690497525214,
-4.877616561858517,
-5.115750586049071
],
[
0.1942051489235028,
-1.5336921498878278,
-9.062185894455435
... | [
[
5.160641713709758,
0,
-1.4796113545200238
],
[
0.40303055141713195,
-6.9403933589450615,
1.405704456909497
],
[
-5.160641713709758,
0,
-8.259930245479977
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
48,
48,
45
] | [
1,
1,
1
] | alex<agm003515039> | C2/m | Cd-Pr-Rh | 0.07311 | null | null | -0 | 3,168.424827 | 40.13372 |
[
[
2.129830398633557,
4.363668823870224,
6.418704240000001
],
[
-0.007785034059127171,
0.6855854767775147,
2.13956808
],
[
0.01041775058520883,
3.5912611669303565,
3.8663628979785893
],
[
2.111627613989221,
1.4579931337173824,
4.6919094220214115
],
[
... | [
[
4.22509698,
0,
2.5871257463220745e-16
],
[
-2.1030516154255703,
5.049254300647739,
3.349235206040744e-16
],
[
0,
0,
8.55827232
]
] | [
59,
59,
48,
48,
48,
48,
45,
45
] | [
1,
1,
1
] | alex<agm002235516> | Cmcm | Cd-Pr-Rh | 0 | null | null | 0.000285 | 3,312.441064 | 75.57563 |
[
[
2.1303452750779925,
1.282350357950917,
2.477956964657739
],
[
2.3566632842108185e-10,
3.874796109274708,
4.256735953154824
],
[
2.1498226313050014e-8,
3.2024398944720387,
0.5232225452459505
],
[
0,
0,
0
],
[
2.1303452538154333,
1.954706572753... | [
[
4.26069055,
0,
2.6089205221074375e-16
],
[
-2.1303452746863405,
5.157146467225624,
-0.717089262187437
],
[
0,
0,
7.45178218
]
] | [
59,
59,
48,
48,
48,
45,
45
] | [
1,
1,
1
] | alex<agm003308848> | C2/m | Cd-Pr-Rh | 0.047818 | null | null | 0.000249 | 3,586.694519 | 72.342453 |
[
[
-2.832837677215274,
-1.7347311444882163,
-9.348611303054184
],
[
-7.501942803228261,
-4.593928529545022,
-3.2338608424586686
],
[
-3.7960566278076784,
-2.324572887272592,
-6.1536449972472065
],
[
-6.579293465596383,
-4.028930204965829,
-6.29425904184375
... | [
[
-2.3547803299348407,
-4.61428787507896,
-1.56179064774248
],
[
-5.180409539442683,
0,
-1.56179064774248
],
[
0,
0,
-9.37252156
]
] | [
59,
59,
59,
48,
45,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003585490> | R3m | Cd-Pr-Rh | 0.003353 | null | null | -0.000003 | 5,920.684626 | 149.345108 |
[
[
1.2262489175000002,
-3.5440089368001995,
5.175765884466415
],
[
1.2262489175,
-0.7215927629436045,
4.508880803274844
],
[
1.2262489175000002,
-2.71034027158865,
2.398039237258741
],
[
3.6787467524999995,
3.5440089368001995,
2.8793580655335864
],
[
... | [
[
4.90499567,
0,
3.0034436235485637e-16
],
[
-4.271532503114983e-16,
6.975941971332453,
4.027561975000002
],
[
4.271532503114983e-16,
-6.975941971332453,
4.0275619749999985
]
] | [
3,
3,
3,
3,
3,
3,
12,
12,
12,
12,
12,
12,
13,
13
] | [
1,
1,
1
] | alex<agm003543932> | P6_3/m | Al-Li-Mg | 0.084262 | null | null | 0.000001 | 1,249.968649 | 32.22842 |
[
[
1.2097099780921581e-16,
6.554052294890975,
7.501562093725761e-17
],
[
5.750089030059786e-16,
3.2770261474454876,
5.191048307873203e-16
],
[
-0.7758014737429374,
9.282503959398317,
1.3437275155959685
],
[
-0.7758014737429374,
9.282503959398317,
-1.3437275... | [
[
1.5448049406562216,
4.369368196593985,
2.6756806450000004
],
[
1.5448049406562216,
4.369368196593985,
-2.6756806449999995
],
[
-3.089609881312443,
4.369368196593985,
0
]
] | [
59,
48,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002308728> | F-43m | Cd-Pr-Rh | 0.011799 | null | null | -0.000001 | 5,828.977391 | 148.124741 |
[
[
0,
0,
0
],
[
0,
0,
7.6911047361475395
],
[
0,
0,
3.4140316438524607
],
[
1.8342883349999999,
1.834288335,
5.55256819
],
[
1.8342883349999999,
1.834288335,
9.34642437140305
],
[
1.8342883349999999,
1.834288335,
1.7587120085... | [
[
3.66857667,
0,
2.246355338171078e-16
],
[
-2.246355338171078e-16,
3.66857667,
2.246355338171078e-16
],
[
0,
0,
11.10513638
]
] | [
59,
59,
59,
48,
45,
45
] | [
1,
1,
1
] | alex<agm002351716> | P4/mmm | Cd-Pr-Rh | 0.045524 | null | null | 0.000266 | 4,187.981098 | 82.366028 |
[
[
-2.738382353582015,
-1.613266393962337,
-6.183937048591012
],
[
-2.021204883352567,
-4.839799181887015,
-4.56437492943407
],
[
-2.1081151083182155,
3.440136808572014,
-4.760639554895286
],
[
-4.803004539304711,
-0.21360402064733663,
-2.481234250600627
... | [
[
-6.193942177393478,
0,
2.742812843661028
],
[
-1.4343549404588967,
6.453065575849353,
-3.239124238313886
],
[
1.4343549404588967,
-6.453065575849353,
-5.126000291686113
]
] | [
59,
59,
59,
59,
59,
59,
48,
48,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003422306> | Ibam | Cd-Pr-Rh | 0.056941 | null | null | 0.000075 | 4,187.981098 | 79.905457 |
[
[
0.002762963898720761,
2.482420851285992,
0.25756579322065537
],
[
5.434211012571835,
0.509995922344591,
4.4109981583813695
],
[
0.03319879041263566,
5.6862104515456116,
2.162119797187312
],
[
2.6863162186398797,
2.1192323069205896,
5.9713757278309245
]... | [
[
6.055679804957892,
0,
-1.3231240831446793
],
[
-2.6112115732000807,
7.129309262886309,
-3.563759994991322
],
[
0,
0,
8.38724399
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
48,
48,
45,
45
] | [
1,
1,
1
] | alex<agm003744629> | C2/c | Cd-Pr-Rh | 0.083987 | null | null | 0.000333 | 3,487.570799 | 55.887413 |
[
[
1.8206430599999999,
2.620033886065672,
-0.8402172147665067
],
[
-2.7762345880482557e-16,
4.533935155803581,
5.127865911247147
],
[
-4.3238152417967015e-17,
0.7061326163277625,
2.20192034921984
],
[
1.82064306,
1.5825623523840546,
4.934875164625322
],
... | [
[
3.64128612,
0,
2.2296446958188426e-16
],
[
-3.208616112227926e-16,
5.240067772131344,
-1.6804344295330136
],
[
0,
0,
9.01022069
]
] | [
59,
59,
59,
48,
48,
45
] | [
1,
1,
1
] | alex<agm003417763> | Cmmm | Cd-Pr-Rh | 0.064342 | null | null | 0.000035 | 3,232.663456 | 53.66272 |
[
[
2.1700052675040243e-8,
3.7586515992443053,
5.270032642068153
],
[
0,
0,
0
],
[
2.271559556930919,
1.308291292289118,
3.2880007494666406
],
[
-2.360292912100979e-8,
3.284130776030475,
1.7872520776467131
],
[
2.271559602233901,
1.78281211550294... | [
[
4.54311916,
0,
2.781858168719506e-16
],
[
-2.271559581369028,
5.066942891533423,
-0.31115601846520763
],
[
0,
0,
8.86918941
]
] | [
59,
59,
59,
48,
48,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003342813> | C2/m | Cd-Pr-Rh | 0.088327 | null | null | 0 | 4,622.20403 | 96.706039 |
[
[
1.292032287655777,
2.6932632630457403,
2.8934569188639663
],
[
4.976139002655777,
3.2415295949438137,
2.262354046230815
],
[
2.1637589134848554,
4.343097492664056,
-0.07775414497976628
],
[
5.847865628484856,
0.5301151988103258,
4.3113245544538445
],
... | [
[
7.36821343,
0,
4.51172949624202e-16
],
[
-5.334979848511377e-16,
8.712683285051327,
-1.2299910037363562
],
[
0,
0,
8.7990754
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
48,
48,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003574679> | Cmc2_1 | Cd-Pr-Rh | 0.070829 | null | null | 0.001039 | 4,134.579638 | 70.196449 |
[
[
0,
0,
0
],
[
2.265916205,
-2.4729177306940358,
1.4277397174999997
],
[
2.2659162050000003,
-2.4729177306940358,
4.283219152499999
],
[
2.265916205,
-1.6954018958803155e-16,
2.855479435
],
[
1.0094835944830626e-16,
-1.6486118204626907,
2.8... | [
[
4.53183241,
0,
2.774947027589368e-16
],
[
-3.028450783449187e-16,
4.9458354613880715,
2.855479435000001
],
[
3.028450783449187e-16,
-4.9458354613880715,
2.855479434999999
]
] | [
59,
48,
48,
48,
45,
45
] | [
1,
1,
1
] | alex<agm002308448> | P6/mmm | Cd-Pr-Rh | 0.085173 | null | null | 0.000081 | 3,686.963274 | 85.745308 |
[
[
8.386141586696151e-16,
5.890445021258116,
1.4221433164429696e-15
],
[
0,
0,
0
],
[
3.9452494881955253e-16,
2.9452225106290566,
7.560095016678757e-16
],
[
5.303293817973232e-16,
8.835667531887175,
1.1551608680715473e-15
]
] | [
[
1.3883912062460506,
3.9269633475054113,
2.4047641100000003
],
[
1.3883912062460506,
3.9269633475054113,
-2.4047641099999995
],
[
-2.776782412492101,
3.9269633475054113,
0
]
] | [
59,
48,
45,
45
] | [
1,
1,
1
] | alex<agm002180394> | Fm-3m | Cd-Pr-Rh | 0.083077 | null | null | -0 | 4,855.787499 | 112.234489 |
[
[
1.8744765449999998,
2.276141835,
2.2761418350000002
],
[
1.874476545,
0,
1.1477858504555198e-16
],
[
-1.3937349063190662e-16,
2.276141835,
1.3937349063190662e-16
],
[
0,
0,
2.276141835
]
] | [
[
3.74895309,
0,
2.2955717009110396e-16
],
[
-2.7874698126381324e-16,
4.55228367,
2.7874698126381324e-16
],
[
0,
0,
4.55228367
]
] | [
59,
48,
45,
45
] | [
1,
1,
1
] | alex<agm001220841> | P4/mmm | Cd-Pr-Rh | 0.040598 | null | null | 0.000066 | 4,855.787499 | 114.819122 |
[
[
-4.7436953741203585,
-0.4713934816857961,
-3.98790179699542
],
[
-4.601761192783016,
-2.7907706617545487,
-3.1086349741524977
],
[
-0.4715324983410501,
0.4713934816857974,
-2.7210037863046366
],
[
-1.2238429179838244,
-2.4727741375327126,
-6.325259426583... | [
[
-5.2152278724614085,
0,
0.8418594666999438
],
[
-0.3053154806529124,
4.989226357426993,
-1.8913962099122485
],
[
0.3053154806529124,
-4.989226357426993,
-5.659368840087751
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
12,
13,
13
] | [
1,
1,
1
] | alex<agm003519497> | C2/m | Al-Li-Mg | 0.077974 | null | null | 0.000187 | 2,237.234331 | 27.194796 |
[
[
-4.954119445382191,
-4.436785079678273,
-5.608316967950637
],
[
-2.6471205938152504,
-2.370694789302266,
-2.9966761008040925
],
[
-6.821267601274945,
-6.108956122573805,
-7.722024317928195
],
[
-0.7799724379224966,
-0.6985237464067344,
-0.882968750826535... | [
[
-0.7523159318706736,
-6.807479868980541,
-0.8516601693773656
],
[
-6.848924107326768,
0,
-0.8516601693773656
],
[
0,
0,
-6.90167273
]
] | [
59,
59,
48,
48,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003301391> | R-3m | Cd-Pr-Rh | 0.061332 | null | null | 0.003748 | 6,591.759591 | 172.578293 |
[
[
4.999901335461058,
4.258398847075433,
5.780439497979189
],
[
0.5553754037896476,
2.988956812924568,
1.6748062394924366
],
[
3.333013773415001,
0.6347210170754322,
0.7537252932282484
],
[
2.222262965835705,
6.612634642924568,
6.701520444243377
],
[
... | [
[
5.555276739250706,
0,
-1.8421618925283756
],
[
-4.437725455650727e-16,
7.24735566,
4.437725455650727e-16
],
[
0,
0,
9.29740763
]
] | [
59,
59,
59,
59,
48,
48,
48,
48,
48,
48,
45,
45,
45,
45,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003334626> | Cmce | Cd-Pr-Rh | 0.044907 | null | null | -0.000003 | 4,467.97228 | 105.028404 |
[
[
4.0073794564810745,
0.15972896891259628,
5.605767443172638
],
[
-0.058139195647948956,
2.6444286663949916,
6.8092845032516784
],
[
-0.3095491126848188,
5.5058199809832296,
0.3355364249890791
],
[
4.872496878334567,
4.876110490879551,
1.6012735483589224
... | [
[
6.827946301539199,
0,
-2.146606393680591
],
[
-2.5398776593993215,
6.3536570623025295,
-2.139757258803113
],
[
0,
0,
8.93319924
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
48,
48,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003458452> | Cc | Cd-Pr-Rh | 0.05156 | null | null | 0.000188 | 4,014.137011 | 67.554115 |
[
[
-3.6547824432427998,
0.8427416780344718,
-6.1924971418168795
],
[
-0.37284639707662726,
-0.842741678034473,
-1.519294172290196
],
[
-0.45296791585072527,
3.5279686554816254,
-1.8457774564319773
],
[
-2.827226621365738,
0.9848931312385696,
-2.820329206376... | [
[
-4.027628840319427,
0,
0.9884109458929233
],
[
-0.9059358317014504,
7.055937310963251,
-3.6915549128639547
],
[
0.9059358317014504,
-7.055937310963251,
-5.008647347136044
]
] | [
59,
59,
59,
48,
48,
48,
48,
45,
45,
45,
45
] | [
1,
1,
1
] | alex<agm003377984> | Immm | Cd-Pr-Rh | 0.080574 | null | null | -0 | 4,040.497658 | 91.66217 |
[
[
1.641626410726429e-16,
-2.680979384210031,
1.5478641691654993
],
[
4.15399099,
-8.346339132156171e-16,
4.491529631669001
],
[
4.15399099,
2.6809793842100307,
1.5478641691654995
],
[
2.0769954950000002,
-4.946010459680569,
2.855580470311281
],
[
2... | [
[
4.15399099,
0,
2.5435858847952224e-16
],
[
-4.0234289664001014e-16,
6.57075814708595,
3.793628985000001
],
[
4.0234289664001014e-16,
-6.57075814708595,
3.7936289849999985
]
] | [
59,
59,
59,
48,
48,
48,
45,
45,
45
] | [
1,
1,
1
] | alex<agm002235539> | P-62m | Cd-Pr-Rh | 0 | null | null | 0.000037 | 3,947.492092 | 80.836845 |
[
[
1.9429145599999995,
6.092603407121959,
4.907278643475041
],
[
1.94291456,
1.3222614647604962,
8.112298935085226
],
[
1.94291456,
1.7241810581726251,
4.175426940574702
],
[
1.9429145599999995,
6.494523000534087,
0.970406648964517
],
[
-2.625651249... | [
[
3.88582912,
0,
2.379384096920788e-16
],
[
-4.786400037523883e-16,
7.8167844652945835,
-0.5669429759502566
],
[
0,
0,
9.64964856
]
] | [
59,
59,
59,
59,
48,
48,
48,
48,
48,
45,
45
] | [
1,
1,
1
] | alex<agm003366878> | P2/m | Cd-Pr-Rh | 0.016919 | null | null | 0.000321 | 3,097.577838 | 59.70681 |
[
[
2.652550547101961,
1.5302704135849337,
-3.749106380219467
],
[
-2.6525505471019617,
-1.530270413584933,
-3.7491063797805353
],
[
0,
0,
0
],
[
1.2569309205558337,
-2.178747475354697,
-1.7765421048219907
],
[
2.274353400190941,
-3.9423341789850... | [
[
-3.539458933830535,
-6.121081654339732,
-2.495552928249521
],
[
-3.5312843207467757,
6.121081654339732,
-2.5071069026230948
],
[
7.070743254577311,
0,
-2.4955529291273852
]
] | [
55,
55,
46,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm002139212> | I4/mmm | Br-Cs-Pd | 0.052694 | null | null | 0.000012 | 6,756.552445 | 10.290391 |
[
[
0,
0,
0
],
[
2.66769,
2.66769,
2.6676900000000003
],
[
-1.6334890098087013e-16,
2.66769,
2.66769
],
[
2.66769,
0,
2.66769
],
[
2.66769,
2.66769,
3.2669780196174025e-16
]
] | [
[
5.33538,
0,
3.2669780196174025e-16
],
[
-3.2669780196174025e-16,
5.33538,
3.2669780196174025e-16
],
[
0,
0,
5.33538
]
] | [
55,
46,
35,
35,
35
] | [
1,
1,
1
] | mp-998307 | Pm-3m | Br-Cs-Pd | 0.041155 | 0 | null | -0.000002 | 6,894.670758 | 17.386482 |
[
[
0,
0,
0
],
[
2.38490564,
1.664454170398438,
2.8829191900000004
],
[
1.5174600763267933e-16,
-2.478200371541097,
1.473469425154751
],
[
2.2632555505280154e-18,
-0.03696176811312002,
2.8829191900000004
],
[
1.517460076326793e-16,
-2.47820037154... | [
[
4.76981128,
0,
2.92066705829447e-16
],
[
-3.0575527081588657e-16,
4.993362511195314,
2.882919190000001
],
[
3.0575527081588657e-16,
-4.993362511195314,
2.882919189999999
]
] | [
3,
12,
13,
13,
13,
13,
13,
13
] | [
1,
1,
1
] | alex<agm003772168> | P-6m2 | Al-Li-Mg | 0.048653 | null | null | 0 | 1,052.081124 | 60.644192 |
[
[
-3.6683847435003605,
-2.2866261485969104,
-1.7303046659091696
],
[
-0.38489393696188734,
-4.305526962763481,
-5.66897429090917
],
[
0,
0,
-3.938669625
],
[
0,
0,
0
],
[
-2.0669739433222776,
-1.0146286751953209,
-4.860864392063937
],
[... | [
[
3.334018792293653,
-6.592153111360391,
0.23903014659083036
],
[
-7.3872974727559,
0,
0.23903014659083036
],
[
0,
0,
-7.87733925
]
] | [
55,
55,
46,
46,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003705122> | C2/c | Br-Cs-Pd | 0.015886 | null | null | -0 | 6,894.670758 | 7.608848 |
[
[
2.2347836351147534,
5.264563022201252,
1.4159832215217913
],
[
5.308163974885247,
2.9187304571298833,
10.643018388054243
],
[
6.006257440114753,
2.9187304571298833,
4.037216008054243
],
[
1.5366901698852458,
5.264563022201252,
8.021785601521792
],
[
... | [
[
7.54294761,
0,
4.618723323361339e-16
],
[
-5.010822082973141e-16,
8.183293479331136,
-1.1526031504239658
],
[
0,
0,
13.21160476
]
] | [
55,
55,
55,
55,
46,
46,
46,
46,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003048769> | P2_1/c | Br-Cs-Pd | 0.030472 | null | null | 0 | 6,894.670758 | 6.321042 |
[
[
5.331139741758334,
2.4557668638214234,
4.989122849017489
],
[
2.0501245096846428,
4.927613030876122,
7.47296356090278
],
[
1.039047093914229,
6.278075668050699,
3.0670148648397686
],
[
6.342217157528749,
1.1053042266468478,
9.395071545080501
],
[
... | [
[
6.200021058298819,
0,
1.0241342542304541
],
[
1.1812431931441592,
7.383379894697546,
1.639248145689816
],
[
0,
0,
9.79870401
]
] | [
55,
55,
46,
46,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003048756> | P-1 | Br-Cs-Pd | 0.020068 | null | null | 0.000019 | 6,894.670758 | 7.332943 |
[
[
1.7990604524999998,
4.828105545440771,
5.846113844613192
],
[
5.3971813575,
1.7147861909873496,
-0.6158630252470664
],
[
1.7990604525,
0.0469688026191229,
4.282535645562328
],
[
5.3971813575,
6.495922933808997,
0.9477151738037974
],
[
3.598051677... | [
[
7.19624181,
0,
4.406427249253428e-16
],
[
-4.0063657110921827e-16,
6.54289173642812,
-3.139139690633875
],
[
0,
0,
8.36939051
]
] | [
55,
55,
46,
46,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | alex<agm003048765> | Cmcm | Br-Cs-Pd | 0.09774 | null | null | -0.000026 | 6,894.670758 | 5.565614 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.