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{
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"results": [
{
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{
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{
"id": "mp-1094522",
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"structure_string": "Y4 Mg2\n1.0\n1.756223 -9.128685 0.000000\n1.756223 9.128685 0.000000\n0.000000 0.000000 5.607837\nY Mg\n4 2\ndirect\n0.003326 0.996674 0.500000 Y\n0.330860 0.669140 0.500000 Y\n0.664462 0.335538 0.500000 Y\n0.447534 0.552466 0.000000 Y\n0.111151 0.888849 0.000000 Mg\n0.775999 0.224001 0.000000 Mg\n",
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{
"id": "mp-1094405",
"created_at": "2022-09-04T14:41:21.117838Z",
"structure_string": "Y1 Mg5\n1.0\n5.736704 -2.805657 0.000000\n5.736704 2.805657 0.000000\n4.364538 0.000000 4.661791\nY Mg\n1 5\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.667558 0.332442 Mg\n0.165904 0.165904 0.165904 Mg\n0.332442 0.000000 0.667558 Mg\n0.667558 0.332442 0.000000 Mg\n0.834096 0.834096 0.834096 Mg\n",
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"spacegroup": 155
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{
"id": "mp-1387551",
"created_at": "2022-09-04T14:46:26.045755Z",
"structure_string": "Y4 Mg2\n1.0\n2.618615 -6.402046 0.000000\n2.618615 6.402046 0.000000\n0.000000 0.000000 5.235766\nY Mg\n4 2\ndirect\n0.090324 0.402843 0.750000 Y\n0.402843 0.090324 0.750000 Y\n0.597157 0.909676 0.250000 Y\n0.909676 0.597157 0.250000 Y\n0.740675 0.740675 0.750000 Mg\n0.259325 0.259325 0.250000 Mg\n",
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{
"id": "mp-1094447",
"created_at": "2022-09-04T14:45:31.256657Z",
"structure_string": "Y3 Mg3\n1.0\n1.735384 -8.770341 0.000000\n1.735384 8.770341 0.000000\n0.000000 0.000000 5.493040\nY Mg\n3 3\ndirect\n0.989887 0.010113 0.000000 Y\n0.665822 0.334178 0.000000 Y\n0.788269 0.211731 0.500000 Y\n0.331798 0.668202 0.000000 Mg\n0.108627 0.891373 0.500000 Mg\n0.448931 0.551069 0.500000 Mg\n",
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"density": 3.3729008715470123,
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"volume": 167.20714276589646,
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"updated_at": "2021-11-28T01:37:01.975000Z",
"spacegroup": 38
},
{
"id": "mp-1217184",
"created_at": "2022-09-04T14:45:39.397668Z",
"structure_string": "Y19 Mg97\n1.0\n-5.626640 -5.590796 5.590796\n-5.626640 5.590796 -5.590796\n-0.000000 -22.707728 -22.707728\nY Mg\n19 97\ndirect\n0.122147 0.501129 0.249960 Y\n0.622107 0.001619 0.500000 Y\n0.122147 0.501129 0.750040 Y\n0.624579 0.001139 -0.000000 Y\n0.501129 0.122147 0.249960 Y\n0.001619 0.622107 0.500000 Y\n0.501129 0.122147 0.750040 Y\n0.001139 0.624579 0.000000 Y\n0.688844 0.688844 0.155741 Y\n0.189149 0.189149 0.405639 Y\n0.689721 0.689721 0.655764 Y\n0.187430 0.187430 0.906209 Y\n0.187430 0.187430 0.093791 Y\n0.689721 0.689721 0.344236 Y\n0.189149 0.189149 0.594361 Y\n0.688844 0.688844 0.844259 Y\n0.500433 0.500433 0.249946 Y\n0.000535 0.000535 0.500000 Y\n0.500433 0.500433 0.750054 Y\n0.389861 0.674513 -0.000000 Mg\n0.889466 0.172739 0.250010 Mg\n0.389199 0.672675 0.500000 Mg\n0.889466 0.172739 0.749990 Mg\n0.551023 0.163585 0.081739 Mg\n0.051782 0.663920 0.331900 Mg\n0.551389 0.163984 0.581926 Mg\n0.051863 0.663233 0.831676 Mg\n0.051863 0.663233 0.168324 Mg\n0.551389 0.163984 0.418074 Mg\n0.051782 0.663920 0.668100 Mg\n0.551023 0.163585 0.918261 Mg\n0.674513 0.389861 0.000000 Mg\n0.172739 0.889466 0.250010 Mg\n0.672675 0.389199 0.500000 Mg\n0.172739 0.889466 0.749990 Mg\n0.663233 0.051863 0.168324 Mg\n0.163984 0.551389 0.418074 Mg\n0.663920 0.051782 0.668100 Mg\n0.163585 0.551023 0.918261 Mg\n0.163585 0.551023 0.081739 Mg\n0.663920 0.051782 0.331900 Mg\n0.163984 0.551389 0.581926 Mg\n0.663233 0.051863 0.831676 Mg\n0.970496 0.970496 0.178446 Mg\n0.470138 0.470138 0.428585 Mg\n0.970297 0.970297 0.678746 Mg\n0.468333 0.468333 0.928450 Mg\n0.805194 0.479103 0.097047 Mg\n0.305629 0.978379 0.346943 Mg\n0.805392 0.478313 0.596963 Mg\n0.305440 0.979106 0.846947 Mg\n0.479103 0.805194 0.097047 Mg\n0.978379 0.305629 0.346943 Mg\n0.478313 0.805392 0.596963 Mg\n0.979106 0.305440 0.846947 Mg\n0.468333 0.468333 0.071550 Mg\n0.970297 0.970297 0.321254 Mg\n0.470138 0.470138 0.571415 Mg\n0.970496 0.970496 0.821554 Mg\n0.979106 0.305440 0.153053 Mg\n0.478313 0.805392 0.403037 Mg\n0.978379 0.305629 0.653057 Mg\n0.479103 0.805194 0.902953 Mg\n0.305440 0.979106 0.153053 Mg\n0.805392 0.478313 0.403037 Mg\n0.305629 0.978379 0.653057 Mg\n0.805194 0.479103 0.902953 Mg\n0.999635 0.999635 0.000000 Mg\n0.369425 0.189260 0.000000 Mg\n0.867935 0.688976 0.249952 Mg\n0.368455 0.189174 0.500000 Mg\n0.867935 0.688976 0.750048 Mg\n0.773786 0.405208 0.202595 Mg\n0.273443 0.904931 0.452605 Mg\n0.773383 0.405062 0.702695 Mg\n0.274305 0.904682 0.952588 Mg\n0.274305 0.904682 0.047412 Mg\n0.773383 0.405062 0.297305 Mg\n0.273443 0.904931 0.547395 Mg\n0.773786 0.405208 0.797405 Mg\n0.189260 0.369425 -0.000000 Mg\n0.688976 0.867935 0.249952 Mg\n0.189174 0.368455 0.500000 Mg\n0.688976 0.867935 0.750048 Mg\n0.904682 0.274305 0.047412 Mg\n0.405062 0.773383 0.297305 Mg\n0.904931 0.273443 0.547395 Mg\n0.405208 0.773786 0.797405 Mg\n0.405208 0.773786 0.202595 Mg\n0.904931 0.273443 0.452605 Mg\n0.405062 0.773383 0.702695 Mg\n0.904682 0.274305 0.952588 Mg\n0.719217 0.719217 0.044451 Mg\n0.220383 0.220383 0.294257 Mg\n0.719754 0.719754 0.544423 Mg\n0.219911 0.219911 0.794457 Mg\n0.814727 0.005904 0.092601 Mg\n0.315372 0.505937 0.342205 Mg\n0.815548 0.006087 0.592286 Mg\n0.315568 0.506138 0.842373 Mg\n0.005904 0.814727 0.092601 Mg\n0.505937 0.315372 0.342205 Mg\n0.006087 0.815548 0.592286 Mg\n0.506138 0.315568 0.842373 Mg\n0.219911 0.219911 0.205543 Mg\n0.719754 0.719754 0.455577 Mg\n0.220383 0.220383 0.705743 Mg\n0.719217 0.719217 0.955549 Mg\n0.506138 0.315568 0.157627 Mg\n0.006087 0.815548 0.407714 Mg\n0.505937 0.315372 0.657795 Mg\n0.005904 0.814727 0.907399 Mg\n0.315568 0.506138 0.157627 Mg\n0.815548 0.006087 0.407714 Mg\n0.315372 0.505937 0.657795 Mg\n0.814727 0.005904 0.907399 Mg\n",
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{
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{
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{
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{
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{
"id": "mp-1094389",
"created_at": "2022-09-04T14:43:36.432194Z",
"structure_string": "Y8 Mg4\n1.0\n12.804092 0.000000 0.000000\n0.000000 5.237230 0.000000\n0.000000 0.000000 5.235766\nY Mg\n8 4\ndirect\n0.156260 0.246584 0.750000 Y\n0.343740 0.746584 0.750000 Y\n0.156260 0.753416 0.250000 Y\n0.343740 0.253416 0.250000 Y\n0.656260 0.746584 0.750000 Y\n0.843740 0.246584 0.750000 Y\n0.656260 0.253416 0.250000 Y\n0.843740 0.753416 0.250000 Y\n0.000000 0.740675 0.750000 Mg\n0.000000 0.259325 0.250000 Mg\n0.500000 0.240675 0.750000 Mg\n0.500000 0.759325 0.250000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.82367195871659,
"density_atomic": 0.03417831000122268,
"volume": 351.09986419956743,
"volume_molar": 17.619773358555666,
"formula_full": "Y8 Mg4",
"formula_reduced": "Y2Mg",
"formula_anonymous": "AB2",
"energy": -58.78837012,
"energy_per_atom": -4.899030843333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.78837012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5874093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.180000Z",
"spacegroup": 63
}
]
}