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"id": "jvasp-41570",
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"structure_string": "Tm2 Mg1 Tc1\n1.0\n0.000000 3.497231 3.497231\n3.497231 0.000000 3.497231\n3.497231 3.497231 0.000000\nTm Mg Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Tc\n",
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{
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"structure_string": "Mg4 Te8\n1.0\n7.081548 -0.000000 -0.000000\n0.000000 7.081548 -0.000000\n-0.000000 -0.000000 7.081548\nMg Te\n4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.385802 0.385802 0.385802 Te\n0.114198 0.614198 0.885802 Te\n0.885802 0.114198 0.614198 Te\n0.614198 0.885802 0.114198 Te\n0.614198 0.614198 0.614198 Te\n0.885802 0.385802 0.114198 Te\n0.114198 0.885802 0.385802 Te\n0.385802 0.114198 0.885802 Te\n",
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{
"id": "jvasp-36238",
"created_at": "2022-09-04T14:37:18.598297Z",
"updated_at": "2022-09-04T14:37:18.598322Z",
"structure_string": "Mg1 Te1\n1.0\n2.976273 2.976273 0.000000\n2.976273 0.000000 -2.976273\n-0.000000 2.976273 -2.976273\nMg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Te\n",
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{
"id": "jvasp-7762",
"created_at": "2022-09-04T14:37:16.851847Z",
"updated_at": "2022-09-04T14:37:16.851865Z",
"structure_string": "Mg1 Te1\n1.0\n3.958619 0.000000 2.285509\n1.319539 3.732221 2.285509\n0.000000 0.000000 4.571019\nMg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
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"formula_full": "Mg1 Te1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-1273",
"created_at": "2022-09-04T14:37:01.858602Z",
"updated_at": "2022-09-04T14:37:01.858630Z",
"structure_string": "Mg2 Te2\n1.0\n2.286805 -3.960864 0.000000\n2.286805 3.960864 0.000000\n0.000000 0.000000 7.468426\nMg Te\n2 2\ndirect\n0.333334 0.666668 0.002769 Mg\n0.666668 0.333334 0.502770 Mg\n0.333334 0.666668 0.627231 Te\n0.666668 0.333334 0.127231 Te\n",
"nsites": 4,
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"elements": [
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"spacegroup": 186
},
{
"id": "jvasp-36648",
"created_at": "2022-09-04T14:37:28.773567Z",
"updated_at": "2022-09-04T14:37:28.773582Z",
"structure_string": "Mg2 Te2\n1.0\n2.105292 -3.646473 -0.000000\n2.105292 3.646473 0.000000\n-0.000000 0.000000 6.873934\nMg Te\n2 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666666 0.750000 Te\n0.666666 0.333333 0.250000 Te\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-114357",
"created_at": "2022-09-04T14:38:40.977475Z",
"updated_at": "2022-09-04T14:38:40.977508Z",
"structure_string": "Mg2 Te2\n1.0\n6.736805 -0.592011 -2.101762\n-0.598689 -4.908530 -0.431833\n2.630614 0.127516 -4.618500\nMg Te\n2 2\ndirect\n0.399431 0.067934 0.656635 Mg\n0.899307 0.567853 0.656766 Mg\n0.407960 0.566193 0.404804 Te\n0.908048 0.066131 0.404707 Te\n",
"nsites": 4,
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"volume": 128.425659193552,
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"formula_full": "Mg2 Te2",
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"spacegroup": 8
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{
"id": "jvasp-19815",
"created_at": "2022-09-04T14:37:00.524440Z",
"updated_at": "2022-09-04T14:37:00.524460Z",
"structure_string": "Th2 Mg4\n1.0\n5.240519 0.000000 3.025615\n1.746840 4.940808 3.025615\n0.000000 0.000000 6.051229\nTh Mg\n2 4\ndirect\n0.875000 0.875000 0.875001 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n",
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"formula_full": "Th2 Mg4",
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"spacegroup": 227
},
{
"id": "jvasp-111298",
"created_at": "2022-09-04T14:38:49.334325Z",
"updated_at": "2022-09-04T14:38:49.334349Z",
"structure_string": "Th3 Mg1\n1.0\n4.502235 -0.015562 -4.141312\n-0.877531 4.415914 -4.141312\n0.012819 0.015562 6.117223\nTh Mg\n3 1\ndirect\n0.500000 0.500000 -0.000000 Th\n0.749999 0.250000 0.500000 Th\n0.250000 0.749999 0.500000 Th\n0.000000 0.000000 0.000000 Mg\n",
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},
{
"id": "jvasp-37343",
"created_at": "2022-09-04T14:38:00.843468Z",
"updated_at": "2022-09-04T14:38:00.843489Z",
"structure_string": "Th3 Mg1\n1.0\n4.991052 0.000000 -0.000000\n-0.000000 4.991052 0.000000\n0.000000 0.000000 4.991052\nTh Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Th\n0.500000 0.000000 0.500000 Th\n0.000000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Mg\n",
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},
{
"id": "jvasp-38755",
"created_at": "2022-09-04T14:38:02.071775Z",
"updated_at": "2022-09-04T14:38:02.071793Z",
"structure_string": "Th1 Mg1 Zn2\n1.0\n-0.000000 3.510564 3.510564\n3.510564 0.000000 3.510564\n3.510564 3.510564 0.000000\nTh Mg Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Th\n0.250002 0.250002 0.250002 Mg\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n",
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{
"id": "jvasp-94378",
"created_at": "2022-09-04T14:35:43.925609Z",
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"structure_string": "Mg2 Ti4\n1.0\n5.112906 -0.000000 -0.000000\n-2.556453 4.427907 0.000000\n-0.000000 -0.000000 4.872055\nMg Ti\n2 4\ndirect\n0.666668 0.333333 0.000000 Mg\n0.333334 0.666667 0.000000 Mg\n0.000000 0.316055 0.500000 Ti\n0.683947 0.683946 0.500000 Ti\n0.316055 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n",
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}