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{
"id": "jvasp-12965",
"created_at": "2022-09-04T14:37:12.037642Z",
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"structure_string": "Mn6 As4\n1.0\n3.364679 -0.000039 0.925135\n1.528059 6.379667 1.023564\n-0.040438 0.064427 6.729845\nMn As\n6 4\ndirect\n0.693791 0.934449 0.677988 Mn\n0.306208 0.065552 0.322012 Mn\n0.604510 0.699890 0.091102 Mn\n0.395490 0.300111 0.908899 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.938501 0.775713 0.347282 As\n0.061498 0.224288 0.652719 As\n0.750348 0.321375 0.177925 As\n0.249651 0.678625 0.822075 As\n",
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{
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"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",
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"spacegroup": 216
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{
"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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],
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"density": 7.864229493605101,
"density_atomic": 0.05019260166596822,
"volume": 59.76976487421395,
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"formula_full": "Mg1 As1 W1",
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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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"density": 4.071911259821957,
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"volume": 61.23905475729808,
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"formula_full": "Mg1 V1 As1",
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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",
"nsites": 4,
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"elements": [
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],
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"density": 7.943891632287467,
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"volume": 61.7122344427459,
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"formula_full": "Mg1 Tc2 As1",
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{
"id": "jvasp-75812",
"created_at": "2022-09-04T14:35:52.611124Z",
"updated_at": "2022-09-04T14:35:52.611153Z",
"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",
"nsites": 3,
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"density": 7.411386282611413,
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{
"id": "jvasp-92476",
"created_at": "2022-09-04T14:36:20.727004Z",
"updated_at": "2022-09-04T14:36:20.727019Z",
"structure_string": "Sr1 Mg2 As2\n1.0\n4.420560 -0.000004 -0.000000\n-2.210284 3.828318 0.000001\n-0.000000 0.000000 7.405538\nSr Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666668 0.333334 0.370909 Mg\n0.333334 0.666668 0.629091 Mg\n0.333336 0.666668 0.260753 As\n0.666668 0.333334 0.739248 As\n",
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"density_atomic": 0.03989590503827953,
"volume": 125.3261455079807,
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"formula_full": "Sr1 Mg2 As2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"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",
"nsites": 5,
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},
{
"id": "jvasp-106192",
"created_at": "2022-09-04T14:35:43.435556Z",
"updated_at": "2022-09-04T14:35:43.435586Z",
"structure_string": "Sr1 Mg2 As2\n1.0\n4.420558 0.000000 0.000000\n-2.210280 3.828315 0.000000\n0.000000 0.000000 7.405534\nSr Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.370909 Mg\n0.333334 0.666668 0.629091 Mg\n0.333334 0.666668 0.260752 As\n0.666667 0.333333 0.739247 As\n",
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{
"id": "jvasp-36303",
"created_at": "2022-09-04T14:37:28.069019Z",
"updated_at": "2022-09-04T14:37:28.069046Z",
"structure_string": "Mg2 Sn2 As4\n1.0\n6.125992 0.000000 0.000000\n0.000000 6.125992 0.000000\n-3.062996 -3.062996 6.030589\nMg Sn As\n2 2 4\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.749999 0.250000 0.500000 Mg\n0.250000 0.749999 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.378606 0.375000 0.250000 As\n0.624999 0.128606 0.750000 As\n0.871393 0.875000 0.250000 As\n0.124999 0.621393 0.750000 As\n",
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{
"id": "jvasp-75649",
"created_at": "2022-09-04T14:36:11.756131Z",
"updated_at": "2022-09-04T14:36:11.756152Z",
"structure_string": "Mg1 Si1 As1\n1.0\n0.000000 3.171899 3.171899\n3.171899 0.000000 3.171899\n3.171899 3.171899 -0.000000\nMg Si As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 As\n",
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