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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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{
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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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"density": 7.943891632287467,
"density_atomic": 0.06481696921395769,
"volume": 61.7122344427459,
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"formula_full": "Mg1 Tc2 As1",
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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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"density": 4.071911259821957,
"density_atomic": 0.04898834594834237,
"volume": 61.23905475729808,
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"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"
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"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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"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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"elements": [
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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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"spacegroup": 12
},
{
"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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],
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"density": 4.381213300714109,
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"volume": 62.399117958619165,
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"formula_full": "Mg1 Zn1 As1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"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,
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"formula_full": "Mn4 As2",
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"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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"formula_full": "Mn4 As4",
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"formula_anonymous": "AB",
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"spacegroup": 62
},
{
"id": "jvasp-58422",
"created_at": "2022-09-04T14:37:00.229576Z",
"updated_at": "2022-09-04T14:37:00.229597Z",
"structure_string": "Mn8 As6\n1.0\n3.531685 0.000000 0.000000\n-1.765843 6.333049 -1.450083\n0.000000 -0.141695 9.374795\nMn As\n8 6\ndirect\n0.218121 0.436241 0.165179 Mn\n0.781881 0.563759 0.834822 Mn\n0.344050 0.688097 0.550587 Mn\n0.655952 0.311902 0.449414 Mn\n0.432323 0.864642 0.288561 Mn\n0.567679 0.135358 0.711440 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.062869 0.125736 0.272991 As\n0.937133 0.874263 0.727009 As\n0.186837 0.373673 0.652950 As\n0.813165 0.626326 0.347050 As\n0.362879 0.725756 0.020965 As\n0.637123 0.274244 0.979036 As\n",
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"formula_full": "Mn8 As6",
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"formula_anonymous": "A3B4",
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"spacegroup": 12
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{
"id": "jvasp-12965",
"created_at": "2022-09-04T14:37:12.037642Z",
"updated_at": "2022-09-04T14:37:12.037666Z",
"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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