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{
"id": "jvasp-87895",
"created_at": "2022-09-04T14:35:51.830830Z",
"updated_at": "2022-09-04T14:35:51.830848Z",
"structure_string": "Rb12 Ge4 O14\n1.0\n6.835628 0.000000 -0.190718\n0.000000 9.497644 0.000000\n-0.009463 0.000000 9.507740\nRb Ge O\n12 4 14\ndirect\n0.381540 0.285750 0.780718 Rb\n0.246141 0.524438 0.451245 Rb\n0.746141 0.975561 0.951245 Rb\n0.753860 0.475561 0.548755 Rb\n0.384064 0.147362 0.418654 Rb\n0.115936 0.647362 0.081347 Rb\n0.615936 0.852637 0.581346 Rb\n0.884065 0.352638 0.918653 Rb\n0.881540 0.214250 0.280718 Rb\n0.618460 0.714250 0.219282 Rb\n0.118461 0.785749 0.719282 Rb\n0.253860 0.024439 0.048755 Rb\n0.047995 0.861293 0.368870 Ge\n0.547995 0.638706 0.868870 Ge\n0.952006 0.138707 0.631130 Ge\n0.452006 0.361293 0.131130 Ge\n0.944119 0.916548 0.204852 O\n0.555882 0.416549 0.295148 O\n0.693015 0.159348 0.634748 O\n0.806987 0.659348 0.865251 O\n0.306986 0.840652 0.365251 O\n0.193014 0.340652 0.134749 O\n0.573898 0.210547 0.065608 O\n0.926103 0.710546 0.434392 O\n0.426103 0.789453 0.934392 O\n0.055882 0.083451 0.795148 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 O\n0.444119 0.583451 0.704852 O\n0.073898 0.289453 0.565608 O\n",
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{
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"structure_string": "Y1 Be1 Zn1\n1.0\n-1.566812 1.566812 5.346430\n1.566812 -1.566812 5.346430\n1.566812 1.566812 -5.346430\nY Be Zn\n1 1 1\ndirect\n0.338591 0.338591 0.000000 Y\n0.027064 0.027064 0.000000 Be\n0.634347 0.634347 0.000000 Zn\n",
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{
"id": "jvasp-40139",
"created_at": "2022-09-04T14:37:42.501602Z",
"updated_at": "2022-09-04T14:37:42.501618Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n7.094817 -0.000000 0.000000\n0.000000 7.946385 0.000000\n0.000000 0.000000 11.389802\nCa Sn S\n8 4 16\ndirect\n0.094313 -0.000020 0.684443 Ca\n0.405687 0.500019 0.184443 Ca\n0.905687 0.499980 0.315556 Ca\n0.594313 0.000020 0.815556 Ca\n0.905687 0.000020 0.315556 Ca\n0.594313 0.499980 0.815556 Ca\n0.094313 0.500019 0.684443 Ca\n0.405687 -0.000020 0.184443 Ca\n0.499968 0.250000 0.499988 Sn\n0.000032 0.250000 -0.000012 Sn\n0.500032 0.750000 0.500012 Sn\n-0.000032 0.750000 0.000012 Sn\n0.738267 0.499998 0.551660 S\n0.761733 0.000002 0.051660 S\n0.738267 0.000002 0.551660 S\n0.761733 0.499998 0.051660 S\n0.261733 0.500001 0.448339 S\n0.238267 -0.000002 0.948339 S\n0.625903 0.250000 0.294121 S\n0.625944 0.750000 0.294136 S\n0.374097 0.750000 0.705879 S\n0.125903 0.750000 0.205879 S\n0.374056 0.250000 0.705863 S\n0.125944 0.250000 0.205863 S\n0.238267 0.500001 0.948339 S\n0.874056 0.750000 0.794136 S\n0.874097 0.250000 0.794121 S\n0.261733 -0.000002 0.448339 S\n",
"nsites": 28,
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"volume": 642.135935859565,
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"formula_full": "Ca8 Sn4 S16",
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{
"id": "jvasp-40195",
"created_at": "2022-09-04T14:38:06.154650Z",
"updated_at": "2022-09-04T14:38:06.154659Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n3.972317 0.000000 0.000000\n0.000000 7.093421 -0.000000\n0.000000 -0.000000 11.394775\nCa Sn S\n4 2 8\ndirect\n0.500000 0.405861 0.815573 Ca\n0.500000 0.594138 0.184427 Ca\n0.500000 0.905861 0.684427 Ca\n0.500000 0.094139 0.315573 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.261715 0.551640 S\n0.500000 0.738285 0.448360 S\n0.500000 0.761714 0.948360 S\n0.500000 0.238285 0.051640 S\n0.000000 0.126020 0.794197 S\n0.000000 0.873980 0.205803 S\n0.000000 0.626019 0.705804 S\n0.000000 0.373980 0.294197 S\n",
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{
"id": "jvasp-50075",
"created_at": "2022-09-04T14:37:04.402404Z",
"updated_at": "2022-09-04T14:37:04.402430Z",
"structure_string": "Ga4 Hg2 O8\n1.0\n-0.000000 4.399395 4.399395\n4.399395 -0.000000 4.399395\n4.399395 4.399395 -0.000000\nGa Hg O\n4 2 8\ndirect\n0.500001 0.500001 0.000000 Ga\n0.500001 0.000000 0.500001 Ga\n0.000000 0.500001 0.500001 Ga\n0.500001 0.500001 0.500001 Ga\n0.125000 0.125000 0.125000 Hg\n0.875001 0.875001 0.875001 Hg\n0.270161 0.270161 0.270161 O\n0.689518 0.270161 0.270161 O\n0.729840 0.729840 0.310483 O\n0.729840 0.310483 0.729840 O\n0.270161 0.689518 0.270161 O\n0.270161 0.270161 0.689518 O\n0.310483 0.729840 0.729840 O\n0.729840 0.729840 0.729840 O\n",
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"density_atomic": 0.08220896288322349,
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"formula_full": "Ga4 Hg2 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-35322",
"created_at": "2022-09-04T14:37:35.535013Z",
"updated_at": "2022-09-04T14:37:35.535037Z",
"structure_string": "Al2 Ni4\n1.0\n2.012607 -3.485939 0.000000\n2.012607 3.485939 -0.000000\n-0.000000 0.000000 4.972990\nAl Ni\n2 4\ndirect\n0.333334 0.666668 0.194587 Al\n0.666668 0.333334 0.805413 Al\n0.333334 0.666668 0.690496 Ni\n0.666668 0.333334 0.309504 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
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{
"id": "jvasp-78993",
"created_at": "2022-09-04T14:37:17.805101Z",
"updated_at": "2022-09-04T14:37:17.805114Z",
"structure_string": "Tm1 Bi3\n1.0\n-2.322217 2.322217 5.571075\n2.322217 -2.322217 5.571075\n2.322217 2.322217 -5.571075\nTm Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500001 Bi\n0.250000 0.750000 0.500001 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
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"volume": 120.17236176930184,
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"formula_full": "Tm1 Bi3",
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},
{
"id": "jvasp-107917",
"created_at": "2022-09-04T14:37:50.437110Z",
"updated_at": "2022-09-04T14:37:50.437137Z",
"structure_string": "Er2 Bi6\n1.0\n6.847484 -0.000000 0.000000\n-3.423743 5.930095 0.000000\n0.000000 -0.000000 5.936296\nEr Bi\n2 6\ndirect\n0.333333 0.666666 0.750000 Er\n0.666666 0.333333 0.250000 Er\n0.173849 0.347697 0.250000 Bi\n0.652302 0.826151 0.250000 Bi\n0.173849 0.826151 0.250000 Bi\n0.826151 0.652302 0.750000 Bi\n0.347697 0.173848 0.750000 Bi\n0.826151 0.173848 0.750000 Bi\n",
"nsites": 8,
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},
{
"id": "jvasp-86492",
"created_at": "2022-09-04T14:35:53.771267Z",
"updated_at": "2022-09-04T14:35:53.771296Z",
"structure_string": "La1 Mg2 Ni9\n1.0\n4.691598 -0.001180 6.982622\n2.127068 4.181708 6.982622\n-0.001926 -0.001180 8.412378\nLa Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 La\n0.855171 0.855172 0.855170 Mg\n0.144829 0.144829 0.144829 Mg\n0.082923 0.587522 0.587521 Ni\n0.587521 0.082924 0.587521 Ni\n0.587522 0.587522 0.082923 Ni\n0.917077 0.412479 0.412478 Ni\n0.412479 0.917077 0.412478 Ni\n0.333458 0.333459 0.333458 Ni\n0.412478 0.412479 0.917077 Ni\n0.500000 0.500000 0.500000 Ni\n0.666541 0.666542 0.666541 Ni\n",
"nsites": 12,
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{
"id": "jvasp-67126",
"created_at": "2022-09-04T14:35:53.150382Z",
"updated_at": "2022-09-04T14:35:53.150392Z",
"structure_string": "Be1 Ni1 Br1\n1.0\n-1.570614 1.570614 4.658461\n1.570614 -1.570614 4.658461\n1.570614 1.570614 -4.658461\nBe Ni Br\n1 1 1\ndirect\n0.045071 0.045071 0.000000 Be\n0.608286 0.608286 0.000000 Ni\n0.346642 0.346642 0.000000 Br\n",
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{
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"structure_string": "Be2 Cu1 Br1\n1.0\n-1.631315 1.631315 5.911752\n1.631315 -1.631315 5.911752\n1.631315 1.631315 -5.911752\nBe Cu Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Cu\n0.500000 0.500000 0.000000 Br\n",
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{
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"structure_string": "Sn1 Pb4 Se5\n1.0\n4.369821 0.022047 17.470259\n2.170379 3.792793 17.470259\n0.037797 0.022047 18.008438\nSn Pb Se\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.600887 0.600887 0.600886 Pb\n0.200292 0.200292 0.200292 Pb\n0.799708 0.799709 0.799708 Pb\n0.399113 0.399114 0.399113 Pb\n0.698619 0.698620 0.698619 Se\n0.500000 0.500000 0.500000 Se\n0.099389 0.099389 0.099389 Se\n0.301381 0.301381 0.301381 Se\n0.900611 0.900612 0.900611 Se\n",
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}
]
}