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{
"id": "mp-9740",
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"structure_string": "Ba2 Dy4 Pd2 O10\n1.0\n6.581437 0.000000 0.000000\n0.000000 6.581437 0.000000\n0.000000 0.000000 5.923854\nBa Dy Pd O\n2 4 2 10\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.825848 0.674152 0.500000 Dy\n0.674152 0.174152 0.500000 Dy\n0.325848 0.825848 0.500000 Dy\n0.174152 0.325848 0.500000 Dy\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.140545 0.640545 0.260304 O\n0.859455 0.359455 0.260304 O\n0.359455 0.140545 0.260304 O\n0.640545 0.859455 0.260304 O\n0.140545 0.640545 0.739696 O\n0.640545 0.859455 0.739696 O\n0.859455 0.359455 0.739696 O\n0.359455 0.140545 0.739696 O\n",
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{
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"formula_full": "H24 C4 S4 N8 O4",
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{
"id": "mp-1079214",
"created_at": "2022-09-04T14:46:57.613239Z",
"structure_string": "Gd2 Sn2 Pt4\n1.0\n2.288698 -3.964142 0.000000\n2.288698 3.964142 0.000000\n0.000000 0.000000 9.232647\nGd Sn Pt\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.910086 Pt\n0.666667 0.333333 0.089914 Pt\n0.666667 0.333333 0.410086 Pt\n0.333333 0.666667 0.589914 Pt\n",
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"spacegroup": 194
},
{
"id": "mp-1248269",
"created_at": "2022-09-04T14:46:57.639789Z",
"structure_string": "Al2 Co4 O8\n1.0\n4.744037 -0.115274 -2.248846\n-1.443663 4.388220 -2.213076\n0.177028 0.384085 6.090107\nAl Co O\n2 4 8\ndirect\n0.918811 0.174905 0.845144 Al\n0.081189 0.825095 0.154856 Al\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.732579 0.482113 0.833416 O\n0.093501 0.854016 0.829545 O\n0.267421 0.517887 0.166584 O\n0.906499 0.145984 0.170455 O\n0.452910 0.097980 0.307296 O\n0.868367 0.704230 0.308555 O\n0.131633 0.295770 0.691445 O\n0.547090 0.902020 0.692704 O\n",
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"spacegroup": 2
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{
"id": "mp-1185649",
"created_at": "2022-09-04T14:46:57.135941Z",
"structure_string": "Mg16 Al12 Br1\n1.0\n7.288313 5.334828 0.000000\n-7.288313 5.334828 0.000000\n0.000000 4.861611 7.670741\nMg Al Br\n16 12 1\ndirect\n0.998417 0.998417 0.342558 Mg\n0.334856 0.334856 0.679948 Mg\n0.310874 0.310874 0.292658 Mg\n0.002271 0.002271 0.997283 Mg\n0.394796 0.668988 0.006628 Mg\n0.293708 0.598580 0.399877 Mg\n0.692006 0.005952 0.592836 Mg\n0.652180 0.006053 0.987714 Mg\n0.323398 0.714958 0.677396 Mg\n0.997564 0.403405 0.318989 Mg\n0.403405 0.997564 0.318989 Mg\n0.714958 0.323398 0.677396 Mg\n0.006053 0.652180 0.987714 Mg\n0.005952 0.692006 0.592836 Mg\n0.598580 0.293708 0.399877 Mg\n0.668988 0.394796 0.006628 Mg\n0.638868 0.638868 0.159055 Al\n0.841187 0.841187 0.810843 Al\n0.157488 0.346229 0.023509 Al\n0.641103 0.831317 0.344152 Al\n0.007672 0.195557 0.631546 Al\n0.807795 0.181491 0.185379 Al\n0.995591 0.376779 0.816137 Al\n0.376779 0.995591 0.816137 Al\n0.181491 0.807795 0.185379 Al\n0.195557 0.007672 0.631546 Al\n0.831317 0.641103 0.344152 Al\n0.346229 0.157488 0.023509 Al\n0.580919 0.580919 0.749330 Br\n",
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"formula_full": "Mg16 Al12 Br1",
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{
"id": "mp-1194108",
"created_at": "2022-09-04T14:46:57.159547Z",
"structure_string": "Zr16 Rh8 N4\n1.0\n0.000000 6.237451 6.237451\n6.237451 0.000000 6.237451\n6.237451 6.237451 0.000000\nZr Rh N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.817421 0.817421 0.182579 Zr\n0.182579 0.182579 0.817421 Zr\n0.817421 0.182579 0.817421 Zr\n0.182579 0.817421 0.182579 Zr\n0.182579 0.817421 0.817421 Zr\n0.817421 0.182579 0.182579 Zr\n0.432579 0.432579 0.067421 Zr\n0.067421 0.067421 0.432579 Zr\n0.432579 0.067421 0.432579 Zr\n0.067421 0.432579 0.067421 Zr\n0.067421 0.432579 0.432579 Zr\n0.432579 0.067421 0.067421 Zr\n0.773350 0.408883 0.408883 Rh\n0.408883 0.773350 0.408883 Rh\n0.408883 0.408883 0.773350 Rh\n0.408883 0.408883 0.408883 Rh\n0.476650 0.841117 0.841117 Rh\n0.841117 0.476650 0.841117 Rh\n0.841117 0.841117 0.476650 Rh\n0.841117 0.841117 0.841117 Rh\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
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{
"id": "mp-1224601",
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"structure_string": "H12 I6 N2 O18\n1.0\n-0.014259 0.018005 -8.419062\n7.378542 0.035918 -4.102626\n-1.320762 -7.635951 -3.531328\nH I N O\n12 6 2 18\ndirect\n0.053661 0.787762 0.101111 H\n0.947219 0.210865 0.897750 H\n0.100764 0.706598 0.271008 H\n0.899299 0.293925 0.728453 H\n0.876764 0.892598 0.313508 H\n0.124220 0.107134 0.684873 H\n0.228945 0.135791 0.019654 H\n0.772105 0.864749 0.977365 H\n0.927947 0.685399 0.235297 H\n0.071451 0.313759 0.765885 H\n0.487908 0.474840 0.019706 H\n0.989252 0.532903 0.520480 H\n0.946689 0.313480 0.312203 I\n0.066984 0.693820 0.691190 I\n0.409141 0.802908 0.303026 I\n0.591279 0.191513 0.693959 I\n0.526157 0.256373 0.234981 I\n0.472230 0.739401 0.778591 I\n0.989324 0.768423 0.228725 N\n0.011025 0.230973 0.770488 N\n0.217728 0.766966 0.857880 O\n0.774745 0.233705 0.141184 O\n0.409325 0.972441 0.843166 O\n0.584103 0.031166 0.155923 O\n0.530910 0.631810 0.957070 O\n0.456474 0.368875 0.050587 O\n0.130428 0.271078 0.070296 O\n0.872568 0.730295 0.926042 O\n0.665905 0.368763 0.638079 O\n0.332073 0.625140 0.365821 O\n0.785624 0.554087 0.311453 O\n0.216862 0.450552 0.686284 O\n0.345687 0.897583 0.521468 O\n0.651851 0.101352 0.473704 O\n0.912344 0.665223 0.590905 O\n0.089278 0.345963 0.410412 O\n0.186010 0.970170 0.275825 O\n0.815517 0.022516 0.720251 O\n",
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{
"id": "mp-561122",
"created_at": "2022-09-04T14:46:57.174873Z",
"structure_string": "Gd4 Sn2 S10\n1.0\n3.858947 0.000000 0.000000\n0.000000 7.798029 0.000000\n0.000000 0.000000 11.379851\nGd Sn S\n4 2 10\ndirect\n0.500000 0.536117 0.827430 Gd\n0.500000 0.963883 0.327430 Gd\n0.500000 0.463883 0.172570 Gd\n0.500000 0.036117 0.672570 Gd\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.828573 0.803505 S\n0.000000 0.000000 0.500000 S\n0.000000 0.171427 0.196495 S\n0.000000 0.328573 0.696495 S\n0.500000 0.826258 0.093203 S\n0.500000 0.326258 0.406797 S\n0.000000 0.671427 0.303505 S\n0.500000 0.173742 0.906797 S\n0.000000 0.500000 0.000000 S\n0.500000 0.673742 0.593203 S\n",
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{
"id": "mp-1317444",
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"structure_string": "Li6 Mn4 Sn2 O12\n1.0\n-3.493624 -4.252153 -2.598143\n6.273907 -1.471650 -2.687811\n0.010398 -3.222291 5.250622\nLi Mn Sn O\n6 4 2 12\ndirect\n0.833241 0.332992 0.833210 Li\n0.833044 0.332865 0.333068 Li\n0.521154 0.997800 0.999552 Li\n0.508471 0.001368 0.497423 Li\n0.158399 0.665534 0.169428 Li\n0.146319 0.669318 0.668233 Li\n0.988456 0.988952 0.002574 Mn\n0.678281 0.677366 0.663529 Mn\n0.985490 0.996180 0.500405 Mn\n0.681301 0.670393 0.166075 Mn\n0.333198 0.333370 0.833352 Sn\n0.333117 0.333434 0.333411 Sn\n0.231322 0.016511 0.734312 O\n0.232921 0.022611 0.280653 O\n0.435281 0.650254 0.932259 O\n0.433681 0.644266 0.385991 O\n0.903575 0.663618 0.934737 O\n0.905872 0.663015 0.393137 O\n0.760948 0.003819 0.273430 O\n0.763135 0.002937 0.731693 O\n0.563304 0.309046 0.076264 O\n0.569099 0.334630 0.584585 O\n0.097244 0.331951 0.082103 O\n0.103146 0.357773 0.590579 O\n",
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{
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"structure_string": "Ca2 Mn4 O8\n1.0\n-1.447098 5.037106 -2.749699\n0.146616 0.194581 6.642012\n5.240851 -0.002628 -2.749710\nCa Mn O\n2 4 8\ndirect\n0.625011 0.749994 0.374996 Ca\n0.375005 0.249994 0.624997 Ca\n0.999959 0.499904 0.499988 Mn\n0.000084 0.000112 0.000035 Mn\n0.999899 0.500088 0.000061 Mn\n0.499973 0.999950 0.999957 Mn\n0.798597 0.529927 0.765296 O\n0.235353 0.970063 0.768675 O\n0.234710 0.970062 0.201408 O\n0.201423 0.470065 0.234697 O\n0.768691 0.470067 0.235339 O\n0.764659 0.029924 0.231317 O\n0.231330 0.529924 0.764649 O\n0.765304 0.029925 0.798585 O\n",
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"elements": [
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"Mn",
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],
"chemical_system": "Ca-Mn-O",
"density": 3.9273094401909763,
"density_atomic": 0.07737993182272153,
"volume": 180.9254631042347,
"volume_molar": 7.7825614705849135,
"formula_full": "Ca2 Mn4 O8",
"formula_reduced": "CaMn2O4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:37:51.459000Z",
"spacegroup": 141
},
{
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"formula_full": "Na1 N3",
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"updated_at": "2021-11-28T01:37:52.350000Z",
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},
{
"id": "mp-752484",
"created_at": "2022-09-04T14:46:57.337371Z",
"structure_string": "Yb2 B8 O14\n1.0\n4.215144 0.000000 0.000000\n0.000000 4.379931 0.000000\n0.000000 0.000000 10.634263\nYb B O\n2 8 14\ndirect\n0.467941 0.805944 0.500000 Yb\n0.967941 0.194056 0.000000 Yb\n0.001692 0.822309 0.751212 B\n0.001692 0.822309 0.248788 B\n0.478626 0.673921 0.879748 B\n0.478626 0.673921 0.120252 B\n0.501692 0.177691 0.748788 B\n0.501692 0.177691 0.251212 B\n0.978626 0.326079 0.620252 B\n0.978626 0.326079 0.379748 B\n0.055643 0.648311 0.637859 O\n0.055643 0.648311 0.362141 O\n0.093706 0.217558 0.500000 O\n0.137691 0.726759 0.867963 O\n0.137691 0.726759 0.132037 O\n0.142815 0.137013 0.724629 O\n0.142815 0.137013 0.275371 O\n0.555643 0.351689 0.862141 O\n0.555643 0.351689 0.137859 O\n0.593706 0.782442 0.000000 O\n0.637691 0.273241 0.632037 O\n0.637691 0.273241 0.367963 O\n0.642815 0.862987 0.775371 O\n0.642815 0.862987 0.224629 O\n",
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],
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"density": 5.553108663359154,
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"volume": 196.3301875479177,
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"total_magnetization": 8e-06,
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"updated_at": "2021-11-28T01:37:47.880000Z",
"spacegroup": 31
}
]
}