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{
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"results": [
{
"id": "mp-1232229",
"created_at": "2022-09-04T14:43:22.218892Z",
"structure_string": "Yb8 Mg4 S16\n1.0\n8.513233 -0.501916 0.953115\n-0.630270 8.938861 1.696385\n1.011654 1.365375 9.361083\nYb Mg S\n8 4 16\ndirect\n0.105243 0.661962 0.679785 Yb\n0.894757 0.338038 0.320215 Yb\n0.252068 0.853960 0.993467 Yb\n0.747932 0.146040 0.006533 Yb\n0.366998 0.541303 0.346509 Yb\n0.633002 0.458697 0.653491 Yb\n0.366520 0.035228 0.361171 Yb\n0.633480 0.964772 0.638829 Yb\n0.118211 0.180572 0.631027 Mg\n0.881789 0.819428 0.368973 Mg\n0.247506 0.324981 0.950570 Mg\n0.752494 0.675019 0.049430 Mg\n0.117008 0.533880 0.014973 S\n0.882992 0.466120 0.985027 S\n0.063436 0.110160 0.920392 S\n0.936564 0.889840 0.079608 S\n0.184345 0.770706 0.347557 S\n0.815655 0.229294 0.652443 S\n0.192573 0.268509 0.352409 S\n0.807427 0.731491 0.647591 S\n0.288629 0.939138 0.675160 S\n0.711371 0.060862 0.324840 S\n0.291228 0.418383 0.666506 S\n0.708772 0.581617 0.333494 S\n0.418953 0.123049 0.048264 S\n0.581047 0.876951 0.951736 S\n0.474234 0.634507 0.020287 S\n0.525766 0.365493 0.979713 S\n",
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"spacegroup": 2
},
{
"id": "mp-774745",
"created_at": "2022-09-04T14:43:22.223551Z",
"structure_string": "Li12 Cu4 S12\n1.0\n10.785977 0.000000 0.000000\n0.000000 10.785977 0.000000\n0.000000 0.000000 4.491663\nLi Cu S\n12 4 12\ndirect\n0.358934 0.109519 0.500000 Li\n0.609518 0.141066 0.000000 Li\n0.161900 0.161900 0.000000 Li\n0.661900 0.338100 0.500000 Li\n0.109519 0.358934 0.500000 Li\n0.858934 0.390481 0.000000 Li\n0.141066 0.609518 0.000000 Li\n0.890482 0.641066 0.500000 Li\n0.338100 0.661900 0.500000 Li\n0.838100 0.838100 0.000000 Li\n0.390481 0.858934 0.000000 Li\n0.641066 0.890482 0.500000 Li\n0.887096 0.112904 0.500000 Cu\n0.387096 0.387096 0.000000 Cu\n0.612904 0.612904 0.000000 Cu\n0.112904 0.887096 0.500000 Cu\n0.094687 0.094687 0.500000 S\n0.679724 0.110929 0.500000 S\n0.389071 0.179724 0.000000 S\n0.889071 0.320276 0.500000 S\n0.179724 0.389071 0.000000 S\n0.594687 0.405313 0.000000 S\n0.405313 0.594687 0.000000 S\n0.820276 0.610929 0.000000 S\n0.110929 0.679724 0.500000 S\n0.610929 0.820276 0.000000 S\n0.320276 0.889071 0.500000 S\n0.905313 0.905313 0.500000 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 2.2951660513271035,
"density_atomic": 0.053583599850519525,
"volume": 522.5479452315767,
"volume_molar": 11.238776000119021,
"formula_full": "Li12 Cu4 S12",
"formula_reduced": "Li3CuS3",
"formula_anonymous": "AB3C3",
"energy": -118.19138267,
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"updated_at": "2021-11-28T01:36:22.856000Z",
"spacegroup": 136
},
{
"id": "mp-540618",
"created_at": "2022-09-04T14:43:22.232664Z",
"structure_string": "K12 I4 O20\n1.0\n6.317647 0.000000 0.000000\n0.000000 6.317647 0.000000\n0.000000 0.000000 16.864447\nK I O\n12 4 20\ndirect\n0.500000 0.000000 0.388102 K\n0.000000 0.500000 0.111898 K\n0.000000 0.500000 0.611898 K\n0.500000 0.000000 0.888102 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.250000 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.500000 0.500000 0.750000 K\n0.500000 0.000000 0.128468 I\n0.000000 0.500000 0.371532 I\n0.000000 0.500000 0.871532 I\n0.500000 0.000000 0.628468 I\n0.500000 0.000000 0.236895 O\n0.000000 0.500000 0.263105 O\n0.000000 0.500000 0.763105 O\n0.500000 0.000000 0.736895 O\n0.693882 0.216596 0.106100 O\n0.283404 0.193882 0.106100 O\n0.716596 0.806118 0.106100 O\n0.193882 0.283404 0.393900 O\n0.806118 0.716596 0.393900 O\n0.306118 0.783404 0.106100 O\n0.216596 0.693882 0.393900 O\n0.783404 0.306118 0.393900 O\n0.806118 0.283404 0.893900 O\n0.216596 0.306118 0.893900 O\n0.783404 0.693882 0.893900 O\n0.306118 0.216596 0.606100 O\n0.693882 0.783404 0.606100 O\n0.193882 0.716596 0.893900 O\n0.283404 0.806118 0.606100 O\n0.716596 0.193882 0.606100 O\n",
"nsites": 36,
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"elements": [
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"I",
"O"
],
"chemical_system": "I-K-O",
"density": 3.1991486468354524,
"density_atomic": 0.05348348324522572,
"volume": 673.1050001911308,
"volume_molar": 11.25981404836338,
"formula_full": "K12 I4 O20",
"formula_reduced": "K3IO5",
"formula_anonymous": "AB3C5",
"energy": -172.95390496000002,
"energy_per_atom": -4.804275137777778,
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"updated_at": "2021-11-28T01:36:08.101000Z",
"spacegroup": 130
},
{
"id": "mp-1246801",
"created_at": "2022-09-04T14:43:22.240582Z",
"structure_string": "Pt3 C24 N18\n1.0\n14.348666 2.000029 1.058456\n-5.442257 9.426266 -2.116913\n0.410263 -0.710595 6.271760\nPt C N\n3 24 18\ndirect\n0.000000 0.989371 0.925378 Pt\n0.324475 0.696201 0.093005 Pt\n0.675525 0.371727 0.093005 Pt\n0.000000 0.616373 0.075197 C\n0.629667 0.990919 0.274107 C\n0.370333 0.361252 0.274107 C\n0.000000 0.734946 0.039538 C\n0.692073 0.981438 0.418903 C\n0.307927 0.289365 0.418903 C\n0.093897 0.609849 0.084740 C\n0.542116 0.882724 0.192916 C\n0.350002 0.461935 0.222067 C\n0.906103 0.515952 0.084740 C\n0.649998 0.111932 0.222067 C\n0.457884 0.340608 0.192916 C\n0.691473 0.702648 0.805181 C\n0.000000 0.302998 0.622071 C\n0.308527 0.011175 0.805181 C\n0.778633 0.816824 0.857141 C\n0.000000 0.213436 0.732155 C\n0.221367 0.038190 0.857141 C\n0.620704 0.679625 0.647267 C\n0.089941 0.397369 0.567770 C\n0.317861 0.920561 0.904406 C\n0.379296 0.058920 0.647267 C\n0.682139 0.602700 0.904406 C\n0.910059 0.307428 0.567770 C\n0.000000 0.833568 0.009153 N\n0.742549 0.970644 0.537167 N\n0.257451 0.228095 0.537167 N\n0.177601 0.623430 0.086962 N\n0.470101 0.790320 0.113318 N\n0.335093 0.546585 0.175587 N\n0.822399 0.445830 0.086962 N\n0.664907 0.211492 0.175587 N\n0.529899 0.320219 0.113318 N\n0.853558 0.908058 0.919410 N\n0.000000 0.143486 0.837911 N\n0.146442 0.054500 0.919410 N\n0.561437 0.657154 0.516209 N\n0.161799 0.480307 0.523715 N\n0.320803 0.843213 0.990709 N\n0.438563 0.095717 0.516209 N\n0.679197 0.522410 0.990709 N\n0.838201 0.318507 0.523715 N\n",
"nsites": 45,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-N-Pt",
"density": 2.092581611012085,
"density_atomic": 0.05037909864424089,
"volume": 893.2275727633369,
"volume_molar": 11.953649275319904,
"formula_full": "Pt3 C24 N18",
"formula_reduced": "Pt(C4N3)2",
"formula_anonymous": "AB6C8",
"energy": -373.14401301,
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"updated_at": "2021-11-28T01:36:13.037000Z",
"spacegroup": 8
},
{
"id": "mp-774501",
"created_at": "2022-09-04T14:43:22.242479Z",
"structure_string": "Li9 Fe2 O8\n1.0\n4.566205 4.594990 0.000000\n-4.566205 4.594990 0.000000\n0.000000 0.032938 4.694480\nLi Fe O\n9 2 8\ndirect\n0.950580 0.049420 0.500000 Li\n0.751608 0.751754 0.438110 Li\n0.732881 0.727241 0.927145 Li\n0.534383 0.465617 0.500000 Li\n0.464030 0.955588 0.995893 Li\n0.272760 0.267119 0.072855 Li\n0.248246 0.248392 0.561890 Li\n0.044412 0.535970 0.004107 Li\n0.031635 0.968365 0.000000 Li\n0.746713 0.253287 0.000000 Fe\n0.249396 0.750604 0.500000 Fe\n0.993182 0.770241 0.711709 O\n0.758180 0.498845 0.189332 O\n0.753655 0.989705 0.172007 O\n0.505292 0.743916 0.686570 O\n0.501155 0.241820 0.810668 O\n0.256084 0.494708 0.313430 O\n0.229759 0.006818 0.288291 O\n0.010295 0.246345 0.827993 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.5469491140147382,
"density_atomic": 0.09644864625103226,
"volume": 196.99602574563505,
"volume_molar": 6.243883137898939,
"formula_full": "Li9 Fe2 O8",
"formula_reduced": "Li9(FeO4)2",
"formula_anonymous": "A2B8C9",
"energy": -110.00422572,
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"updated_at": "2021-11-28T01:36:20.777000Z",
"spacegroup": 5
},
{
"id": "mp-1204297",
"created_at": "2022-09-04T14:43:22.245562Z",
"structure_string": "K16 Bi8 Br40 O16\n1.0\n8.560538 0.000000 0.000000\n0.000000 14.065132 0.000000\n0.000000 0.000000 21.369251\nK Bi Br O\n16 8 40 16\ndirect\n0.989522 0.348624 0.750000 K\n0.489522 0.151376 0.750000 K\n0.010478 0.651376 0.250000 K\n0.510478 0.848624 0.250000 K\n0.824616 0.656868 0.750000 K\n0.324616 0.843132 0.750000 K\n0.175384 0.343132 0.250000 K\n0.675384 0.156868 0.250000 K\n0.040652 0.303546 0.520634 K\n0.540652 0.196454 0.979366 K\n0.959348 0.696454 0.020634 K\n0.459348 0.803546 0.479366 K\n0.959348 0.696454 0.479366 K\n0.459348 0.803546 0.020634 K\n0.040652 0.303546 0.979366 K\n0.540652 0.196454 0.520634 K\n0.902637 0.014321 0.641403 Bi\n0.402637 0.485679 0.858597 Bi\n0.097363 0.985679 0.141403 Bi\n0.597363 0.514321 0.358597 Bi\n0.097363 0.985679 0.358597 Bi\n0.597363 0.514321 0.141403 Bi\n0.902637 0.014321 0.858597 Bi\n0.402637 0.485679 0.641403 Bi\n0.617650 0.972748 0.577180 Br\n0.117650 0.527252 0.922820 Br\n0.382350 0.027252 0.077180 Br\n0.882350 0.472748 0.422820 Br\n0.382350 0.027252 0.422820 Br\n0.882350 0.472748 0.077180 Br\n0.617650 0.972748 0.922820 Br\n0.117650 0.527252 0.577180 Br\n0.121494 0.071873 0.558454 Br\n0.621494 0.428127 0.941546 Br\n0.878506 0.928127 0.058454 Br\n0.378506 0.571873 0.441546 Br\n0.878506 0.928127 0.441546 Br\n0.378506 0.571873 0.058454 Br\n0.121494 0.071873 0.941546 Br\n0.621494 0.428127 0.558454 Br\n0.790002 0.202794 0.650884 Br\n0.290002 0.297206 0.849116 Br\n0.209998 0.797206 0.150884 Br\n0.709998 0.702794 0.349116 Br\n0.209998 0.797206 0.349116 Br\n0.709998 0.702794 0.150884 Br\n0.790002 0.202794 0.849116 Br\n0.290002 0.297206 0.650884 Br\n0.023074 0.814576 0.632901 Br\n0.523074 0.685424 0.867099 Br\n0.976926 0.185424 0.132901 Br\n0.476926 0.314576 0.367099 Br\n0.976926 0.185424 0.367099 Br\n0.476926 0.314576 0.132901 Br\n0.023074 0.814576 0.867099 Br\n0.523074 0.685424 0.632901 Br\n0.699190 0.934411 0.750000 Br\n0.199190 0.565589 0.750000 Br\n0.300810 0.065589 0.250000 Br\n0.800810 0.434411 0.250000 Br\n0.111410 0.052384 0.750000 Br\n0.611410 0.447616 0.750000 Br\n0.888590 0.947616 0.250000 Br\n0.388590 0.552384 0.250000 Br\n0.966206 0.513009 0.676777 O\n0.466206 0.986991 0.823223 O\n0.033794 0.486991 0.176777 O\n0.533794 0.013009 0.323223 O\n0.033794 0.486991 0.323223 O\n0.533794 0.013009 0.176777 O\n0.966206 0.513009 0.823223 O\n0.466206 0.986991 0.676777 O\n0.682302 0.702784 0.543157 O\n0.182302 0.797216 0.956843 O\n0.317698 0.297216 0.043157 O\n0.817698 0.202784 0.456843 O\n0.317698 0.297216 0.456843 O\n0.817698 0.202784 0.043157 O\n0.682302 0.702784 0.956843 O\n0.182302 0.797216 0.543157 O\n",
"nsites": 80,
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"elements": [
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"Bi",
"Br",
"O"
],
"chemical_system": "Bi-Br-K-O",
"density": 3.7106502310480116,
"density_atomic": 0.031092512312191012,
"volume": 2572.9667386392875,
"volume_molar": 19.3684598386049,
"formula_full": "K16 Bi8 Br40 O16",
"formula_reduced": "K2BiBr5O2",
"formula_anonymous": "AB2C2D5",
"energy": -249.03903612,
"energy_per_atom": -3.1129879515,
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"updated_at": "2021-11-28T01:36:17.035000Z",
"spacegroup": 62
},
{
"id": "mp-865524",
"created_at": "2022-09-04T14:43:22.248289Z",
"structure_string": "Y1 Cd1 Pt2\n1.0\n0.000000 3.403444 3.403444\n3.403444 0.000000 3.403444\n3.403444 3.403444 0.000000\nY Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
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],
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"density": 12.456811701238312,
"density_atomic": 0.0507310870339934,
"volume": 78.84711788887391,
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"formula_full": "Y1 Cd1 Pt2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "mp-774681",
"created_at": "2022-09-04T14:43:22.287316Z",
"structure_string": "Li5 Mn2 V5 O12\n1.0\n4.529136 2.649260 0.000000\n-4.529136 2.649260 0.000000\n0.000000 1.718239 9.829985\nLi Mn V O\n5 2 5 12\ndirect\n0.829544 0.661574 0.761583 Li\n0.685833 0.846811 0.237732 Li\n0.338426 0.170456 0.238417 Li\n0.153189 0.314167 0.762268 Li\n0.081916 0.918084 0.000000 Li\n0.753892 0.246108 0.000000 Mn\n0.247748 0.752252 0.500000 Mn\n0.000608 0.513513 0.241054 V\n0.486487 0.999392 0.758946 V\n0.578651 0.421349 0.500000 V\n0.422876 0.577124 0.000000 V\n0.917290 0.082710 0.500000 V\n0.066169 0.239300 0.122970 O\n0.760700 0.933831 0.877030 O\n0.842209 0.348673 0.621400 O\n0.651327 0.157791 0.378600 O\n0.715740 0.542988 0.127922 O\n0.457012 0.284260 0.872078 O\n0.565209 0.731824 0.617241 O\n0.268176 0.434791 0.382759 O\n0.361821 0.840659 0.130184 O\n0.159341 0.638179 0.869816 O\n0.220595 0.064760 0.618857 O\n0.935240 0.779405 0.381143 O\n",
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"formula_full": "Li5 Mn2 V5 O12",
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