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{
"id": "jvasp-92179",
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"updated_at": "2022-09-04T14:36:00.366091Z",
"structure_string": "Sr2 Mg6\n1.0\n5.425181 0.000000 0.000000\n0.000000 5.425181 -0.000000\n0.000000 0.000000 7.667684\nSr Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
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{
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{
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"structure_string": "Sr2 Mg4\n1.0\n5.524949 -0.000000 3.189831\n1.841650 5.208972 3.189831\n-0.000000 -0.000000 6.379662\nSr Mg\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Sr\n0.625000 0.625000 0.125000 Mg\n0.625000 0.125000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n",
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"formula_full": "Sr2 Mg4",
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{
"id": "jvasp-94372",
"created_at": "2022-09-04T14:36:31.013445Z",
"updated_at": "2022-09-04T14:36:31.013467Z",
"structure_string": "Sr2 Mg4\n1.0\n3.829774 -0.000000 -0.000000\n-1.914887 3.316682 -0.000000\n-0.000000 0.000000 16.025113\nSr Mg\n2 4\ndirect\n0.666666 0.333333 0.180277 Sr\n0.666666 0.333333 0.819723 Sr\n0.666666 0.333333 0.500000 Mg\n0.000000 0.000000 0.358303 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.641696 Mg\n",
"nsites": 6,
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"density": 2.222663762077722,
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"volume": 203.55326874223607,
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"formula_full": "Sr2 Mg4",
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"spacegroup": 187
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{
"id": "jvasp-94395",
"created_at": "2022-09-04T14:35:52.414348Z",
"updated_at": "2022-09-04T14:35:52.414368Z",
"structure_string": "Sr2 Mg4\n1.0\n3.813370 0.000000 0.000000\n-1.906684 3.302475 -0.000000\n-0.000000 -0.000000 16.122612\nSr Mg\n2 4\ndirect\n0.666668 0.333333 0.750000 Sr\n0.333334 0.666668 0.250000 Sr\n0.333334 0.666668 0.928363 Mg\n0.333334 0.666668 0.571637 Mg\n0.666668 0.333333 0.428363 Mg\n0.666668 0.333333 0.071637 Mg\n",
"nsites": 6,
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},
{
"id": "jvasp-94363",
"created_at": "2022-09-04T14:36:10.168375Z",
"updated_at": "2022-09-04T14:36:10.168412Z",
"structure_string": "Sr2 Mg4\n1.0\n3.809970 0.000000 -0.000000\n-1.904985 3.299531 0.000000\n-0.000000 0.000000 16.047557\nSr Mg\n2 4\ndirect\n0.333332 0.666667 0.611000 Sr\n0.666667 0.333333 0.389000 Sr\n0.333332 0.666667 0.929956 Mg\n0.666667 0.333333 0.787848 Mg\n0.333332 0.666667 0.212152 Mg\n0.666667 0.333333 0.070044 Mg\n",
"nsites": 6,
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"elements": [
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{
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"created_at": "2022-09-04T14:38:26.868011Z",
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"structure_string": "Sr2 Mg3 In5\n1.0\n4.681353 -0.000000 0.000000\n0.000000 4.681353 0.000000\n0.000000 0.000000 12.797767\nSr Mg In\n2 3 5\ndirect\n0.500000 0.000000 0.750193 Sr\n-0.000000 0.500000 0.249807 Sr\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.142004 In\n-0.000000 0.500000 0.635875 In\n-0.000000 0.500000 0.857996 In\n0.500000 0.000000 0.364125 In\n0.500000 0.500000 -0.000000 In\n",
"nsites": 10,
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"elements": [
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"density": 4.868255448248284,
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"volume": 280.4639073136168,
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"formula_full": "Sr2 Mg3 In5",
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"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.0,
"spacegroup": 115
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{
"id": "jvasp-51714",
"created_at": "2022-09-04T14:38:11.329830Z",
"updated_at": "2022-09-04T14:38:11.329859Z",
"structure_string": "Sr2 Mg2 H8\n1.0\n1.978888 6.755274 0.000000\n-1.978888 6.755274 0.000000\n0.000000 0.000000 5.572105\nSr Mg H\n2 2 8\ndirect\n0.848764 0.848764 0.753276 Sr\n0.151235 0.151235 0.253275 Sr\n0.585079 0.585079 0.709302 Mg\n0.414921 0.414921 0.209302 Mg\n0.666685 0.666685 0.985442 H\n0.333315 0.333315 0.485442 H\n0.700739 0.700739 0.506163 H\n0.299261 0.299261 0.006162 H\n0.924846 0.924846 0.179975 H\n0.075154 0.075154 0.679976 H\n0.461628 0.461628 0.866845 H\n0.538371 0.538371 0.366845 H\n",
"nsites": 12,
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"elements": [
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"H"
],
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"density": 2.585006823698295,
"density_atomic": 0.08055041360202553,
"volume": 148.97502648823453,
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"formula_full": "Sr2 Mg2 H8",
"formula_reduced": "SrMgH4",
"formula_anonymous": "ABC4",
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"spacegroup": 36
},
{
"id": "jvasp-80484",
"created_at": "2022-09-04T14:37:18.397526Z",
"updated_at": "2022-09-04T14:37:18.397550Z",
"structure_string": "Sr2 Mg2\n1.0\n5.949637 -0.000000 0.000000\n-2.974818 5.152536 -0.000000\n-0.000000 0.000000 7.004547\nSr Mg\n2 2\ndirect\n0.333333 0.666667 0.562516 Sr\n0.666667 0.333333 0.062515 Sr\n0.333333 0.666667 0.062485 Mg\n0.666667 0.333333 0.562485 Mg\n",
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"spacegroup": 194
},
{
"id": "jvasp-80518",
"created_at": "2022-09-04T14:37:14.163875Z",
"updated_at": "2022-09-04T14:37:14.163904Z",
"structure_string": "Sr2 Mg2\n1.0\n5.881884 0.000000 -0.000000\n0.000000 4.145814 0.000000\n0.000000 0.000000 5.883798\nSr Mg\n2 2\ndirect\n0.250000 0.500000 0.250055 Sr\n0.749999 0.500000 0.749945 Sr\n0.749999 0.000000 0.249902 Mg\n0.250000 0.000000 0.750099 Mg\n",
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},
{
"id": "jvasp-105254",
"created_at": "2022-09-04T14:36:57.061915Z",
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"structure_string": "Sr2 Mg1 Tl1\n1.0\n4.999195 -0.000000 2.886287\n1.666398 4.713286 2.886287\n-0.000000 -0.000000 5.772573\nSr Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750001 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-21719",
"created_at": "2022-09-04T14:38:34.004320Z",
"updated_at": "2022-09-04T14:38:34.004344Z",
"structure_string": "Sr2 Mg1 Re1 O6\n1.0\n4.867145 -0.000000 -2.799408\n-1.610119 4.593106 -2.799408\n-0.009283 -0.013091 5.614655\nSr Mg Re O\n2 1 1 6\ndirect\n0.250001 0.750001 0.500001 Sr\n0.750001 0.250000 0.500001 Sr\n0.500001 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Re\n0.756609 0.756609 0.000000 O\n0.243392 0.756609 0.000000 O\n0.756609 0.243392 0.000000 O\n0.243392 0.243392 0.000000 O\n0.243398 0.243398 0.486796 O\n0.756604 0.756603 0.513206 O\n",
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