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{
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"results": [
{
"id": "mp-22880",
"created_at": "2022-09-04T14:47:58.378015Z",
"structure_string": "Fe1 Br2\n1.0\n1.864001 -3.228544 0.000000\n1.864001 3.228544 0.000000\n0.000000 0.000000 6.557841\nFe Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.228669 Br\n0.333333 0.666667 0.771331 Br\n",
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{
"id": "mp-555160",
"created_at": "2022-09-04T14:39:24.539513Z",
"structure_string": "Cs4 Y4 Se4 Cl8 O12\n1.0\n7.082534 0.000000 0.000000\n0.000000 6.716766 0.000000\n0.000000 4.149509 17.698155\nCs Y Se Cl O\n4 4 4 8 12\ndirect\n0.207375 0.756332 0.054876 Cs\n0.292625 0.756332 0.554876 Cs\n0.707375 0.243668 0.445124 Cs\n0.792625 0.243668 0.945124 Cs\n0.325826 0.140192 0.742341 Y\n0.674174 0.859808 0.257659 Y\n0.825826 0.859808 0.757659 Y\n0.174174 0.140192 0.242341 Y\n0.821095 0.361552 0.707280 Se\n0.178905 0.638448 0.292720 Se\n0.678905 0.361552 0.207280 Se\n0.321095 0.638448 0.792720 Se\n0.184331 0.126191 0.389727 Cl\n0.154637 0.231991 0.091581 Cl\n0.684331 0.873809 0.110273 Cl\n0.654637 0.768009 0.408419 Cl\n0.315669 0.126191 0.889727 Cl\n0.845363 0.768009 0.908419 Cl\n0.345363 0.231991 0.591581 Cl\n0.815669 0.873809 0.610273 Cl\n0.849215 0.177259 0.243934 O\n0.501215 0.817409 0.765236 O\n0.998785 0.817409 0.265236 O\n0.001215 0.182591 0.734764 O\n0.150785 0.822741 0.756066 O\n0.498785 0.182591 0.234764 O\n0.829833 0.506715 0.772514 O\n0.670167 0.506715 0.272514 O\n0.329833 0.493285 0.727486 O\n0.650785 0.177259 0.743934 O\n0.349215 0.822741 0.256066 O\n0.170167 0.493285 0.227486 O\n",
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"formula_full": "Cs4 Y4 Se4 Cl8 O12",
"formula_reduced": "CsYSeCl2O3",
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"spacegroup": 14
},
{
"id": "mp-504564",
"created_at": "2022-09-04T14:42:07.211097Z",
"structure_string": "Si4 Pb8 S16\n1.0\n6.814757 0.000000 0.000000\n0.000000 6.699429 0.000000\n0.000000 5.284306 16.136450\nSi Pb S\n4 8 16\ndirect\n0.754313 0.214049 0.102289 Si\n0.245687 0.785951 0.897711 Si\n0.254313 0.785951 0.397711 Si\n0.745687 0.214049 0.602289 Si\n0.735569 0.756610 0.019785 Pb\n0.764431 0.756610 0.519785 Pb\n0.328473 0.256348 0.715915 Pb\n0.671527 0.743652 0.284085 Pb\n0.171527 0.256348 0.215915 Pb\n0.264431 0.243390 0.980215 Pb\n0.828473 0.743652 0.784085 Pb\n0.235569 0.243390 0.480215 Pb\n0.503369 0.989385 0.372587 S\n0.266398 0.616687 0.026486 S\n0.716596 0.420473 0.676320 S\n0.495690 0.987627 0.863890 S\n0.783404 0.420473 0.176320 S\n0.733602 0.383313 0.973514 S\n0.995690 0.012373 0.636110 S\n0.496631 0.010615 0.627413 S\n0.233602 0.616687 0.526486 S\n0.004310 0.987627 0.363890 S\n0.003369 0.010615 0.127413 S\n0.216596 0.579527 0.823680 S\n0.996631 0.989385 0.872587 S\n0.766398 0.383313 0.473514 S\n0.283404 0.579527 0.323680 S\n0.504310 0.012373 0.136110 S\n",
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"elements": [
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"volume": 736.7093128929816,
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"formula_full": "Si4 Pb8 S16",
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"spacegroup": 14
},
{
"id": "mp-1183754",
"created_at": "2022-09-04T14:48:13.792602Z",
"structure_string": "Ce6 Ag2\n1.0\n6.829493 0.000000 0.000000\n-3.414746 5.914514 0.000000\n0.000000 0.000000 5.211179\nCe Ag\n6 2\ndirect\n0.175624 0.351249 0.250001 Ce\n0.648749 0.824375 0.250001 Ce\n0.175625 0.824375 0.250001 Ce\n0.824377 0.648751 0.750001 Ce\n0.351251 0.175626 0.750001 Ce\n0.824377 0.175626 0.750001 Ce\n0.333333 0.666665 0.750001 Ag\n0.666666 0.333332 0.250001 Ag\n",
"nsites": 8,
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"density": 8.333880911418715,
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"volume": 210.49584102148688,
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"formula_full": "Ce6 Ag2",
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"updated_at": "2021-11-28T01:40:07.030000Z",
"spacegroup": 194
},
{
"id": "mp-1215393",
"created_at": "2022-09-04T14:42:55.159121Z",
"structure_string": "Zr3 Te2\n1.0\n4.440015 -3.052758 0.000000\n4.440015 3.052758 0.000000\n2.341074 0.000000 4.853086\nZr Te\n3 2\ndirect\n0.000000 0.645514 0.354486 Zr\n0.645514 0.354486 0.000000 Zr\n0.354486 0.000000 0.645514 Zr\n0.159155 0.159155 0.159155 Te\n0.840845 0.840845 0.840845 Te\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Te-Zr",
"density": 6.67536279565575,
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"volume": 131.56028280626276,
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"formula_full": "Zr3 Te2",
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"spacegroup": 155
},
{
"id": "mp-1026780",
"created_at": "2022-09-04T14:45:18.009230Z",
"structure_string": "Cs1 La1 Mg14\n1.0\n6.704539 0.019389 0.000000\n-3.335478 5.777217 0.000000\n0.000000 0.000000 10.851495\nCs La Mg\n1 1 14\ndirect\n0.168144 0.834071 0.125000 Cs\n0.181296 0.340648 0.125000 La\n0.160217 0.330108 0.625000 Mg\n0.163347 0.831673 0.625000 Mg\n0.668962 0.331541 0.125000 Mg\n0.668499 0.333059 0.625000 Mg\n0.668962 0.837419 0.125000 Mg\n0.668499 0.835439 0.625000 Mg\n0.340662 0.177698 0.397693 Mg\n0.340662 0.177698 0.852307 Mg\n0.340662 0.662965 0.397693 Mg\n0.340662 0.662965 0.852307 Mg\n0.828369 0.164185 0.378686 Mg\n0.828369 0.164185 0.871314 Mg\n0.816345 0.658173 0.388309 Mg\n0.816345 0.658173 0.861691 Mg\n",
"nsites": 16,
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],
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"volume": 421.01899712048424,
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"formula_full": "Cs1 La1 Mg14",
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"energy": -25.76761669,
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{
"id": "mp-28117",
"created_at": "2022-09-04T14:42:12.494758Z",
"structure_string": "V2 Cl6\n1.0\n6.780937 -3.046192 0.000000\n6.780937 3.046192 0.000000\n5.412501 0.000000 5.095609\nV Cl\n2 6\ndirect\n0.333334 0.333334 0.333334 V\n0.666666 0.666666 0.666666 V\n0.710582 0.069181 0.427845 Cl\n0.069181 0.427845 0.710582 Cl\n0.572155 0.289418 0.930819 Cl\n0.930819 0.572155 0.289418 Cl\n0.289418 0.930819 0.572155 Cl\n0.427845 0.710582 0.069181 Cl\n",
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],
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"formula_full": "V2 Cl6",
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{
"id": "mp-1518750",
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"structure_string": "Na1 Eu1 Fe4 O12\n1.0\n0.000000 -4.785930 -5.066980\n0.000000 -4.785930 5.066980\n-9.765985 0.000000 0.000000\nNa Eu Fe O\n1 1 4 12\ndirect\n0.001604 -0.001604 0.500000 Na\n0.481224 0.518776 0.000000 Eu\n0.546388 0.021839 0.267286 Fe\n0.546388 0.021839 0.732714 Fe\n0.978161 0.453612 0.732714 Fe\n0.978161 0.453612 0.267286 Fe\n0.297703 0.303541 0.260386 O\n0.696459 0.702297 0.260386 O\n0.696459 0.702297 0.739614 O\n0.297703 0.303541 0.739614 O\n0.174354 0.825646 0.172996 O\n0.794129 0.205871 0.297178 O\n0.794129 0.205871 0.702822 O\n0.174354 0.825646 0.827004 O\n0.571306 0.039105 0.000000 O\n0.428973 0.932091 0.500000 O\n0.960895 0.428694 0.000000 O\n0.067909 0.571027 0.500000 O\n",
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"formula_full": "Na1 Eu1 Fe4 O12",
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{
"id": "mp-1225068",
"created_at": "2022-09-04T14:39:24.173871Z",
"structure_string": "Ga6 Cu6 Te8 Se4\n1.0\n-0.003998 0.000000 -7.253312\n0.000000 -8.487180 0.000000\n-10.258997 -4.243590 0.103924\nGa Cu Te Se\n6 6 8 4\ndirect\n0.351051 0.527091 0.677467 Ga\n0.851051 0.795441 0.677467 Ga\n0.162423 0.456886 0.330658 Ga\n0.662423 0.212456 0.330658 Ga\n0.495790 0.110644 0.997501 Ga\n0.995790 0.891855 0.997501 Ga\n0.019131 0.362221 0.005736 Cu\n0.519131 0.632043 0.005736 Cu\n0.824747 0.270219 0.674314 Cu\n0.324747 0.055466 0.674314 Cu\n0.667631 0.723302 0.321800 Cu\n0.167631 0.954898 0.321800 Cu\n0.822452 0.424473 0.421926 Te\n0.322452 0.153601 0.421926 Te\n0.341015 0.667139 0.416048 Te\n0.841015 0.916812 0.416048 Te\n0.001502 0.482509 0.755510 Te\n0.501502 0.761981 0.755510 Te\n0.674936 0.335389 0.073294 Te\n0.174936 0.591316 0.073294 Te\n0.505794 0.238646 0.754051 Se\n0.005794 0.007304 0.754051 Se\n0.172529 0.080808 0.083695 Se\n0.672529 0.835497 0.083695 Se\n",
"nsites": 24,
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"formula_full": "Ga6 Cu6 Te8 Se4",
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"spacegroup": 9
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{
"id": "mp-866894",
"created_at": "2022-09-04T14:43:10.205822Z",
"structure_string": "Ca1 Sn1 S3\n1.0\n3.629051 -4.399845 0.000000\n3.629051 4.399845 0.000000\n0.000000 0.000000 4.120080\nCa Sn S\n1 1 3\ndirect\n0.743874 0.256126 0.000000 Ca\n0.108255 0.891745 0.500000 Sn\n0.536207 0.463793 0.500000 S\n0.557308 0.925645 0.500000 S\n0.074355 0.442692 0.500000 S\n",
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{
"id": "mp-1208314",
"created_at": "2022-09-04T14:45:58.965855Z",
"structure_string": "Th4 Cl8\n1.0\n-4.112702 4.112702 4.667319\n4.112702 -4.112702 4.667319\n4.112702 4.112702 -4.667319\nTh Cl\n4 8\ndirect\n0.375000 0.125000 0.250000 Th\n0.875000 0.125000 0.750000 Th\n0.875000 0.125000 0.250000 Th\n0.875000 0.625000 0.750000 Th\n0.185334 0.417916 0.232582 Cl\n0.185334 0.952753 0.767418 Cl\n0.167916 0.435334 0.732582 Cl\n0.564666 0.832084 0.267418 Cl\n0.702753 0.435334 0.267418 Cl\n0.564666 0.297247 0.732582 Cl\n0.582084 0.814666 0.767418 Cl\n0.047247 0.814666 0.232582 Cl\n",
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{
"id": "mp-579518",
"created_at": "2022-09-04T14:48:28.570100Z",
"structure_string": "Dy5 Sn11\n1.0\n-2.194457 2.235459 21.458008\n2.194457 -2.235459 21.458008\n2.194457 2.235459 -21.458008\nDy Sn\n5 11\ndirect\n0.307584 0.807584 0.500000 Dy\n0.616952 0.616952 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.692416 0.192416 0.500000 Dy\n0.383048 0.383048 0.000000 Dy\n0.939965 0.439965 0.500000 Sn\n0.131448 0.131448 0.000000 Sn\n0.249608 0.249608 0.000000 Sn\n0.060035 0.560035 0.500000 Sn\n0.820154 0.320154 0.500000 Sn\n0.750392 0.750392 0.000000 Sn\n0.559234 0.059234 0.500000 Sn\n0.440766 0.940766 0.500000 Sn\n0.868552 0.868552 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.179846 0.679846 0.500000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"Sn"
],
"chemical_system": "Dy-Sn",
"density": 8.354018551429725,
"density_atomic": 0.037999405673954684,
"volume": 421.0592170120866,
"volume_molar": 15.847986707138574,
"formula_full": "Dy5 Sn11",
"formula_reduced": "Dy5Sn11",
"formula_anonymous": "A5B11",
"energy": -76.28725417,
"energy_per_atom": -4.767953385625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.28725417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:16.102000Z",
"spacegroup": 71
}
]
}