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{
"id": "jvasp-115234",
"created_at": "2022-09-04T14:38:45.492960Z",
"updated_at": "2022-09-04T14:38:45.492986Z",
"structure_string": "Mg1 O2\n1.0\n3.134255 0.000000 0.000000\n0.000000 3.722753 0.000000\n0.000000 0.000000 3.791445\nMg O\n1 2\ndirect\n0.466669 0.000000 0.000000 Mg\n-0.033334 0.000000 0.690581 O\n-0.033334 0.000000 0.309417 O\n",
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{
"id": "jvasp-115236",
"created_at": "2022-09-04T14:38:44.485111Z",
"updated_at": "2022-09-04T14:38:44.485128Z",
"structure_string": "Mg1 O2\n1.0\n3.657324 -0.403643 -0.607463\n-0.905549 -2.864761 -0.034313\n-1.393719 4.853321 -2.078775\nMg O\n1 2\ndirect\n0.078824 0.195691 0.120916 Mg\n0.602495 0.356980 -0.061741 O\n0.555164 0.034457 0.303635 O\n",
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{
"id": "jvasp-115239",
"created_at": "2022-09-04T14:38:45.824062Z",
"updated_at": "2022-09-04T14:38:45.824104Z",
"structure_string": "Mg3 O1\n1.0\n4.247901 0.137842 1.300610\n4.028310 -3.046686 2.070410\n-0.412542 0.206328 -5.527445\nMg O\n3 1\ndirect\n-0.058753 0.153503 0.142152 Mg\n-0.029929 0.474601 0.810166 Mg\n0.947733 0.814661 0.465403 Mg\n0.711435 0.980429 0.806990 O\n",
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"formula_full": "Mg3 O1",
"formula_reduced": "Mg3O",
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"spacegroup": 1
},
{
"id": "jvasp-115240",
"created_at": "2022-09-04T14:38:45.527418Z",
"updated_at": "2022-09-04T14:38:45.527432Z",
"structure_string": "Ti1 Mn1 O4\n1.0\n-1.877932 1.877932 4.699906\n1.877932 -1.877932 4.699906\n1.877932 1.877932 -4.699906\nTi Mn O\n1 1 4\ndirect\n0.749999 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.962156 0.462158 0.499999 O\n0.798460 0.798460 0.000000 O\n0.537841 0.037842 0.499999 O\n0.201540 0.201540 0.000000 O\n",
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"density_atomic": 0.09049870450835733,
"volume": 66.29929160417888,
"volume_molar": 6.654394438810857,
"formula_full": "Ti1 Mn1 O4",
"formula_reduced": "TiMnO4",
"formula_anonymous": "ABC4",
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"spacegroup": 119
},
{
"id": "jvasp-115241",
"created_at": "2022-09-04T14:38:45.463036Z",
"updated_at": "2022-09-04T14:38:45.463065Z",
"structure_string": "Rb2 Mn1 Se2\n1.0\n-1.894133 3.899563 5.133597\n1.894133 -3.899563 5.133597\n1.894133 3.899563 -5.133597\nRb Mn Se\n2 1 2\ndirect\n0.311115 0.811116 0.500000 Rb\n0.688885 0.188886 0.499999 Rb\n0.000000 0.000000 0.000000 Mn\n0.783126 0.500001 0.283125 Se\n0.216875 0.500000 0.716875 Se\n",
"nsites": 5,
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"elements": [
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"volume_molar": 18.2679188381066,
"formula_full": "Rb2 Mn1 Se2",
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"spacegroup": 71
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{
"id": "jvasp-115243",
"created_at": "2022-09-04T14:38:45.634761Z",
"updated_at": "2022-09-04T14:38:45.634789Z",
"structure_string": "Rb2 Mn1 Se1\n1.0\n-0.000000 4.149443 4.149443\n4.149443 -0.000000 4.149443\n4.149443 4.149443 -0.000000\nRb Mn Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Se\n",
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],
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"density": 3.5425222891342614,
"density_atomic": 0.027993718184193703,
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"formula_full": "Rb2 Mn1 Se1",
"formula_reduced": "Rb2MnSe",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-115245",
"created_at": "2022-09-04T14:38:45.646824Z",
"updated_at": "2022-09-04T14:38:45.646841Z",
"structure_string": "Na1 Mo1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nNa Mo O\n1 1 1\ndirect\n0.325851 0.000261 0.000000 Na\n-0.006678 -0.090217 0.000000 Mo\n0.000516 0.299586 0.000000 O\n",
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"elements": [
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"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
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"formula_full": "Na1 Mo1 O1",
"formula_reduced": "NaMoO",
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"spacegroup": 6
},
{
"id": "jvasp-115246",
"created_at": "2022-09-04T14:38:45.841177Z",
"updated_at": "2022-09-04T14:38:45.841206Z",
"structure_string": "Na1 Mo1 O1\n1.0\n2.783668 -0.000000 -0.000000\n0.000000 2.783668 -0.000000\n-0.000000 -0.000000 6.915695\nNa Mo O\n1 1 1\ndirect\n0.000000 0.000000 0.694508 Na\n0.000000 0.000000 0.252531 Mo\n0.000000 0.000000 0.002665 O\n",
"nsites": 3,
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"elements": [
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"volume": 53.58838952039525,
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"formula_full": "Na1 Mo1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-115247",
"created_at": "2022-09-04T14:38:45.862375Z",
"updated_at": "2022-09-04T14:38:45.862397Z",
"structure_string": "Na2 Mo1 O2\n1.0\n-1.431447 2.431920 5.008242\n1.431447 -2.431920 5.008242\n1.431447 2.431920 -5.008242\nNa Mo O\n2 1 2\ndirect\n0.329012 0.829012 0.500000 Na\n0.670987 0.170988 0.499999 Na\n-0.000000 0.500000 0.500000 Mo\n0.146654 0.146654 0.000000 O\n0.853346 0.853346 0.000000 O\n",
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"elements": [
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"density": 4.141184893167886,
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"volume": 69.73805879894509,
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"formula_full": "Na2 Mo1 O2",
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"spacegroup": 71
},
{
"id": "jvasp-11525",
"created_at": "2022-09-04T14:37:11.198967Z",
"updated_at": "2022-09-04T14:37:11.198988Z",
"structure_string": "Re2 Sb2 O12\n1.0\n0.000000 5.119646 0.000254\n7.302315 0.000000 0.000000\n0.000000 -0.001843 -5.347504\nRe Sb O\n2 2 12\ndirect\n0.500000 0.500000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.681269 0.556717 0.706997 O\n0.799531 0.942752 0.186433 O\n0.318732 0.056717 0.293003 O\n0.200470 0.442752 0.813567 O\n0.799531 0.557247 0.186433 O\n0.200470 0.057248 0.813567 O\n0.133565 0.749999 0.526889 O\n0.681269 0.943282 0.706997 O\n0.605732 0.250000 0.978735 O\n0.318732 0.443283 0.293003 O\n0.866436 0.250000 0.473111 O\n0.394269 0.749999 0.021265 O\n",
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},
{
"id": "jvasp-115252",
"created_at": "2022-09-04T14:38:41.914254Z",
"updated_at": "2022-09-04T14:38:41.914277Z",
"structure_string": "Na1 Pt1 O1\n1.0\n4.194506 0.000000 0.000000\n0.000000 4.194506 0.000000\n-0.000000 0.000000 16.042169\nNa Pt O\n1 1 1\ndirect\n0.000000 0.000000 0.275601 Na\n0.000000 0.000000 0.605774 Pt\n0.000000 0.000000 0.152064 O\n",
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},
{
"id": "jvasp-115253",
"created_at": "2022-09-04T14:38:43.829155Z",
"updated_at": "2022-09-04T14:38:43.829191Z",
"structure_string": "Na1 Pt1 O1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nNa Pt O\n1 1 1\ndirect\n0.302617 0.002190 0.000000 Na\n-0.033312 -0.073324 0.000000 Pt\n0.002722 0.289352 0.000000 O\n",
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}
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