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{
"id": "jvasp-114824",
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{
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"structure_string": "Cr1 H1\n1.0\n2.314177 0.000000 1.336091\n0.771392 2.181827 1.336091\n0.000000 0.000000 2.672181\nCr H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.499999 H\n",
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{
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"structure_string": "Cr1 Ge1 Ru2\n1.0\n3.680599 0.000000 2.124994\n1.226866 3.470102 2.124994\n0.000000 0.000000 4.249989\nCr Ge Ru\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Cr\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.249999 Ru\n0.750001 0.750000 0.749998 Ru\n",
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"formula_full": "Cr1 Ge1 Ru2",
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{
"id": "jvasp-40837",
"created_at": "2022-09-04T14:37:53.978753Z",
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"structure_string": "Cr1 Ge1 Rh1\n1.0\n3.554097 0.000000 2.051958\n1.184698 3.350835 2.051958\n0.000000 0.000000 4.103918\nCr Ge Rh\n1 1 1\ndirect\n0.500000 0.500001 0.500000 Cr\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.06138189054760495,
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"formula_full": "Cr1 Ge1 Rh1",
"formula_reduced": "CrGeRh",
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"spacegroup": 216
},
{
"id": "jvasp-112896",
"created_at": "2022-09-04T14:38:44.302475Z",
"updated_at": "2022-09-04T14:38:44.302500Z",
"structure_string": "Cr1 Ga7 P8\n1.0\n5.497168 0.000000 0.000000\n0.000000 5.497168 0.000000\n0.000000 0.000000 10.952039\nCr Ga P\n1 7 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.751498 Ga\n-0.000000 0.500000 0.248502 Ga\n0.500000 0.000000 0.248502 Ga\n-0.000000 0.500000 0.751498 Ga\n0.754022 0.245978 0.877959 P\n0.245978 0.754022 0.877959 P\n0.754022 0.754022 0.122042 P\n0.245978 0.245978 0.122042 P\n0.749771 0.250229 0.374468 P\n0.250229 0.749771 0.374468 P\n0.749771 0.749771 0.625532 P\n0.250229 0.250229 0.625532 P\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cr-Ga-P",
"density": 3.9529205911786773,
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"volume": 330.958089668878,
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"formula_full": "Cr1 Ga7 P8",
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{
"id": "jvasp-92728",
"created_at": "2022-09-04T14:36:33.162560Z",
"updated_at": "2022-09-04T14:36:33.162570Z",
"structure_string": "Cr1 Ga4\n1.0\n-2.825184 -2.825184 2.825184\n-2.825184 2.825184 -2.825184\n2.825184 -2.825184 -2.825184\nCr Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.000000 0.000000 Ga\n0.000000 0.499999 0.000000 Ga\n0.000000 0.000000 0.499999 Ga\n0.499999 0.499999 0.499999 Ga\n",
"nsites": 5,
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"elements": [
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{
"id": "jvasp-37972",
"created_at": "2022-09-04T14:38:11.137585Z",
"updated_at": "2022-09-04T14:38:11.137600Z",
"structure_string": "Cr1 Ga3 P4\n1.0\n5.483420 -0.000000 0.000000\n-0.000000 5.483420 -0.000000\n0.000000 0.000000 5.483420\nCr Ga P\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.246111 0.246111 0.246111 P\n0.753889 0.753889 0.246111 P\n0.246111 0.753889 0.753889 P\n0.753889 0.246111 0.753889 P\n",
"nsites": 8,
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"density_atomic": 0.04852163781624648,
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"formula_full": "Cr1 Ga3 P4",
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"formula_anonymous": "AB3C4",
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},
{
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"created_at": "2022-09-04T14:38:39.731303Z",
"updated_at": "2022-09-04T14:38:39.731317Z",
"structure_string": "Cr1 Ga2 S4\n1.0\n3.598924 -0.000136 -0.000157\n-1.799577 3.116571 0.000397\n0.000302 0.000433 12.187727\nCr Ga S\n1 2 4\ndirect\n0.999950 0.000004 0.500003 Cr\n0.333360 0.666834 0.216103 Ga\n0.666553 0.333158 0.783900 Ga\n0.333290 0.666769 0.401847 S\n0.666616 0.333238 0.598154 S\n0.333214 0.666433 0.871015 S\n0.666703 0.333557 0.128980 S\n",
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"volume": 136.69824558963842,
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"formula_full": "Cr1 Ga2 S4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 164
},
{
"id": "jvasp-51193",
"created_at": "2022-09-04T14:36:42.245074Z",
"updated_at": "2022-09-04T14:36:42.245094Z",
"structure_string": "Cr1 Ga1 Te1\n1.0\n0.000000 3.355287 3.355287\n3.355287 -0.000000 3.355287\n3.355287 3.355287 -0.000000\nCr Ga Te\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Cr\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Te\n",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-109512",
"created_at": "2022-09-04T14:38:10.756071Z",
"updated_at": "2022-09-04T14:38:10.756090Z",
"structure_string": "Cr1 Ga1 Ru2\n1.0\n3.665892 -0.000000 2.116504\n1.221964 3.456236 2.116504\n0.000000 -0.000000 4.233007\nCr Ga Ru\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Cr\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ru\n0.749999 0.750001 0.750000 Ru\n",
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},
{
"id": "jvasp-102274",
"created_at": "2022-09-04T14:36:48.582375Z",
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"structure_string": "Cr1 Ga1 Rh2\n1.0\n3.702780 -0.000000 2.137801\n1.234260 3.491015 2.137801\n0.000000 -0.000000 4.275602\nCr Ga Rh\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Cr\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.749999 0.750000 Rh\n",
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{
"id": "jvasp-35729",
"created_at": "2022-09-04T14:37:33.771007Z",
"updated_at": "2022-09-04T14:37:33.771044Z",
"structure_string": "Cr1 Ga1 P2\n1.0\n3.867221 0.000000 -0.000000\n0.000000 3.867221 -0.000000\n-0.000000 0.000000 5.439031\nCr Ga P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.758469 P\n0.000000 0.500000 0.241531 P\n",
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