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{
"id": "jvasp-55237",
"created_at": "2022-09-04T14:38:12.014089Z",
"updated_at": "2022-09-04T14:38:12.014105Z",
"structure_string": "Lu8 Zn4 S16\n1.0\n6.256414 0.000000 0.000000\n0.000000 7.678383 0.000000\n0.000000 0.000000 13.216376\nLu Zn S\n8 4 16\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.002880 0.750000 0.265273 Lu\n0.502880 0.250000 0.234727 Lu\n0.997119 0.250000 0.734727 Lu\n0.497119 0.750000 0.765273 Lu\n0.912789 0.750000 0.592131 Zn\n0.412790 0.250000 0.907870 Zn\n0.087210 0.250000 0.407870 Zn\n0.587210 0.750000 0.092130 Zn\n0.721429 0.250000 0.409943 S\n0.221429 0.750000 0.090057 S\n0.753370 0.750000 0.427487 S\n0.253370 0.250000 0.072513 S\n0.246630 0.250000 0.572513 S\n0.746629 0.750000 0.927488 S\n0.759651 0.991704 0.168883 S\n0.759651 0.508296 0.168883 S\n0.240349 0.491704 0.831117 S\n0.740348 0.508296 0.668883 S\n0.240349 0.008296 0.831117 S\n0.740348 0.991704 0.668883 S\n0.778571 0.250000 0.909943 S\n0.259651 0.491704 0.331117 S\n0.259651 0.008296 0.331117 S\n0.278571 0.750000 0.590057 S\n",
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{
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"structure_string": "Li1 Al2 Os1\n1.0\n-0.000000 3.026691 3.026691\n3.026691 -0.000000 3.026691\n3.026691 3.026691 0.000000\nLi Al Os\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Os\n",
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{
"id": "jvasp-48761",
"created_at": "2022-09-04T14:38:12.009415Z",
"updated_at": "2022-09-04T14:38:12.009428Z",
"structure_string": "Fe2 O1 F3\n1.0\n4.782012 0.119033 0.000000\n0.119033 4.782012 0.000000\n0.000000 0.000000 3.108071\nFe O F\n2 1 3\ndirect\n0.023021 0.976978 0.000000 Fe\n0.484274 0.515725 0.500000 Fe\n0.194838 0.805161 0.500000 O\n0.301933 0.298552 0.000000 F\n0.701447 0.698066 0.000000 F\n0.794486 0.205512 0.500000 F\n",
"nsites": 6,
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"density_atomic": 0.08447110386041483,
"volume": 71.03020708613876,
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"formula_full": "Fe2 O1 F3",
"formula_reduced": "Fe2OF3",
"formula_anonymous": "AB2C3",
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"spacegroup": 38
},
{
"id": "jvasp-64384",
"created_at": "2022-09-04T14:38:12.005778Z",
"updated_at": "2022-09-04T14:38:12.005803Z",
"structure_string": "Ba4 Mn1 Cl1\n1.0\n0.000000 5.011865 5.011865\n5.011865 -0.000000 5.011865\n5.011865 5.011865 -0.000000\nBa Mn Cl\n4 1 1\ndirect\n0.123466 0.625511 0.625511 Ba\n0.625511 0.625511 0.625511 Ba\n0.625511 0.123466 0.625511 Ba\n0.625511 0.625511 0.123466 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
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],
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"volume": 251.7839766874173,
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"formula_full": "Ba4 Mn1 Cl1",
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{
"id": "jvasp-20606",
"created_at": "2022-09-04T14:38:12.003789Z",
"updated_at": "2022-09-04T14:38:12.003817Z",
"structure_string": "Dy1 Ag1\n1.0\n3.605590 0.000000 -0.000000\n-0.000000 3.605590 0.000000\n-0.000000 -0.000000 3.605590\nDy Ag\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Ag\n",
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{
"id": "jvasp-18091",
"created_at": "2022-09-04T14:38:12.001454Z",
"updated_at": "2022-09-04T14:38:12.001474Z",
"structure_string": "Yb1 Pb3\n1.0\n4.878166 0.000000 0.000000\n-0.000000 4.878166 0.000000\n0.000000 -0.000000 4.878166\nYb Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n",
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{
"id": "jvasp-44361",
"created_at": "2022-09-04T14:38:11.999565Z",
"updated_at": "2022-09-04T14:38:11.999588Z",
"structure_string": "Li1 V4 Cu1 O12\n1.0\n6.623911 -0.061101 -0.084558\n-0.766136 6.579740 0.084558\n-1.456978 1.309268 5.515293\nLi V Cu O\n1 4 1 12\ndirect\n0.087181 0.087181 0.750000 Li\n0.196164 0.616481 0.749968 V\n0.388763 0.792291 0.263573 V\n0.616480 0.196165 0.750031 V\n0.792290 0.388764 0.236427 V\n0.918579 0.918580 0.250000 Cu\n0.813203 0.027352 0.888354 O\n0.627016 0.333418 0.443187 O\n0.629470 0.916891 0.280640 O\n0.643851 0.375556 0.940683 O\n0.333418 0.627017 0.056813 O\n0.205367 0.973211 0.177037 O\n0.375555 0.643852 0.559316 O\n0.916890 0.629471 0.219360 O\n0.069336 0.385865 0.752067 O\n0.027351 0.813204 0.611645 O\n0.385865 0.069337 0.747932 O\n0.973211 0.205368 0.322962 O\n",
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"O"
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"density_atomic": 0.07541901190536167,
"volume": 238.66661131263572,
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"formula_full": "Li1 V4 Cu1 O12",
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"formula_anonymous": "ABC4D12",
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"spacegroup": 5
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{
"id": "jvasp-10051",
"created_at": "2022-09-04T14:38:11.993013Z",
"updated_at": "2022-09-04T14:38:11.993024Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.960968 -0.008541 -0.037031\n2.973087 5.166621 -0.037031\n2.947782 1.701904 4.813709\nMg Mn O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.991373 0.991372 0.008628 Mn\n0.258628 0.258627 0.241373 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.624999 0.625000 Mn\n0.397874 0.397873 0.366507 O\n0.399973 0.844055 0.377986 O\n0.397874 0.397873 0.837747 O\n0.844056 0.399972 0.377986 O\n0.405945 0.850027 0.872014 O\n0.850028 0.405944 0.872014 O\n0.852127 0.852126 0.412254 O\n0.852127 0.852126 0.883494 O\n",
"nsites": 14,
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"Mn",
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],
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"density": 4.4134252942526695,
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"volume": 149.12836854456594,
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"formula_full": "Mg2 Mn4 O8",
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{
"id": "jvasp-17892",
"created_at": "2022-09-04T14:38:11.991138Z",
"updated_at": "2022-09-04T14:38:11.991166Z",
"structure_string": "Np1 Sb1\n1.0\n3.805752 0.000000 2.197252\n1.268584 3.588098 2.197252\n-0.000000 -0.000000 4.394504\nNp Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.499999 0.500000 0.499999 Sb\n",
"nsites": 2,
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{
"id": "jvasp-86029",
"created_at": "2022-09-04T14:38:11.988557Z",
"updated_at": "2022-09-04T14:38:11.988580Z",
"structure_string": "Na2 Ca2 V2 O8\n1.0\n5.528233 0.017025 -0.000000\n-2.348746 5.004502 0.000000\n-0.000000 0.000000 7.130291\nNa Ca V O\n2 2 2 8\ndirect\n0.499999 0.499999 0.000000 Na\n0.499999 0.499999 0.500000 Na\n0.819206 0.180792 0.250000 Ca\n0.180792 0.819207 0.750000 Ca\n0.144891 0.855108 0.250000 V\n0.855107 0.144891 0.750000 V\n0.258839 0.199850 0.250000 O\n0.252518 0.747481 0.053675 O\n0.800149 0.741160 0.250000 O\n0.747480 0.252518 0.553675 O\n0.199849 0.258839 0.750000 O\n0.252518 0.747481 0.446325 O\n0.747480 0.252518 0.946325 O\n0.741159 0.800149 0.750000 O\n",
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{
"id": "jvasp-31972",
"created_at": "2022-09-04T14:38:11.986190Z",
"updated_at": "2022-09-04T14:38:11.986211Z",
"structure_string": "Te2 W2 Cl18\n1.0\n6.286796 -0.023820 1.789408\n-0.530034 9.048592 2.702767\n0.021768 0.095490 11.484408\nTe W Cl\n2 2 18\ndirect\n0.129508 0.663999 0.164493 Te\n0.870493 0.336001 0.835508 Te\n0.568893 0.261825 0.291246 W\n0.431108 0.738174 0.708754 W\n0.284899 0.954518 0.720979 Cl\n0.089889 0.606500 0.828244 Cl\n0.312073 0.877165 0.162952 Cl\n0.499413 0.694818 0.909445 Cl\n0.715103 0.045482 0.279021 Cl\n0.108914 0.199068 0.937080 Cl\n0.687928 0.122835 0.837049 Cl\n0.891087 0.800932 0.062920 Cl\n0.500589 0.305182 0.090555 Cl\n0.348560 0.752629 0.525245 Cl\n0.907799 0.634618 0.369142 Cl\n0.092203 0.365382 0.630858 Cl\n0.234582 0.150394 0.391644 Cl\n0.651442 0.247371 0.474755 Cl\n0.569214 0.499136 0.703771 Cl\n0.910112 0.393500 0.171756 Cl\n0.430788 0.500863 0.296229 Cl\n0.765420 0.849606 0.608357 Cl\n",
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{
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"structure_string": "Er1 H2\n1.0\n3.131920 -0.000000 1.808215\n1.043974 2.952803 1.808215\n0.000000 0.000000 3.616430\nEr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.749999 0.749999 0.749999 H\n0.250000 0.250000 0.250000 H\n",
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}