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{
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{
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"created_at": "2022-09-04T14:35:58.778345Z",
"updated_at": "2022-09-04T14:35:58.778365Z",
"structure_string": "Ba4 Ca1 Nb1\n1.0\n-0.000000 5.154241 5.154241\n5.154241 0.000000 5.154241\n5.154241 5.154241 0.000000\nBa Ca Nb\n4 1 1\ndirect\n0.121382 0.626206 0.626206 Ba\n0.626206 0.626206 0.626206 Ba\n0.626206 0.121382 0.626206 Ba\n0.626206 0.626206 0.121382 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Nb\n",
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"density_atomic": 0.021909228808682308,
"volume": 273.8571974574608,
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"formula_full": "Ba4 Ca1 Nb1",
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{
"id": "jvasp-99409",
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"updated_at": "2022-09-04T14:36:36.280469Z",
"structure_string": "Ba4 Ca2 N4\n1.0\n3.649375 -0.000000 0.000000\n0.000000 5.945102 0.000000\n-0.000000 -0.000000 11.294711\nBa Ca N\n4 2 4\ndirect\n0.228611 0.250000 0.931976 Ba\n0.228611 0.250000 0.568024 Ba\n0.771390 0.750000 0.068024 Ba\n0.771390 0.750000 0.431976 Ba\n0.224690 0.250000 0.250000 Ca\n0.775312 0.750000 0.750000 Ca\n0.710407 0.250000 0.403112 N\n0.710407 0.250000 0.096888 N\n0.289595 0.750000 0.596888 N\n0.289595 0.750000 0.903112 N\n",
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"formula_full": "Ba4 Ca2 N4",
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"spacegroup": 59
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{
"id": "jvasp-113459",
"created_at": "2022-09-04T14:38:44.982104Z",
"updated_at": "2022-09-04T14:38:44.982134Z",
"structure_string": "Ba1 Ca2 N2\n1.0\n4.063897 -0.000000 -0.000000\n-2.031949 3.519438 -0.000000\n-0.000000 -0.000000 7.008402\nBa Ca N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333334 0.666667 0.862085 Ca\n0.666667 0.333334 0.137914 Ca\n0.333334 0.666667 0.226383 N\n0.666667 0.333334 0.773616 N\n",
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{
"id": "jvasp-68936",
"created_at": "2022-09-04T14:36:06.909673Z",
"updated_at": "2022-09-04T14:36:06.909700Z",
"structure_string": "Ba2 Ca1 Mo1\n1.0\n0.000000 4.176562 4.176562\n4.176562 0.000000 4.176562\n4.176562 4.176562 0.000000\nBa Ca Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mo\n",
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{
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"created_at": "2022-09-04T14:36:05.896435Z",
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"structure_string": "Ba4 Ca1 Mo1\n1.0\n0.000000 4.987160 4.987160\n4.987160 -0.000000 4.987160\n4.987160 4.987160 -0.000000\nBa Ca Mo\n4 1 1\ndirect\n0.119594 0.626802 0.626802 Ba\n0.626802 0.626802 0.626802 Ba\n0.626802 0.119594 0.626802 Ba\n0.626802 0.626802 0.119594 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Mo\n",
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},
{
"id": "jvasp-69136",
"created_at": "2022-09-04T14:36:14.534148Z",
"updated_at": "2022-09-04T14:36:14.534164Z",
"structure_string": "Ba1 Ca2 Mg1\n1.0\n4.232958 0.000000 0.000000\n0.000000 4.232958 0.000000\n0.000000 -0.000000 9.010209\nBa Ca Mg\n1 2 1\ndirect\n0.500000 0.500000 0.717346 Ba\n0.000000 0.000000 0.032908 Ca\n0.500000 0.500000 0.284466 Ca\n0.000000 0.000000 0.465282 Mg\n",
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{
"id": "jvasp-69311",
"created_at": "2022-09-04T14:36:14.445685Z",
"updated_at": "2022-09-04T14:36:14.445712Z",
"structure_string": "Ba1 Ca2 Mg1\n1.0\n4.232383 0.000000 0.000000\n0.000000 4.233321 0.000000\n0.000000 0.000000 9.010536\nBa Ca Mg\n1 2 1\ndirect\n0.500000 0.500000 0.717344 Ba\n0.000000 0.000000 0.032846 Ca\n0.500000 0.500000 0.284467 Ca\n0.000000 0.000000 0.465344 Mg\n",
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{
"id": "jvasp-65733",
"created_at": "2022-09-04T14:35:42.647082Z",
"updated_at": "2022-09-04T14:35:42.647109Z",
"structure_string": "Ba1 Ca1 Mg2\n1.0\n5.919570 -0.000000 -0.000000\n0.000000 5.919570 0.000000\n-0.000000 0.000000 4.043095\nBa Ca Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ba\n0.000000 0.000000 0.499999 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n",
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{
"id": "jvasp-65509",
"created_at": "2022-09-04T14:36:00.006214Z",
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"structure_string": "Ba1 Ca2 Ir1\n1.0\n4.708621 0.000000 0.000000\n0.000000 4.708621 0.000000\n0.000000 0.000000 5.115282\nBa Ca Ir\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ir\n",
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}