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{
"id": "jvasp-100662",
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{
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"structure_string": "Cr1 Ni3\n1.0\n2.457899 0.003474 7.907359\n1.203511 2.143092 7.907359\n0.005925 0.003474 8.280553\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250670 0.250668 0.250669 Ni\n0.500002 0.499998 0.500000 Ni\n0.749334 0.749328 0.749331 Ni\n",
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{
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"structure_string": "Cr1 Ni3\n1.0\n3.548445 0.000000 -0.000000\n0.000000 3.548445 -0.000000\n-0.000000 -0.000000 3.548445\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.499999 0.499999 Ni\n0.499999 0.499999 0.000000 Ni\n0.499999 0.000000 0.499999 Ni\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.08952529419303411,
"volume": 44.680110085706225,
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"formula_full": "Cr1 Ni3",
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"spacegroup": 221
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{
"id": "jvasp-36162",
"created_at": "2022-09-04T14:37:30.557533Z",
"updated_at": "2022-09-04T14:37:30.557556Z",
"structure_string": "Cr1 Ni3\n1.0\n2.804555 2.804555 0.000000\n2.804555 0.000000 -2.804555\n0.000000 2.804555 -2.804555\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Ni\n0.749999 0.749999 0.749999 Ni\n0.499999 0.499999 0.499999 Ni\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cr-Ni",
"density": 8.584349216546446,
"density_atomic": 0.09066467551938279,
"volume": 44.118615955834514,
"volume_molar": 6.642212885560435,
"formula_full": "Cr1 Ni3",
"formula_reduced": "CrNi3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-36158",
"created_at": "2022-09-04T14:37:29.731890Z",
"updated_at": "2022-09-04T14:37:29.731921Z",
"structure_string": "Cr1 Ni3\n1.0\n3.511501 0.000000 -0.000000\n-0.000000 3.511501 0.000000\n-1.755750 -1.755750 3.573508\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Ni\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 4,
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"elements": [
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"density": 8.595059844269695,
"density_atomic": 0.09077779715069591,
"volume": 44.06363808718326,
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"formula_full": "Cr1 Ni3",
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"spacegroup": 139
},
{
"id": "jvasp-51243",
"created_at": "2022-09-04T14:37:01.814916Z",
"updated_at": "2022-09-04T14:37:01.814935Z",
"structure_string": "Cr1 Ni2 Hg1\n1.0\n0.000002 3.003006 3.003006\n3.003006 0.000002 3.003006\n3.003006 3.003006 0.000002\nCr Ni Hg\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Cr\n-0.000000 1.000001 0.000001 Ni\n0.750001 0.750001 0.750001 Ni\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.342815021446883,
"density_atomic": 0.0738519266653329,
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"formula_full": "Cr1 Ni2 Hg1",
"formula_reduced": "CrNi2Hg",
"formula_anonymous": "ABC2",
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{
"id": "jvasp-42465",
"created_at": "2022-09-04T14:36:49.021743Z",
"updated_at": "2022-09-04T14:36:49.021776Z",
"structure_string": "Cr1 Ni2\n1.0\n-1.786139 -1.234893 3.708340\n1.786139 1.234893 3.708340\n-1.786139 1.234893 -3.708340\nCr Ni\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.666168 0.666168 0.000000 Ni\n0.333832 0.333832 0.000000 Ni\n",
"nsites": 3,
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"elements": [
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"density": 8.596754852380839,
"density_atomic": 0.0916932012938874,
"volume": 32.71780194896512,
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"formula_full": "Cr1 Ni2",
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},
{
"id": "jvasp-106822",
"created_at": "2022-09-04T14:36:57.735981Z",
"updated_at": "2022-09-04T14:36:57.736013Z",
"structure_string": "Cr1 Ni1 Sb2\n1.0\n4.021813 0.000000 0.000000\n-2.010907 3.482992 0.000000\n-0.000000 -0.000000 5.438465\nCr Ni Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Ni\n0.333332 0.666666 0.264041 Sb\n0.666666 0.333333 0.735960 Sb\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.052506044571755464,
"volume": 76.18170503271384,
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"formula_full": "Cr1 Ni1 Sb2",
"formula_reduced": "CrNiSb2",
"formula_anonymous": "ABC2",
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"spacegroup": 164
},
{
"id": "jvasp-35794",
"created_at": "2022-09-04T14:37:28.904140Z",
"updated_at": "2022-09-04T14:37:28.904167Z",
"structure_string": "Cr1 Ni1 Sb1\n1.0\n2.946032 2.946032 -0.000000\n2.946032 -0.000000 -2.946032\n0.000000 2.946032 -2.946032\nCr Ni Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Ni\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
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"elements": [
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"density": 7.548059909719753,
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"volume": 51.137839441972304,
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"formula_full": "Cr1 Ni1 Sb1",
"formula_reduced": "CrNiSb",
"formula_anonymous": "ABC",
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{
"id": "jvasp-52750",
"created_at": "2022-09-04T14:37:33.270904Z",
"updated_at": "2022-09-04T14:37:33.270924Z",
"structure_string": "Cr1 Ni1 F6\n1.0\n4.341212 0.033968 2.953620\n1.580673 4.043358 2.953620\n0.049334 0.033968 5.250481\nCr Ni F\n1 1 6\ndirect\n0.499999 0.500001 0.500000 Cr\n0.000000 0.000000 0.000000 Ni\n0.118237 0.398661 0.740861 F\n0.398660 0.740862 0.118238 F\n0.740860 0.118239 0.398661 F\n0.259137 0.881763 0.601340 F\n0.601338 0.259140 0.881762 F\n0.881761 0.601340 0.259139 F\n",
"nsites": 8,
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"density": 4.09903243548265,
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"volume": 91.01898781832914,
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"formula_full": "Cr1 Ni1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-100412",
"created_at": "2022-09-04T14:36:35.688601Z",
"updated_at": "2022-09-04T14:36:35.688621Z",
"structure_string": "Cr1 Ni1\n1.0\n2.391866 0.007699 3.714934\n1.098260 2.124831 3.714934\n0.012601 0.007699 4.418325\nCr Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 Ni\n",
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"elements": [
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{
"id": "jvasp-36535",
"created_at": "2022-09-04T14:37:19.001794Z",
"updated_at": "2022-09-04T14:37:19.001818Z",
"structure_string": "Cr1 N2\n1.0\n-2.352481 -2.352481 0.000000\n-2.352481 0.000000 -2.352481\n-0.000000 -2.352481 -2.352481\nCr N\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
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