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{
"id": "jvasp-86519",
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"updated_at": "2022-09-04T14:36:06.397535Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769467 -0.000000 0.000000\n0.000000 5.769467 0.000000\n0.000000 0.000000 8.303880\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757861 Na\n0.750000 0.750000 0.242139 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255829 Nb\n0.750000 0.750000 0.744171 Nb\n0.981988 0.518013 0.671540 O\n0.518013 0.981988 0.671540 O\n0.250000 0.250000 0.030520 O\n0.481988 0.481988 0.328460 O\n0.981988 0.981988 0.671540 O\n0.750000 0.750000 0.969480 O\n0.518013 0.518013 0.671540 O\n0.018012 0.018012 0.328460 O\n0.481988 0.018012 0.328460 O\n0.018012 0.481988 0.328460 O\n",
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{
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"structure_string": "Ag4 O4\n1.0\n4.562951 0.000000 0.000000\n0.000000 5.531451 -0.751799\n0.000000 0.620873 4.598876\nAg O\n4 4\ndirect\n0.500000 -0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.249736 0.750002 0.249969 O\n0.749736 0.749997 0.750031 O\n0.750264 0.249997 0.750031 O\n0.250264 0.250002 0.249969 O\n",
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{
"id": "jvasp-93797",
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"updated_at": "2022-09-04T14:36:06.394137Z",
"structure_string": "Cd2 Cl2 O2\n1.0\n-1.883666 -3.262557 0.000000\n-1.883666 3.262557 0.000000\n0.000000 0.000000 -9.336320\nCd Cl O\n2 2 2\ndirect\n0.333400 0.666602 0.479043 Cd\n0.666602 0.333400 0.979043 Cd\n0.333284 0.666718 0.165043 Cl\n0.666718 0.333284 0.665043 Cl\n0.000054 -0.000054 0.418913 O\n-0.000054 0.000054 0.918913 O\n",
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"volume": 114.75397314498262,
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"formula_full": "Cd2 Cl2 O2",
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"spacegroup": 186
},
{
"id": "jvasp-91927",
"created_at": "2022-09-04T14:36:06.390379Z",
"updated_at": "2022-09-04T14:36:06.390404Z",
"structure_string": "Ga2 Fe6\n1.0\n0.000000 -0.000000 -4.167638\n-2.580272 -4.469433 0.000000\n-2.580272 4.469433 -0.000000\nGa Fe\n2 6\ndirect\n0.750000 0.666673 0.333327 Ga\n0.250000 0.333327 0.666673 Ga\n0.750000 0.159838 0.319633 Fe\n0.750000 0.159837 0.840163 Fe\n0.750000 0.680366 0.840162 Fe\n0.250000 0.840162 0.680366 Fe\n0.250000 0.840163 0.159837 Fe\n0.250000 0.319633 0.159838 Fe\n",
"nsites": 8,
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"elements": [
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"volume": 96.12534373222289,
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"formula_full": "Ga2 Fe6",
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{
"id": "jvasp-70570",
"created_at": "2022-09-04T14:36:06.389838Z",
"updated_at": "2022-09-04T14:36:06.389876Z",
"structure_string": "Sr1 Mn1 Be2\n1.0\n3.033255 0.000000 -0.000000\n0.000000 3.033255 0.000000\n0.000000 -0.000000 6.751543\nSr Mn Be\n1 1 2\ndirect\n0.499999 0.499999 0.500000 Sr\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.846210 Be\n0.000000 0.000000 0.153789 Be\n",
"nsites": 4,
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{
"id": "jvasp-60933",
"created_at": "2022-09-04T14:36:06.381966Z",
"updated_at": "2022-09-04T14:36:06.381981Z",
"structure_string": "Er1 Ni4 Au1\n1.0\n0.000000 3.470232 3.470232\n3.470232 -0.000000 3.470232\n3.470232 3.470232 0.000000\nEr Ni Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.624529 0.126414 0.624529 Ni\n0.624529 0.624529 0.126414 Ni\n0.126414 0.624529 0.624529 Ni\n0.624529 0.624529 0.624529 Ni\n0.250000 0.250000 0.250000 Au\n",
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{
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"created_at": "2022-09-04T14:36:06.380757Z",
"updated_at": "2022-09-04T14:36:06.380783Z",
"structure_string": "Al12 N4 O12\n1.0\n5.661168 -0.000000 0.000000\n-0.000000 5.710546 0.000000\n0.000000 0.000000 8.065156\nAl N O\n12 4 12\ndirect\n0.750000 0.992543 0.117644 Al\n0.250000 0.507458 0.617644 Al\n0.750000 0.250036 0.742925 Al\n0.250000 0.007458 0.882357 Al\n0.500000 0.000000 0.500000 Al\n0.750000 0.750036 0.757075 Al\n0.250000 0.749965 0.257075 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.750000 0.492542 0.382356 Al\n0.250000 0.249964 0.242925 Al\n0.000000 0.000000 0.500000 Al\n0.250000 0.773509 0.491480 N\n0.250000 0.273508 0.008520 N\n0.750000 0.726492 0.991481 N\n0.750000 0.226492 0.508520 N\n0.513378 0.998140 0.746149 O\n0.750000 0.759291 0.512558 O\n0.250000 0.740710 0.012557 O\n0.513378 0.498139 0.753851 O\n0.486623 0.501861 0.246149 O\n0.013377 0.501861 0.246149 O\n0.750000 0.259291 0.987443 O\n0.250000 0.240709 0.487443 O\n0.013377 0.001861 0.253851 O\n0.486623 0.001861 0.253851 O\n0.986623 0.998140 0.746149 O\n0.986623 0.498139 0.753851 O\n",
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"volume": 260.73326886407966,
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"formula_full": "Al12 N4 O12",
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"spacegroup": 62
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{
"id": "jvasp-54797",
"created_at": "2022-09-04T14:36:06.379309Z",
"updated_at": "2022-09-04T14:36:06.379334Z",
"structure_string": "Cr1 Co1 Pt2\n1.0\n3.840416 0.000000 0.000000\n0.000000 3.840416 -0.000000\n0.000000 0.000000 3.749202\nCr Co Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500001 0.000000 Co\n0.500001 0.000000 0.500000 Pt\n0.000000 0.500001 0.500000 Pt\n",
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"volume": 55.29621191050765,
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{
"id": "jvasp-74193",
"created_at": "2022-09-04T14:36:06.373408Z",
"updated_at": "2022-09-04T14:36:06.373441Z",
"structure_string": "Na1 Ca2 Be1\n1.0\n-2.340402 2.340402 5.167709\n2.340402 -2.340402 5.167709\n2.340402 2.340402 -5.167709\nNa Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Be\n",
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{
"id": "jvasp-62285",
"created_at": "2022-09-04T14:36:06.368742Z",
"updated_at": "2022-09-04T14:36:06.368759Z",
"structure_string": "Na1 H12 Au1 C4 S4 O12\n1.0\n5.363119 -0.071134 0.058998\n1.760948 8.519566 0.002232\n2.515995 2.437089 8.873260\nNa H Au C S O\n1 12 1 4 4 12\ndirect\n0.000001 0.500000 0.500000 Na\n0.698780 0.834876 0.097340 H\n0.301221 0.165125 0.902660 H\n0.781741 0.948381 0.205302 H\n0.218260 0.051620 0.794698 H\n0.480155 0.009412 0.140539 H\n0.519846 0.990589 0.859461 H\n0.335366 0.518567 0.854427 H\n0.664635 0.481434 0.145573 H\n0.349299 0.708922 0.887315 H\n0.650702 0.291079 0.112685 H\n0.444530 0.687470 0.696287 H\n0.555471 0.312531 0.303713 H\n0.000000 0.000000 0.500000 Au\n0.685498 0.349032 0.191964 C\n0.314503 0.650969 0.808036 C\n0.622073 0.907292 0.179450 C\n0.377928 0.092709 0.820550 C\n0.989251 0.711122 0.789986 S\n0.010750 0.288879 0.210014 S\n0.459718 0.777805 0.347781 S\n0.540283 0.222196 0.652219 S\n0.650492 0.652805 0.408102 O\n0.061341 0.360596 0.316244 O\n0.938660 0.639405 0.683756 O\n0.182593 0.315707 0.061366 O\n0.817408 0.684294 0.938634 O\n0.366563 0.885478 0.460977 O\n0.239401 0.726319 0.321112 O\n0.633438 0.114523 0.539023 O\n0.029208 0.099538 0.275828 O\n0.970793 0.900463 0.724172 O\n0.760600 0.273682 0.678888 O\n0.349509 0.347196 0.591898 O\n",
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"structure_string": "Ba4 Cd1 Pt1\n1.0\n-0.000000 4.854806 4.854806\n4.854806 0.000000 4.854806\n4.854806 4.854806 -0.000000\nBa Cd Pt\n4 1 1\ndirect\n0.121910 0.626031 0.626031 Ba\n0.626031 0.626031 0.626031 Ba\n0.626031 0.121910 0.626031 Ba\n0.626031 0.626031 0.121910 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:36:06.363956Z",
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"structure_string": "Ba1 Be2 Br1\n1.0\n4.268271 0.000000 -0.000000\n0.000000 4.268271 0.000000\n-0.000000 0.000000 6.336445\nBa Be Br\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.832572 Be\n0.000000 0.000000 0.167428 Be\n0.500000 0.500000 0.000000 Br\n",
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}
]
}