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{
"id": "jvasp-65518",
"created_at": "2022-09-04T14:36:12.779413Z",
"updated_at": "2022-09-04T14:36:12.779442Z",
"structure_string": "Ba1 Ir1 Pt2\n1.0\n3.370547 -0.000000 0.000000\n0.000000 3.370547 0.000000\n0.000000 0.000000 7.431239\nBa Ir Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.179542 Pt\n0.000000 0.000000 0.820458 Pt\n",
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{
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"created_at": "2022-09-04T14:35:59.834855Z",
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"structure_string": "Pr3 Al3 Cu3\n1.0\n0.000000 0.000000 -4.178529\n-3.622543 -6.274428 0.000000\n-3.622517 6.274413 0.000000\nPr Al Cu\n3 3 3\ndirect\n0.500000 0.583349 -0.000000 Pr\n0.500000 0.416632 0.416643 Pr\n0.500000 0.999989 0.583356 Pr\n0.000000 0.228234 -0.000000 Al\n0.000000 0.771736 0.771740 Al\n0.000000 -0.000004 0.228260 Al\n0.000000 0.333317 0.666666 Cu\n0.000000 0.666652 0.333333 Cu\n0.500000 -0.000006 0.000000 Cu\n",
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{
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"updated_at": "2022-09-04T14:38:14.495143Z",
"structure_string": "Mg2 Cd1 Hg1\n1.0\n4.264364 -0.000000 2.462032\n1.421455 4.020481 2.462032\n-0.000000 -0.000000 4.924064\nMg Cd Hg\n2 1 1\ndirect\n0.749998 0.750000 0.750000 Mg\n0.249999 0.250000 0.250000 Mg\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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{
"id": "jvasp-16204",
"created_at": "2022-09-04T14:36:40.706376Z",
"updated_at": "2022-09-04T14:36:40.706390Z",
"structure_string": "U2 P2 Se2\n1.0\n3.895252 0.000000 -0.000000\n0.000000 3.895252 -0.000000\n0.000000 -0.000000 8.345632\nU P Se\n2 2 2\ndirect\n0.500000 0.000000 0.743484 U\n0.000000 0.500000 0.256515 U\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.000000 0.500000 0.632311 Se\n0.500000 0.000000 0.367689 Se\n",
"nsites": 6,
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"elements": [
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"density": 9.126019684212979,
"density_atomic": 0.047382819674278466,
"volume": 126.62817538604759,
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"formula_full": "U2 P2 Se2",
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},
{
"id": "jvasp-69018",
"created_at": "2022-09-04T14:36:08.409192Z",
"updated_at": "2022-09-04T14:36:08.409223Z",
"structure_string": "Ba1 Be1 Nb2\n1.0\n4.255909 0.000000 0.000000\n0.000000 4.255909 0.000000\n0.000000 0.000000 4.660350\nBa Be Nb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Be\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n",
"nsites": 4,
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"elements": [
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"density": 6.534053599681754,
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"formula_full": "Ba1 Be1 Nb2",
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"spacegroup": 123
},
{
"id": "jvasp-100600",
"created_at": "2022-09-04T14:36:33.870267Z",
"updated_at": "2022-09-04T14:36:33.870290Z",
"structure_string": "Hf3 Hg1\n1.0\n3.964472 0.027379 -3.815564\n-0.699016 3.902457 -3.815565\n-0.022750 -0.027379 5.502277\nHf Hg\n3 1\ndirect\n0.749999 0.250000 0.500001 Hf\n0.249999 0.750001 0.500001 Hf\n0.499999 0.500001 0.000001 Hf\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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{
"id": "jvasp-42026",
"created_at": "2022-09-04T14:37:36.789134Z",
"updated_at": "2022-09-04T14:37:36.789155Z",
"structure_string": "Pr2 Ga6\n1.0\n3.273997 -5.670730 0.000000\n3.273997 5.670730 -0.000000\n-0.000000 -0.000000 4.546398\nPr Ga\n2 6\ndirect\n0.666667 0.333333 0.250000 Pr\n0.333333 0.666667 0.750000 Pr\n0.857847 0.715694 0.750000 Ga\n0.857847 0.142154 0.750000 Ga\n0.284307 0.142154 0.750000 Ga\n0.142154 0.284307 0.250000 Ga\n0.142154 0.857847 0.250000 Ga\n0.715694 0.857847 0.250000 Ga\n",
"nsites": 8,
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"formula_reduced": "PrGa3",
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"spacegroup": 194
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{
"id": "jvasp-21102",
"created_at": "2022-09-04T14:37:30.110364Z",
"updated_at": "2022-09-04T14:37:30.110389Z",
"structure_string": "Na20 Si4 P12\n1.0\n0.000000 7.945762 0.021315\n7.305787 0.000000 0.000000\n0.000000 -7.807301 -13.107448\nNa Si P\n20 4 12\ndirect\n0.556760 0.505986 0.741814 Na\n0.159032 0.163330 0.081018 Na\n0.840969 0.663330 0.418982 Na\n0.159032 0.336670 0.581018 Na\n0.835856 0.345800 0.258501 Na\n0.164144 0.845800 0.241500 Na\n0.164144 0.654200 0.741500 Na\n0.835856 0.154200 0.758501 Na\n0.252760 0.970668 0.917460 Na\n0.747240 0.470668 0.582540 Na\n0.840969 0.836670 0.918982 Na\n0.252760 0.529333 0.417460 Na\n0.916698 0.516143 0.088665 Na\n0.083302 0.016143 0.411336 Na\n0.083302 0.483857 0.911336 Na\n0.916698 0.983857 0.588665 Na\n0.556760 0.994015 0.241814 Na\n0.747240 0.029333 0.082540 Na\n0.443241 0.494014 0.258187 Na\n0.443241 0.005986 0.758187 Na\n0.487692 0.360701 0.915795 Si\n0.512308 0.860701 0.584205 Si\n0.512308 0.639300 0.084205 Si\n0.487692 0.139299 0.415795 Si\n0.520217 0.682442 0.934631 P\n0.240204 0.741489 0.579803 P\n0.759797 0.241489 0.920198 P\n0.759797 0.258511 0.420198 P\n0.240204 0.758512 0.079803 P\n0.801664 0.769019 0.722785 P\n0.198336 0.269019 0.777216 P\n0.198336 0.230981 0.277216 P\n0.801664 0.730982 0.222785 P\n0.479783 0.317558 0.065370 P\n0.520217 0.817558 0.434630 P\n0.479784 0.182442 0.565370 P\n",
"nsites": 36,
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"volume": 759.6721674648147,
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"formula_full": "Na20 Si4 P12",
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"formula_anonymous": "AB3C5",
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"spacegroup": 14
},
{
"id": "jvasp-79174",
"created_at": "2022-09-04T14:37:51.754111Z",
"updated_at": "2022-09-04T14:37:51.754137Z",
"structure_string": "Mg3 Al1\n1.0\n6.194716 -0.043181 0.000000\n-1.567377 2.714777 0.000000\n0.000000 0.000000 5.039135\nMg Al\n3 1\ndirect\n0.667407 0.667408 0.250000 Mg\n0.329044 0.329044 0.750001 Mg\n0.837136 0.337136 0.750001 Mg\n0.166413 0.666414 0.250000 Al\n",
"nsites": 4,
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"spacegroup": 25
},
{
"id": "jvasp-74230",
"created_at": "2022-09-04T14:35:54.938692Z",
"updated_at": "2022-09-04T14:35:54.938724Z",
"structure_string": "Ca2 Be1 Pt1\n1.0\n-2.461931 2.461931 3.481329\n2.461931 -2.461931 3.481329\n2.461931 2.461931 -3.481329\nCa Be Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Pt\n",
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{
"id": "jvasp-92868",
"created_at": "2022-09-04T14:36:18.220278Z",
"updated_at": "2022-09-04T14:36:18.220309Z",
"structure_string": "Mg6 Cr1 Cd1\n1.0\n6.247012 0.004358 0.000000\n-3.119733 5.412250 0.000000\n0.000000 0.000000 4.990264\nMg Cr Cd\n6 1 1\ndirect\n0.167560 0.836255 0.250000 Mg\n0.663745 0.332440 0.250000 Mg\n0.665510 0.834490 0.250000 Mg\n0.331012 0.655698 0.749999 Mg\n0.844302 0.168989 0.749999 Mg\n0.832913 0.667088 0.749999 Mg\n0.164186 0.335814 0.250000 Cr\n0.330773 0.169227 0.749999 Cd\n",
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{
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"created_at": "2022-09-04T14:36:58.414546Z",
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"structure_string": "La1 Zn2 Ag1\n1.0\n4.263884 -0.000000 2.461755\n1.421295 4.020029 2.461755\n-0.000000 -0.000000 4.923509\nLa Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.249999 0.250000 0.250000 Zn\n0.749998 0.750000 0.749999 Zn\n0.499999 0.500000 0.500000 Ag\n",
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}