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{
"id": "jvasp-85127",
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"structure_string": "La2 Rh2\n1.0\n-3.994387 -0.000000 0.000000\n0.000000 -0.000000 -4.236303\n1.997194 -5.640401 0.000000\nLa Rh\n2 2\ndirect\n0.860968 0.749999 0.721932 La\n0.139034 0.250000 0.278068 La\n0.589539 0.749999 0.179076 Rh\n0.410463 0.250000 0.820924 Rh\n",
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{
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"structure_string": "Ca12 N8\n1.0\n6.184494 -0.000000 0.000000\n-0.000000 6.327042 0.000000\n0.000000 0.000000 8.904084\nCa N\n12 8\ndirect\n0.606514 0.105277 0.847221 Ca\n0.893485 0.605277 0.652778 Ca\n0.106515 0.394723 0.347222 Ca\n0.393485 0.894723 0.152778 Ca\n0.044789 0.250000 0.000000 Ca\n0.393485 0.605277 0.847221 Ca\n0.606514 0.394723 0.152778 Ca\n0.893485 0.894723 0.347222 Ca\n0.106515 0.105277 0.652778 Ca\n0.455211 0.750000 0.500000 Ca\n0.955211 0.750000 0.000000 Ca\n0.544788 0.250000 0.500000 Ca\n0.247283 0.968392 0.887585 N\n0.752716 0.031607 0.112414 N\n0.747283 0.531607 0.387585 N\n0.252717 0.031607 0.387585 N\n0.747283 0.968392 0.612414 N\n0.752716 0.468393 0.887585 N\n0.252717 0.468393 0.612414 N\n0.247283 0.531607 0.112414 N\n",
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{
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"updated_at": "2022-09-04T14:37:08.971695Z",
"structure_string": "Cd7 I14\n1.0\n4.286224 0.000000 0.000000\n-2.143112 3.711980 -0.000000\n0.000000 0.000000 48.144284\nCd I\n7 14\ndirect\n0.000000 0.000000 0.178565 Cd\n0.333333 0.666667 0.035695 Cd\n0.333333 0.666667 0.892866 Cd\n0.000000 0.000000 0.749972 Cd\n0.333333 0.666667 0.321428 Cd\n0.333333 0.666667 0.464258 Cd\n0.000000 0.000000 0.607151 Cd\n0.666667 0.333333 0.071729 I\n0.666667 0.333333 0.786009 I\n0.666667 0.333333 0.500298 I\n0.333333 0.666667 0.142569 I\n0.666667 0.333333 0.643173 I\n0.000000 0.000000 0.856861 I\n0.333333 0.666667 0.713971 I\n0.666667 0.333333 0.928890 I\n0.000000 0.000000 -0.000308 I\n0.333333 0.666667 0.571144 I\n0.000000 0.000000 0.428257 I\n0.666667 0.333333 0.214602 I\n0.666667 0.333333 0.357451 I\n0.000000 0.000000 0.285421 I\n",
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"elements": [
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"density": 5.557300755847888,
"density_atomic": 0.027415367450174175,
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"formula_full": "Cd7 I14",
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{
"id": "jvasp-29379",
"created_at": "2022-09-04T14:37:07.751647Z",
"updated_at": "2022-09-04T14:37:07.751663Z",
"structure_string": "Pb4 O2\n1.0\n5.454877 -0.000114 0.000114\n-0.000114 5.454877 0.000114\n0.000114 0.000114 5.454877\nPb O\n4 2\ndirect\n0.750001 0.750001 0.249999 Pb\n0.750001 0.250000 0.750000 Pb\n0.250000 0.750001 0.750000 Pb\n0.250000 0.250000 0.249999 Pb\n0.000024 0.000024 0.999976 O\n0.499975 0.499975 0.500025 O\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-79452",
"created_at": "2022-09-04T14:37:14.191403Z",
"updated_at": "2022-09-04T14:37:14.191430Z",
"structure_string": "Ir2 N2\n1.0\n2.749098 0.000000 0.000000\n-0.000000 2.749098 0.000000\n0.000000 0.000000 6.055650\nIr N\n2 2\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.750000 N\n0.000000 0.000000 0.250000 N\n",
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{
"id": "jvasp-10581",
"created_at": "2022-09-04T14:37:08.362617Z",
"updated_at": "2022-09-04T14:37:08.362633Z",
"structure_string": "Lu2 P10\n1.0\n0.000000 4.907355 0.010981\n9.350894 0.000000 0.000000\n0.000000 -1.151730 -5.184714\nLu P\n2 10\ndirect\n0.996634 0.250000 0.651598 Lu\n0.003365 0.750000 0.348401 Lu\n0.731185 0.250000 0.109150 P\n0.268814 0.750000 0.890850 P\n0.381213 0.406518 0.040477 P\n0.618786 0.906517 0.959522 P\n0.618786 0.593482 0.959522 P\n0.381213 0.093482 0.040477 P\n0.280649 0.471247 0.404739 P\n0.719349 0.971246 0.595261 P\n0.719349 0.528753 0.595261 P\n0.280649 0.028753 0.404739 P\n",
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"density": 4.606461151683335,
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"formula_full": "Lu2 P10",
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"spacegroup": 11
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{
"id": "jvasp-36645",
"created_at": "2022-09-04T14:37:19.477698Z",
"updated_at": "2022-09-04T14:37:19.477723Z",
"structure_string": "Tm2 Au2\n1.0\n-3.670375 -0.000000 0.000000\n-0.000000 -0.000000 -4.588913\n-1.835187 -5.401568 0.000000\nTm Au\n2 2\ndirect\n0.138729 0.749999 0.722542 Tm\n0.861273 0.250000 0.277458 Tm\n0.408628 0.749999 0.182745 Au\n0.591374 0.250000 0.817256 Au\n",
"nsites": 4,
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"spacegroup": 63
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{
"id": "jvasp-100980",
"created_at": "2022-09-04T14:37:14.201020Z",
"updated_at": "2022-09-04T14:37:14.201042Z",
"structure_string": "Hg2 Br6\n1.0\n8.616844 -0.000000 0.000000\n-4.308422 7.462406 0.000000\n-0.000000 -0.000000 3.871732\nHg Br\n2 6\ndirect\n0.333334 0.666667 0.750000 Hg\n0.666667 0.333334 0.250000 Hg\n0.192052 0.384103 0.250000 Br\n0.615898 0.807949 0.250000 Br\n0.192052 0.807949 0.250000 Br\n0.807948 0.615898 0.750000 Br\n0.384102 0.192052 0.750000 Br\n0.807948 0.192052 0.750000 Br\n",
"nsites": 8,
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"spacegroup": 194
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{
"id": "jvasp-38942",
"created_at": "2022-09-04T14:37:27.914362Z",
"updated_at": "2022-09-04T14:37:27.914385Z",
"structure_string": "Mg3 Cr1\n1.0\n-2.209607 2.209607 4.159850\n2.209607 -2.209607 4.159850\n2.209607 2.209607 -4.159850\nMg Cr\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750002 0.250000 0.500002 Mg\n0.250000 0.750002 0.500002 Mg\n0.000000 0.000000 0.000000 Cr\n",
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{
"id": "jvasp-30633",
"created_at": "2022-09-04T14:37:26.883866Z",
"updated_at": "2022-09-04T14:37:26.883891Z",
"structure_string": "Mo1 O2\n1.0\n2.804543 0.000569 4.255763\n1.276599 2.497149 4.255763\n0.000930 0.000569 5.096761\nMo O\n1 2\ndirect\n0.500001 0.500000 0.499999 Mo\n0.753120 0.753119 0.753118 O\n0.246881 0.246879 0.246879 O\n",
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{
"id": "jvasp-29566",
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"structure_string": "Hg8 I16\n1.0\n8.912005 0.000000 -0.000000\n0.000000 8.912005 -0.000000\n-0.000000 -0.000000 12.391895\nHg I\n8 16\ndirect\n-0.001797 0.750000 0.122770 Hg\n0.250000 0.001797 0.377230 Hg\n0.498203 0.250000 0.877230 Hg\n0.250000 0.498203 0.377230 Hg\n0.501797 0.750000 0.122770 Hg\n0.750000 -0.001797 0.622770 Hg\n0.750000 0.501797 0.622770 Hg\n0.001797 0.250000 0.877230 Hg\n0.516636 0.016636 0.250000 I\n0.983364 0.483364 0.250000 I\n0.750000 0.750000 0.476432 I\n0.250000 0.750000 0.980632 I\n0.483364 0.983364 0.750000 I\n0.250000 0.750000 0.519367 I\n0.250000 0.250000 0.023567 I\n0.483364 0.516636 0.750000 I\n0.016636 0.516636 0.750000 I\n0.750000 0.250000 0.480632 I\n0.516636 0.483364 0.250000 I\n0.983364 0.016636 0.250000 I\n0.250000 0.250000 0.523567 I\n0.750000 0.250000 0.019367 I\n0.016636 0.983364 0.750000 I\n0.750000 0.750000 0.976432 I\n",
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{
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"structure_string": "Mg1 O1\n1.0\n2.640580 -0.000000 0.000000\n-0.000000 2.640580 -0.000000\n0.000000 0.000000 2.640580\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 O\n",
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}