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{
"id": "jvasp-50021",
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{
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{
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"structure_string": "Ca1 Pb1 F6\n1.0\n5.326751 0.000000 3.075401\n1.775584 5.022109 3.075401\n0.000000 0.000000 6.150802\nCa Pb F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n0.240833 0.759167 0.759167 F\n0.240833 0.759167 0.240833 F\n0.759167 0.240833 0.240833 F\n0.759166 0.759167 0.240833 F\n0.240833 0.240833 0.759167 F\n0.759167 0.240833 0.759167 F\n",
"nsites": 8,
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"density": 3.6458501859761405,
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"volume": 164.54332817019142,
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"formula_full": "Ca1 Pb1 F6",
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{
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"created_at": "2022-09-04T14:38:54.597600Z",
"updated_at": "2022-09-04T14:38:54.597628Z",
"structure_string": "Ca1 P3\n1.0\n3.217010 -0.000000 -1.030127\n-0.075024 4.446344 -0.234294\n0.063997 -0.322795 5.738163\nCa P\n1 3\ndirect\n0.342187 -0.022927 0.684374 Ca\n0.619768 0.092626 0.239534 P\n0.117716 0.430998 0.235430 P\n0.920331 0.499299 0.840661 P\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-P",
"density": 2.6899142343708773,
"density_atomic": 0.0487191853264749,
"volume": 82.10317913149353,
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{
"id": "jvasp-92378",
"created_at": "2022-09-04T14:35:49.632805Z",
"updated_at": "2022-09-04T14:35:49.632816Z",
"structure_string": "Ca1 P2 Ru2\n1.0\n3.810108 -0.000000 -1.458031\n-0.557952 3.769033 -1.458031\n0.001483 0.001719 5.711151\nCa P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.632685 0.632684 0.265371 P\n0.367315 0.367315 0.734629 P\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
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"formula_full": "Ca1 P2 Ru2",
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{
"id": "jvasp-15527",
"created_at": "2022-09-04T14:36:59.561054Z",
"updated_at": "2022-09-04T14:36:59.561062Z",
"structure_string": "Ca1 P2 Ru2\n1.0\n3.810108 -0.000000 -1.458031\n-0.557952 3.769033 -1.458031\n0.001483 0.001719 5.711151\nCa P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.632685 0.632684 0.265371 P\n0.367315 0.367315 0.734629 P\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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{
"id": "jvasp-16068",
"created_at": "2022-09-04T14:36:40.602284Z",
"updated_at": "2022-09-04T14:36:40.602303Z",
"structure_string": "Ca1 P2 Rh2\n1.0\n3.776311 0.000000 -1.450274\n-0.556971 3.735011 -1.450274\n0.005393 0.006257 5.655672\nCa P Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.615822 0.615822 0.231644 P\n0.384178 0.384179 0.768357 P\n0.250000 0.750000 0.500001 Rh\n0.750000 0.250000 0.500001 Rh\n",
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{
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"created_at": "2022-09-04T14:35:46.349869Z",
"updated_at": "2022-09-04T14:35:46.349902Z",
"structure_string": "Ca1 P2 Pd2\n1.0\n3.895995 -0.000000 -1.536408\n-0.605891 3.848593 -1.536408\n-0.005209 -0.006093 5.694694\nCa P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.612429 0.612428 0.224857 P\n0.387572 0.387572 0.775141 P\n0.250000 0.750000 0.499999 Pd\n0.750001 0.250000 0.499999 Pd\n",
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{
"id": "jvasp-117986",
"created_at": "2022-09-04T14:38:52.322039Z",
"updated_at": "2022-09-04T14:38:52.322072Z",
"structure_string": "Ca1 P1 N2\n1.0\n3.148209 0.000000 -0.000000\n0.000000 3.148209 0.000000\n-0.000000 0.000000 5.181472\nCa P N\n1 1 2\ndirect\n0.500001 0.500001 0.473029 Ca\n0.000000 0.000000 0.917755 P\n0.000000 0.000000 0.612422 N\n0.500001 0.500001 0.006792 N\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-117985",
"created_at": "2022-09-04T14:38:52.300050Z",
"updated_at": "2022-09-04T14:38:52.300070Z",
"structure_string": "Ca1 P1 N1\n1.0\n3.524378 0.000000 -0.000000\n0.000000 3.524378 0.000000\n0.000000 -0.000000 6.494473\nCa P N\n1 1 1\ndirect\n0.000000 0.000000 0.405613 Ca\n0.000000 0.000000 -0.023415 P\n0.000000 0.000000 0.742029 N\n",
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},
{
"id": "jvasp-115448",
"created_at": "2022-09-04T14:38:45.023134Z",
"updated_at": "2022-09-04T14:38:45.023156Z",
"structure_string": "Ca1 P1 Au1\n1.0\n2.911071 0.000000 0.000000\n0.000000 2.911071 0.000000\n0.000000 0.000000 8.131745\nCa P Au\n1 1 1\ndirect\n0.000000 0.000000 -0.009124 Ca\n0.000000 0.000000 0.653151 P\n0.000000 0.000000 0.343856 Au\n",
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{
"id": "jvasp-36624",
"created_at": "2022-09-04T14:37:29.860262Z",
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