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{
"id": "mp-1218758",
"created_at": "2022-09-04T14:43:10.598761Z",
"structure_string": "Sr4 La2 Ga2 O10\n1.0\n-6.878752 0.024386 0.000000\n-0.024386 6.878752 0.000000\n-3.451569 3.451569 -5.727368\nSr La Ga O\n4 2 2 10\ndirect\n0.250000 0.250000 0.500000 Sr\n0.750000 0.750000 0.500000 Sr\n0.824154 0.675846 0.000000 Sr\n0.175846 0.324154 0.000000 Sr\n0.680819 0.180819 0.000000 La\n0.319181 0.819181 0.000000 La\n0.751747 0.251747 0.496506 Ga\n0.248253 0.748253 0.503494 Ga\n0.213860 0.998406 0.287734 O\n0.498406 0.713860 0.287734 O\n0.002877 0.502877 0.290345 O\n0.706778 0.206778 0.290345 O\n0.786140 0.001594 0.712266 O\n0.501594 0.286140 0.712266 O\n0.997123 0.497123 0.709655 O\n0.293222 0.793222 0.709655 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1516964",
"created_at": "2022-09-04T14:43:05.241207Z",
"structure_string": "Ba8 Tb4 Nb4 O24\n1.0\n8.565503 0.000000 0.000000\n0.000000 8.565503 0.000000\n0.000000 -0.000000 8.565503\nBa Tb Nb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.250000 0.750000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.750000 0.750000 Nb\n0.750000 0.250000 0.250000 Nb\n0.250000 0.750000 0.250000 Nb\n0.250000 0.250000 0.750000 Nb\n0.233045 0.268453 0.514424 O\n0.233045 0.731547 0.485576 O\n0.766955 0.268453 0.485576 O\n0.766955 0.731547 0.514424 O\n0.268453 0.514424 0.233045 O\n0.731547 0.485576 0.233045 O\n0.268453 0.485576 0.766955 O\n0.731547 0.514424 0.766955 O\n0.514424 0.233045 0.268453 O\n0.485576 0.233045 0.731547 O\n0.485576 0.766955 0.268453 O\n0.514424 0.766955 0.731547 O\n0.266955 0.231547 0.985576 O\n0.266955 0.768453 0.014424 O\n0.733045 0.231547 0.014424 O\n0.733045 0.768453 0.985576 O\n0.231547 0.985576 0.266955 O\n0.768453 0.014424 0.266955 O\n0.231547 0.014424 0.733045 O\n0.768453 0.985576 0.733045 O\n0.985576 0.266955 0.231547 O\n0.014424 0.266955 0.768453 O\n0.014424 0.733045 0.231547 O\n0.985576 0.733045 0.768453 O\n",
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"elements": [
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"formula_full": "Ba8 Tb4 Nb4 O24",
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"energy": -330.83618892,
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"spacegroup": 201
},
{
"id": "mp-563048",
"created_at": "2022-09-04T14:43:06.065799Z",
"structure_string": "K1 Fe3 H6 S2 O14\n1.0\n7.726118 -0.231267 3.768055\n2.257452 7.392584 3.768055\n-0.322408 -0.231267 8.589947\nK Fe H S O\n1 3 6 2 14\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.495884 0.046512 0.495884 H\n0.504116 0.953488 0.504116 H\n0.495884 0.495884 0.046512 H\n0.046512 0.495884 0.495884 H\n0.953488 0.504116 0.504116 H\n0.504116 0.504116 0.953488 H\n0.263102 0.263102 0.263102 S\n0.736898 0.736898 0.736898 S\n0.849164 0.849164 0.585202 O\n0.414798 0.150836 0.150836 O\n0.585202 0.849164 0.849164 O\n0.665185 0.665185 0.665185 O\n0.013272 0.302511 0.013272 O\n0.697489 0.986728 0.986728 O\n0.986728 0.697489 0.986728 O\n0.849164 0.585202 0.849164 O\n0.334815 0.334815 0.334815 O\n0.150836 0.414798 0.150836 O\n0.150836 0.150836 0.414798 O\n0.013272 0.013272 0.302511 O\n0.986728 0.986728 0.697489 O\n0.302511 0.013272 0.013272 O\n",
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"elements": [
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],
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"density": 1.633362234839775,
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"volume": 509.1351842134916,
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"formula_full": "K1 Fe3 H6 S2 O14",
"formula_reduced": "KFe3H6(SO7)2",
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"energy": -144.26756762,
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"updated_at": "2021-11-28T01:36:05.830000Z",
"spacegroup": 166
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{
"id": "mp-770287",
"created_at": "2022-09-04T14:43:13.204442Z",
"structure_string": "Li12 Sn4 B8 O24\n1.0\n6.455293 0.000000 0.000000\n0.000000 8.849043 0.000000\n0.000000 4.566213 9.015993\nLi Sn B O\n12 4 8 24\ndirect\n0.244091 0.394201 0.979286 Li\n0.937793 0.290908 0.168817 Li\n0.744091 0.605799 0.520714 Li\n0.721649 0.159279 0.044079 Li\n0.562207 0.290908 0.668817 Li\n0.221649 0.840721 0.455921 Li\n0.778351 0.159279 0.544079 Li\n0.437793 0.709092 0.331183 Li\n0.278351 0.840721 0.955921 Li\n0.255909 0.394201 0.479286 Li\n0.062207 0.709092 0.831183 Li\n0.755909 0.605799 0.020714 Li\n0.468301 0.190987 0.300096 Sn\n0.031699 0.190987 0.800096 Sn\n0.968301 0.809013 0.199904 Sn\n0.531699 0.809013 0.699904 Sn\n0.336499 0.539660 0.677552 B\n0.836499 0.460340 0.822448 B\n0.826979 0.947884 0.388231 B\n0.326979 0.052116 0.111769 B\n0.673021 0.947884 0.888231 B\n0.173021 0.052116 0.611769 B\n0.163501 0.539660 0.177552 B\n0.663501 0.460340 0.322448 B\n0.787019 0.617626 0.814151 O\n0.294338 0.587042 0.788675 O\n0.440529 0.658205 0.552550 O\n0.940529 0.341795 0.947450 O\n0.794338 0.412958 0.711325 O\n0.708406 0.990386 0.481939 O\n0.432409 0.204508 0.060862 O\n0.287019 0.382374 0.685849 O\n0.830271 0.058645 0.239444 O\n0.330271 0.941355 0.260556 O\n0.932409 0.795492 0.439138 O\n0.208406 0.009614 0.018061 O\n0.791594 0.990386 0.981939 O\n0.067591 0.204508 0.560862 O\n0.669729 0.058645 0.739444 O\n0.169729 0.941355 0.760556 O\n0.712981 0.617626 0.314151 O\n0.567591 0.795492 0.939138 O\n0.291594 0.009614 0.518061 O\n0.205662 0.587042 0.288675 O\n0.059471 0.658205 0.052550 O\n0.559471 0.341795 0.447450 O\n0.705662 0.412958 0.211325 O\n0.212981 0.382374 0.185849 O\n",
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"density": 3.316440050978033,
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"volume": 515.0220587945872,
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"formula_full": "Li12 Sn4 B8 O24",
"formula_reduced": "Li3Sn(BO3)2",
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"spacegroup": 14
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{
"id": "mp-15704",
"created_at": "2022-09-04T14:43:12.261766Z",
"structure_string": "Be2 Si2 N4\n1.0\n-2.036497 2.036497 4.082512\n2.036497 -2.036497 4.082512\n2.036497 2.036497 -4.082512\nBe Si N\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.129493 0.125000 0.504493 N\n0.620507 0.625000 0.495507 N\n0.875000 0.379493 0.004493 N\n0.375000 0.870507 0.995507 N\n",
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"density": 3.1928535219439826,
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"volume": 67.72593517773845,
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"formula_full": "Be2 Si2 N4",
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{
"id": "mp-1114108",
"created_at": "2022-09-04T14:43:05.253740Z",
"structure_string": "Rb3 Bi1 Br6\n1.0\n0.000000 6.122086 6.122086\n6.122086 0.000000 6.122086\n6.122086 6.122086 0.000000\nRb Bi Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.765814 0.234186 0.234186 Br\n0.234186 0.234186 0.765814 Br\n0.234186 0.765814 0.765814 Br\n0.234186 0.765814 0.234186 Br\n0.765814 0.234186 0.765814 Br\n0.765814 0.765814 0.234186 Br\n",
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"formula_full": "Rb3 Bi1 Br6",
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{
"id": "mp-1147725",
"created_at": "2022-09-04T14:43:03.279902Z",
"structure_string": "Li12 Zn3 P6 S24\n1.0\n6.377711 0.000000 0.000000\n0.026659 8.011836 0.000000\n0.022553 0.027468 18.418430\nLi Zn P S\n12 3 6 24\ndirect\n0.689367 0.242227 0.667632 Li\n0.690001 0.252863 0.338738 Li\n0.689925 0.248796 0.996598 Li\n0.302408 0.267416 0.500585 Li\n0.311075 0.255590 0.169122 Li\n0.692807 0.765366 0.997324 Li\n0.303710 0.743787 0.835973 Li\n0.302891 0.736684 0.502094 Li\n0.309186 0.740616 0.165401 Li\n0.856751 0.009566 0.506497 Li\n0.851891 0.009903 0.172256 Li\n0.143000 0.501620 0.007699 Li\n0.299832 0.247006 0.831499 Zn\n0.694871 0.748043 0.668187 Zn\n0.690184 0.746212 0.335067 Zn\n0.189638 0.991967 0.666734 P\n0.197046 0.994462 0.333427 P\n0.179995 0.008114 0.999577 P\n0.799425 0.499965 0.830509 P\n0.827524 0.503976 0.503314 P\n0.825624 0.498110 0.168629 P\n0.312735 0.214515 0.703283 S\n0.317334 0.209331 0.370465 S\n0.328122 0.218885 0.036315 S\n0.662547 0.279049 0.864050 S\n0.670166 0.291426 0.535197 S\n0.674161 0.289451 0.206829 S\n0.334150 0.777747 0.703550 S\n0.331202 0.774313 0.369894 S\n0.325882 0.791710 0.033631 S\n0.676800 0.714902 0.866954 S\n0.672402 0.721893 0.538559 S\n0.675727 0.717638 0.206311 S\n0.171239 0.004064 0.886927 S\n0.214575 0.001675 0.555283 S\n0.204580 0.994714 0.221727 S\n0.819981 0.498107 0.718475 S\n0.830265 0.507636 0.390303 S\n0.788437 0.507135 0.057046 S\n0.883205 0.987239 0.704204 S\n0.881268 0.989186 0.369636 S\n0.877617 0.007776 0.038636 S\n0.110478 0.487376 0.870862 S\n0.115285 0.502329 0.547508 S\n0.123350 0.499614 0.204316 S\n",
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"formula_full": "Li12 Zn3 P6 S24",
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}
]
}