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{
"id": "jvasp-104743",
"created_at": "2022-09-04T14:36:52.430142Z",
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"structure_string": "Ga4 Bi3 As1\n1.0\n4.440708 0.035806 14.062344\n2.197396 3.859096 14.062344\n0.061025 0.035806 14.746717\nGa Bi As\n4 3 1\ndirect\n0.057130 0.057130 0.057130 Ga\n0.810520 0.810523 0.810519 Ga\n0.564052 0.564054 0.564051 Ga\n0.317699 0.317701 0.317699 Ga\n0.747009 0.747012 0.747008 Bi\n0.500291 0.500293 0.500290 Bi\n0.253413 0.253414 0.253413 Bi\n-0.000117 -0.000117 -0.000117 As\n",
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{
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"structure_string": "Na6 Sr6 Ga2 As8\n1.0\n4.811219 -8.333276 -0.000000\n4.811219 8.333276 0.000000\n-0.000000 -0.000000 7.550054\nNa Sr Ga As\n6 6 2 8\ndirect\n0.135367 0.864633 0.168909 Na\n0.270735 0.135367 0.668909 Na\n0.864633 0.729265 0.668909 Na\n0.729265 0.864633 0.168909 Na\n0.864633 0.135367 0.668909 Na\n0.135367 0.270735 0.168909 Na\n0.478293 0.521707 0.499413 Sr\n0.043413 0.521707 0.499413 Sr\n0.521707 0.478293 0.999413 Sr\n0.521707 0.043413 0.999413 Sr\n0.956587 0.478293 0.999413 Sr\n0.478293 0.956587 0.499413 Sr\n0.666667 0.333333 0.372977 Ga\n0.333333 0.666667 0.872977 Ga\n0.187925 0.812075 0.777859 As\n0.812075 0.187925 0.277859 As\n0.187925 0.375850 0.777859 As\n0.812075 0.624150 0.277859 As\n0.666667 0.333333 0.719577 As\n0.624150 0.812075 0.777859 As\n0.333333 0.666667 0.219578 As\n0.375850 0.187925 0.277859 As\n",
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{
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"updated_at": "2022-09-04T14:35:57.681707Z",
"structure_string": "Na1 H1\n1.0\n2.944416 0.000000 1.699960\n0.981472 2.776021 1.699960\n-0.000000 -0.000000 3.399918\nNa H\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 H\n",
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"volume": 27.790115957329203,
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"formula_full": "Na1 H1",
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"spacegroup": 225
},
{
"id": "jvasp-39611",
"created_at": "2022-09-04T14:38:29.311227Z",
"updated_at": "2022-09-04T14:38:29.311251Z",
"structure_string": "Tb1 Al1 Cu2\n1.0\n-0.000000 3.239482 3.239482\n3.239482 0.000000 3.239482\n3.239482 3.239482 0.000000\nTb Al Cu\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Tb\n0.250000 0.250000 0.250000 Al\n0.499999 0.499999 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"volume": 67.99182667514059,
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},
{
"id": "jvasp-70958",
"created_at": "2022-09-04T14:35:47.886400Z",
"updated_at": "2022-09-04T14:35:47.886430Z",
"structure_string": "Ca2 Be1 Bi1\n1.0\n4.451019 0.000000 0.000000\n-0.000000 4.451019 -0.000000\n0.000000 0.000000 6.275332\nCa Be Bi\n2 1 1\ndirect\n-0.000000 0.000000 0.913081 Ca\n0.500000 0.500000 0.341921 Ca\n-0.000000 0.000000 0.409873 Be\n0.500000 0.500000 0.835125 Bi\n",
"nsites": 4,
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],
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"volume": 124.32418005950117,
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"formula_full": "Ca2 Be1 Bi1",
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"spacegroup": 99
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{
"id": "jvasp-19690",
"created_at": "2022-09-04T14:38:32.667155Z",
"updated_at": "2022-09-04T14:38:32.667186Z",
"structure_string": "Ho1 Pb3\n1.0\n4.857465 -0.000000 0.000000\n-0.000000 4.857465 0.000000\n-0.000000 -0.000000 4.857465\nHo Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.499999 0.499999 Pb\n0.499999 0.499999 0.000000 Pb\n0.499999 0.000000 0.499999 Pb\n",
"nsites": 4,
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"elements": [
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"density": 11.395556174955262,
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"volume": 114.61172262007005,
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{
"id": "jvasp-51460",
"created_at": "2022-09-04T14:36:37.042334Z",
"updated_at": "2022-09-04T14:36:37.042359Z",
"structure_string": "Ga12 Fe4\n1.0\n6.255060 0.001282 0.001943\n-0.001267 6.255066 0.002376\n-0.002030 -0.002483 6.575709\nGa Fe\n12 4\ndirect\n0.345038 0.654975 0.237075 Ga\n0.845008 0.845027 0.262943 Ga\n0.654994 0.344991 0.762970 Ga\n0.655037 0.344974 0.237000 Ga\n0.000025 0.500040 0.999996 Ga\n0.154967 0.155004 0.737056 Ga\n0.499988 0.000016 0.500003 Ga\n0.844978 0.844987 0.737012 Ga\n0.344999 0.654999 0.762972 Ga\n0.155019 0.155014 0.262988 Ga\n0.999956 0.500010 0.499982 Ga\n0.499982 -0.000016 0.999998 Ga\n0.842578 0.157415 0.500000 Fe\n0.157416 0.842577 0.500006 Fe\n0.657426 0.657414 1.000000 Fe\n0.342588 0.342576 0.000003 Fe\n",
"nsites": 16,
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"volume": 257.28003381230906,
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"formula_full": "Ga12 Fe4",
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"spacegroup": 136
},
{
"id": "jvasp-57080",
"created_at": "2022-09-04T14:37:49.952326Z",
"updated_at": "2022-09-04T14:37:49.952346Z",
"structure_string": "K8 Na4 Tl4 O12\n1.0\n0.000000 6.327860 0.054475\n6.983885 0.000000 0.000000\n0.000000 -1.175811 -12.038392\nK Na Tl O\n8 4 4 12\ndirect\n0.573843 0.165865 0.141121 K\n0.929194 0.643202 0.860046 K\n0.070806 0.143201 0.639953 K\n0.573843 0.334135 0.641121 K\n0.426157 0.665865 0.358878 K\n0.070806 0.356799 0.139953 K\n0.426157 0.834136 0.858878 K\n0.929194 0.856799 0.360046 K\n0.361628 0.125156 0.412402 Na\n0.638371 0.874845 0.587597 Na\n0.638371 0.625156 0.087597 Na\n0.361629 0.374845 0.912402 Na\n0.857068 0.368565 0.406354 Tl\n0.857068 0.131435 0.906354 Tl\n0.142932 0.868565 0.093646 Tl\n0.142932 0.631436 0.593645 Tl\n0.242631 0.492061 0.746075 O\n0.722755 0.115726 0.468401 O\n0.722755 0.384275 0.968401 O\n0.277245 0.615726 0.031599 O\n0.794207 0.900111 0.035865 O\n0.205793 0.099890 0.964134 O\n0.205793 0.400110 0.464134 O\n0.242631 0.007939 0.246075 O\n0.757369 0.507939 0.253925 O\n0.757369 0.992062 0.753924 O\n0.277245 0.884275 0.531599 O\n0.794207 0.599890 0.535865 O\n",
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"formula_full": "K8 Na4 Tl4 O12",
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{
"id": "jvasp-117857",
"created_at": "2022-09-04T14:38:51.704523Z",
"updated_at": "2022-09-04T14:38:51.704544Z",
"structure_string": "Pb1 Se1 Br1\n1.0\n3.062982 -0.000000 -0.000000\n0.000000 3.062982 -0.000000\n-0.000000 0.000000 9.707745\nPb Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.347042 Pb\n0.000000 0.000000 0.652670 Se\n0.000000 0.000000 0.028592 Br\n",
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"volume": 91.07669219942464,
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},
{
"id": "jvasp-95064",
"created_at": "2022-09-04T14:35:49.843149Z",
"updated_at": "2022-09-04T14:35:49.843181Z",
"structure_string": "Nd2 Sn2 Au2\n1.0\n-2.364328 -4.095198 0.000000\n-2.364328 4.095198 -0.000000\n0.000000 0.000000 -7.903486\nNd Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.666639 0.333362 0.250000 Sn\n0.333362 0.666639 0.750000 Sn\n0.666697 0.333303 0.750000 Au\n0.333303 0.666697 0.250000 Au\n",
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},
{
"id": "jvasp-120581",
"created_at": "2022-09-04T14:38:52.652339Z",
"updated_at": "2022-09-04T14:38:52.652369Z",
"structure_string": "Li8 Cr2 F12\n1.0\n4.897278 0.000000 0.000000\n-0.000000 4.420968 2.078937\n-0.000000 -0.022660 10.067816\nLi Cr F\n8 2 12\ndirect\n0.548612 0.109527 0.359661 Li\n0.948103 0.772908 0.711784 Li\n0.048612 0.890473 0.140340 Li\n0.551898 0.772908 0.211784 Li\n0.448102 0.227092 0.788216 Li\n0.951388 0.109527 0.859661 Li\n0.051898 0.227092 0.288216 Li\n0.451388 0.890473 0.640340 Li\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.254295 0.197120 0.478899 F\n0.754295 0.802881 0.021101 F\n0.729238 0.103676 0.697512 F\n0.786605 0.463236 0.339622 F\n0.213395 0.536764 0.660379 F\n0.770763 0.103676 0.197512 F\n0.245705 0.197120 0.978899 F\n0.745705 0.802881 0.521102 F\n0.713395 0.463236 0.839622 F\n0.286605 0.536764 0.160379 F\n0.270763 0.896325 0.302489 F\n0.229237 0.896325 0.802489 F\n",
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