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{
"id": "jvasp-40522",
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{
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"structure_string": "Ca1 Bi1 Au4\n1.0\n4.922492 -0.000000 2.842002\n1.640831 4.640970 2.842002\n-0.000000 -0.000000 5.684004\nCa Bi Au\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Bi\n0.624534 0.624534 0.624533 Au\n0.624534 0.624534 0.126399 Au\n0.624534 0.126399 0.624533 Au\n0.126399 0.624534 0.624533 Au\n",
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{
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"structure_string": "Ca2 Bi2 Au2\n1.0\n2.420010 -4.191580 -0.000000\n2.420010 4.191580 0.000000\n0.000000 -0.000000 7.870991\nCa Bi Au\n2 2 2\ndirect\n0.000000 0.000000 0.482260 Ca\n0.000000 0.000000 0.982260 Ca\n0.666667 0.333333 0.204874 Bi\n0.333333 0.666667 0.704874 Bi\n0.666667 0.333333 0.812866 Au\n0.333333 0.666667 0.312866 Au\n",
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},
{
"id": "jvasp-56075",
"created_at": "2022-09-04T14:37:27.806952Z",
"updated_at": "2022-09-04T14:37:27.806982Z",
"structure_string": "Ca1 Bi1 Au1\n1.0\n4.252195 -0.000000 2.455005\n1.417399 4.009007 2.455005\n0.000000 0.000000 4.910011\nCa Bi Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500000 0.499999 Bi\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
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"density_atomic": 0.035841716686939314,
"volume": 83.70134796286689,
"volume_molar": 16.802043307804123,
"formula_full": "Ca1 Bi1 Au1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-107402",
"created_at": "2022-09-04T14:36:50.491377Z",
"updated_at": "2022-09-04T14:36:50.491396Z",
"structure_string": "K2 Bi1 Au1 Br6\n1.0\n6.888433 -0.000000 3.977038\n2.296144 6.494477 3.977038\n-0.000000 -0.000000 7.954077\nK Bi Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Bi\n0.499999 0.500000 0.500001 Au\n0.745808 0.254191 0.254192 Br\n0.254191 0.254191 0.745809 Br\n0.254190 0.745809 0.745810 Br\n0.254190 0.745809 0.254191 Br\n0.745808 0.254191 0.745810 Br\n0.745808 0.745809 0.254192 Br\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Au-Bi-Br-K",
"density": 4.4965234150696896,
"density_atomic": 0.02810254082507772,
"volume": 355.83971080210483,
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"formula_full": "K2 Bi1 Au1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-29341",
"created_at": "2022-09-04T14:37:50.581511Z",
"updated_at": "2022-09-04T14:37:50.581529Z",
"structure_string": "Bi4 Au4 Br24\n1.0\n7.266249 -0.009382 -0.544875\n-3.839038 9.580459 -2.790226\n-0.006312 -0.099484 14.532175\nBi Au Br\n4 4 24\ndirect\n0.590789 0.921489 0.620164 Bi\n0.409212 0.078512 0.379837 Bi\n0.977141 0.312427 0.869749 Bi\n0.022859 0.687573 0.130252 Bi\n0.299778 0.635096 0.765486 Au\n0.700223 0.364905 0.234515 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.243941 0.895389 0.030530 Br\n0.734286 0.800164 0.025059 Br\n0.265714 0.199836 0.974941 Br\n0.590053 0.184694 0.738838 Br\n0.759700 0.046573 0.482920 Br\n0.993929 0.057903 0.723948 Br\n0.006071 0.942097 0.276053 Br\n0.756060 0.104611 0.969470 Br\n0.240300 0.953428 0.517080 Br\n0.409948 0.815306 0.261163 Br\n0.214415 0.285822 0.489717 Br\n0.654887 0.581828 0.227853 Br\n0.275998 0.627292 0.493156 Br\n0.724002 0.372709 0.506844 Br\n0.727387 0.436857 0.978518 Br\n0.345113 0.418173 0.772148 Br\n0.049503 0.467723 0.218512 Br\n0.950497 0.532278 0.781488 Br\n0.752646 0.154477 0.249506 Br\n0.247355 0.845523 0.750494 Br\n0.350535 0.258176 0.247748 Br\n0.649466 0.741825 0.752252 Br\n0.785586 0.714179 0.510283 Br\n0.272613 0.563144 0.021482 Br\n",
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"volume": 1008.8612207028478,
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"formula_full": "Bi4 Au4 Br24",
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"spacegroup": 2
},
{
"id": "jvasp-93439",
"created_at": "2022-09-04T14:36:10.140226Z",
"updated_at": "2022-09-04T14:36:10.140248Z",
"structure_string": "Bi2 Au4\n1.0\n4.945721 -0.000000 2.855413\n1.648574 4.662870 2.855413\n0.000000 0.000000 5.710827\nBi Au\n2 4\ndirect\n0.874999 0.875000 0.875000 Bi\n0.125000 0.125000 0.125000 Bi\n0.500000 -0.000000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.499999 0.500000 0.500000 Au\n0.499999 0.500000 -0.000000 Au\n",
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"formula_full": "Bi2 Au4",
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"spacegroup": 227
},
{
"id": "jvasp-104560",
"created_at": "2022-09-04T14:36:42.560555Z",
"updated_at": "2022-09-04T14:36:42.560580Z",
"structure_string": "Bi3 Au1\n1.0\n4.330572 -0.322672 -3.764451\n-1.109751 4.198383 -3.764451\n0.268149 0.322672 5.731757\nBi Au\n3 1\ndirect\n0.750000 0.250000 0.500000 Bi\n0.250000 0.749999 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Au\n",
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"spacegroup": 139
},
{
"id": "jvasp-110404",
"created_at": "2022-09-04T14:38:38.122097Z",
"updated_at": "2022-09-04T14:38:38.122127Z",
"structure_string": "Bi3 Au1\n1.0\n4.703324 -0.000000 2.715465\n1.567775 4.434337 2.715465\n0.000000 0.000000 5.430931\nBi Au\n3 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750000 0.750001 0.750001 Bi\n0.500000 0.500000 0.500001 Bi\n0.000000 0.000000 0.000000 Au\n",
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},
{
"id": "jvasp-101068",
"created_at": "2022-09-04T14:37:02.423614Z",
"updated_at": "2022-09-04T14:37:02.423637Z",
"structure_string": "Bi8 Au2\n1.0\n6.777281 -0.000000 3.912865\n2.259094 6.389682 3.912865\n-0.000000 -0.000000 7.825730\nBi Au\n8 2\ndirect\n0.398151 0.398151 0.398152 Bi\n0.398151 0.398151 0.805548 Bi\n0.398151 0.805548 0.398152 Bi\n0.851848 0.851849 0.444454 Bi\n0.851848 0.851849 0.851850 Bi\n0.805547 0.398151 0.398152 Bi\n0.851849 0.444453 0.851850 Bi\n0.444451 0.851849 0.851850 Bi\n0.000000 0.000000 0.000000 Au\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "jvasp-102459",
"created_at": "2022-09-04T14:36:49.394946Z",
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"structure_string": "Bi3 Au1\n1.0\n4.836971 0.000000 0.000000\n0.000000 4.836971 0.000000\n0.000000 0.000000 4.836971\nBi Au\n3 1\ndirect\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 -0.000000 Bi\n0.000000 0.000000 0.000000 Au\n",
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},
{
"id": "jvasp-40403",
"created_at": "2022-09-04T14:37:37.104324Z",
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}