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{
"id": "jvasp-22731",
"created_at": "2022-09-04T14:36:10.458060Z",
"updated_at": "2022-09-04T14:36:10.458088Z",
"structure_string": "Sr1 Mg2 As2\n1.0\n4.420559 -0.000004 -0.000000\n-2.210284 3.828317 0.000001\n-0.000000 0.000000 7.405534\nSr Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.370908 Mg\n0.333334 0.666668 0.629091 Mg\n0.333336 0.666668 0.260752 As\n0.666668 0.333334 0.739247 As\n",
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{
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"created_at": "2022-09-04T14:35:52.611124Z",
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"structure_string": "Mg1 Ta1 As1\n1.0\n-0.000000 3.154395 3.154395\n3.154395 -0.000000 3.154395\n3.154395 3.154395 -0.000000\nMg Ta As\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.500001 As\n",
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{
"id": "jvasp-75756",
"created_at": "2022-09-04T14:35:42.955685Z",
"updated_at": "2022-09-04T14:35:42.955735Z",
"structure_string": "Mg1 Tc2 As1\n1.0\n0.000000 3.136513 3.136513\n3.136513 0.000000 3.136513\n3.136513 3.136513 0.000000\nMg Tc As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n0.500000 0.500000 0.500000 As\n",
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"elements": [
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"Tc",
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"density": 7.943891632287467,
"density_atomic": 0.06481696921395769,
"volume": 61.7122344427459,
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"formula_full": "Mg1 Tc2 As1",
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"spacegroup": 216
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{
"id": "jvasp-75784",
"created_at": "2022-09-04T14:36:07.622894Z",
"updated_at": "2022-09-04T14:36:07.622916Z",
"structure_string": "Mg1 V1 As1\n1.0\n0.000000 3.128476 3.128476\n3.128476 0.000000 3.128476\n3.128476 3.128476 0.000000\nMg V As\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 As\n",
"nsites": 3,
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"elements": [
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"V",
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"chemical_system": "As-Mg-V",
"density": 4.071911259821957,
"density_atomic": 0.04898834594834237,
"volume": 61.23905475729808,
"volume_molar": 12.293006925259888,
"formula_full": "Mg1 V1 As1",
"formula_reduced": "MgVAs",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-75863",
"created_at": "2022-09-04T14:36:13.319068Z",
"updated_at": "2022-09-04T14:36:13.319103Z",
"structure_string": "Mg1 As1 W1\n1.0\n-0.000000 3.103253 3.103253\n3.103253 -0.000000 3.103253\n3.103253 3.103253 -0.000000\nMg As W\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Mg\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
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"elements": [
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"As",
"W"
],
"chemical_system": "As-Mg-W",
"density": 7.864229493605101,
"density_atomic": 0.05019260166596822,
"volume": 59.76976487421395,
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"formula_full": "Mg1 As1 W1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-75632",
"created_at": "2022-09-04T14:36:06.176171Z",
"updated_at": "2022-09-04T14:36:06.176207Z",
"structure_string": "Mg1 Zn1 As1\n1.0\n0.000000 3.148107 3.148107\n3.148107 -0.000000 3.148107\n3.148107 3.148107 -0.000000\nMg Zn As\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
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"elements": [
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"chemical_system": "As-Mg-Zn",
"density": 4.381213300714109,
"density_atomic": 0.04807760266722827,
"volume": 62.399117958619165,
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-28367",
"created_at": "2022-09-04T14:36:03.256494Z",
"updated_at": "2022-09-04T14:36:03.256512Z",
"structure_string": "Mg2 Zn1 As2\n1.0\n4.322851 -0.197042 0.680543\n-2.332069 4.039262 0.000000\n0.982675 0.567348 7.195650\nMg Zn As\n2 1 2\ndirect\n0.667726 0.333864 0.343772 Mg\n0.332273 0.666137 0.656228 Mg\n0.000000 0.000000 0.000000 Zn\n0.582811 0.291406 0.735581 As\n0.417188 0.708595 0.264419 As\n",
"nsites": 5,
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"Zn",
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],
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"density": 3.6901498619416597,
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"volume": 118.73596132718515,
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"formula_full": "Mg2 Zn1 As2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2435761599999998,
"spacegroup": 12
},
{
"id": "jvasp-85417",
"created_at": "2022-09-04T14:36:07.413209Z",
"updated_at": "2022-09-04T14:36:07.413229Z",
"structure_string": "Mn4 As2\n1.0\n3.608248 -0.000001 0.000000\n0.000000 3.608253 0.000002\n0.000001 0.000001 6.330748\nMn As\n4 2\ndirect\n0.250000 0.250000 0.352086 Mn\n0.249999 0.750000 -0.000002 Mn\n0.750001 0.249999 -0.000002 Mn\n0.749999 0.749999 0.647915 Mn\n0.250000 0.250000 0.737467 As\n0.750000 0.749999 0.262535 As\n",
"nsites": 6,
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"elements": [
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"volume": 82.42299424061201,
"volume_molar": 8.272714552960583,
"formula_full": "Mn4 As2",
"formula_reduced": "Mn2As",
"formula_anonymous": "AB2",
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"spacegroup": 129
},
{
"id": "jvasp-15007",
"created_at": "2022-09-04T14:35:47.160034Z",
"updated_at": "2022-09-04T14:35:47.160060Z",
"structure_string": "Mn6 As2\n1.0\n3.461756 0.000000 -0.804980\n-0.000000 3.560715 -0.000000\n0.001445 -0.000000 7.852209\nMn As\n6 2\ndirect\n0.947239 0.250000 0.894477 Mn\n0.052761 0.749999 0.105523 Mn\n0.550758 0.250000 0.101516 Mn\n0.449241 0.749999 0.898484 Mn\n0.314937 0.250000 0.629874 Mn\n0.685063 0.749999 0.370126 Mn\n0.162606 0.250000 0.325214 As\n0.837394 0.749999 0.674786 As\n",
"nsites": 8,
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"elements": [
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"density": 8.225603392089402,
"density_atomic": 0.08265057602733165,
"volume": 96.79303381206304,
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"formula_full": "Mn6 As2",
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"spacegroup": 63
},
{
"id": "jvasp-18184",
"created_at": "2022-09-04T14:37:32.242798Z",
"updated_at": "2022-09-04T14:37:32.242819Z",
"structure_string": "Mn4 As4\n1.0\n3.439620 0.000000 0.000000\n0.000000 5.576962 0.000000\n0.000000 0.000000 6.030856\nMn As\n4 4\ndirect\n0.750000 0.996847 0.191139 Mn\n0.250000 0.003153 0.808861 Mn\n0.750000 0.496847 0.308861 Mn\n0.250000 0.503152 0.691140 Mn\n0.750000 0.799952 0.582708 As\n0.250000 0.200048 0.417293 As\n0.750000 0.299952 0.917293 As\n0.250000 0.700048 0.082707 As\n",
"nsites": 8,
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"density_atomic": 0.06915170257364746,
"volume": 115.68767943898267,
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"formula_full": "Mn4 As4",
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"spacegroup": 62
},
{
"id": "jvasp-93353",
"created_at": "2022-09-04T14:36:18.678501Z",
"updated_at": "2022-09-04T14:36:18.678531Z",
"structure_string": "Mn4 As2\n1.0\n3.577746 0.000000 -0.000000\n-0.000000 3.577746 -0.000000\n0.000000 -0.000000 5.873075\nMn As\n4 2\ndirect\n0.750001 0.250000 0.000000 Mn\n0.250000 0.750001 0.000000 Mn\n0.750001 0.750001 0.311582 Mn\n0.250000 0.250000 0.688417 Mn\n0.750001 0.750001 0.716323 As\n0.250000 0.250000 0.283676 As\n",
"nsites": 6,
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},
{
"id": "jvasp-14073",
"created_at": "2022-09-04T14:35:54.184368Z",
"updated_at": "2022-09-04T14:35:54.184391Z",
"structure_string": "Mn10 As8\n1.0\n3.535276 -0.000000 0.000000\n-1.767637 6.500089 -0.000000\n-0.000000 -0.000000 11.829403\nMn As\n10 8\ndirect\n0.021499 0.042998 0.290157 Mn\n0.216530 0.433061 0.178881 Mn\n0.555216 0.110432 0.125017 Mn\n0.444784 0.889568 0.625017 Mn\n0.633891 0.267782 0.517763 Mn\n0.783470 0.566940 0.678881 Mn\n0.831327 0.662651 0.374064 Mn\n0.168674 0.337349 0.874064 Mn\n0.978501 0.957002 0.790157 Mn\n0.366109 0.732218 0.017763 Mn\n0.604766 0.209529 0.734633 As\n0.004278 0.008555 0.995882 As\n0.995723 0.991445 0.495882 As\n0.273104 0.546209 0.526031 As\n0.726896 0.453791 0.026031 As\n0.346832 0.693666 0.806669 As\n0.653168 0.306334 0.306669 As\n0.395235 0.790471 0.234633 As\n",
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