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{
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{
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{
"id": "mp-1193129",
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"structure_string": "Lu2 Ni21 B6\n1.0\n-5.307109 -5.307109 -0.000000\n-5.307109 -0.000000 -5.307109\n0.000000 -5.307109 -5.307109\nLu Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 -0.000000 Ni\n0.838342 0.387219 0.387219 Ni\n0.387219 0.838342 0.387219 Ni\n0.387219 0.387219 0.838342 Ni\n0.387219 0.387219 0.387219 Ni\n0.161658 0.612781 0.612781 Ni\n0.612781 0.161658 0.612781 Ni\n0.612781 0.612781 0.161658 Ni\n0.612781 0.612781 0.612781 Ni\n0.662840 -0.000000 0.000000 Ni\n0.662840 -0.000000 0.337160 Ni\n0.662840 0.337160 -0.000000 Ni\n0.000000 0.662840 0.337160 Ni\n-0.000000 0.662840 0.000000 Ni\n0.337160 0.662840 0.000000 Ni\n-0.000000 0.337160 0.662840 Ni\n0.337160 0.000000 0.662840 Ni\n-0.000000 0.000000 0.662840 Ni\n0.337160 0.000000 -0.000000 Ni\n0.000000 0.337160 -0.000000 Ni\n0.000000 -0.000000 0.337160 Ni\n0.727846 0.272154 0.272154 B\n0.727846 0.272154 0.727846 B\n0.727846 0.727846 0.272154 B\n0.272154 0.727846 0.727846 B\n0.272154 0.727846 0.272154 B\n0.272154 0.272154 0.727846 B\n",
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{
"id": "mp-5677",
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"structure_string": "Tb1 Mn2 Si2\n1.0\n-1.952509 1.952509 5.167232\n1.952509 -1.952509 5.167232\n1.952509 1.952509 -5.167232\nTb Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.620789 0.620789 0.000000 Si\n0.379211 0.379211 0.000000 Si\n",
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{
"id": "mp-1185426",
"created_at": "2022-09-04T14:41:54.538896Z",
"structure_string": "Lu3 Si1\n1.0\n4.541419 0.000000 0.000000\n0.000000 4.541419 0.000000\n0.000000 0.000000 4.541419\nLu Si\n3 1\ndirect\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Si\n",
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{
"id": "mp-1191760",
"created_at": "2022-09-04T14:41:46.734882Z",
"structure_string": "Na5 V2 P3 O15\n1.0\n-0.000360 0.000000 5.227197\n-6.360079 0.000000 0.127941\n-3.180040 -10.167437 0.063971\nNa V P O\n5 2 3 15\ndirect\n0.988119 0.912903 0.827680 Na\n0.988119 0.740583 0.172320 Na\n0.019044 0.492744 0.524483 Na\n0.019044 0.017226 0.475517 Na\n0.396554 0.184629 0.000000 Na\n0.500561 0.650548 0.698487 V\n0.500561 0.349035 0.301513 V\n0.503491 0.182557 0.627776 P\n0.503491 0.810333 0.372224 P\n0.463082 0.656821 0.000000 P\n0.893470 0.205471 0.000000 O\n0.793914 0.171910 0.620643 O\n0.793914 0.792554 0.379357 O\n0.814887 0.661946 0.686242 O\n0.814887 0.348188 0.313758 O\n0.404006 0.344971 0.702841 O\n0.404006 0.047812 0.297159 O\n0.374697 0.745236 0.512848 O\n0.374697 0.258084 0.487152 O\n0.389431 0.952675 0.700829 O\n0.389431 0.653504 0.299171 O\n0.399390 0.564859 0.879900 O\n0.399390 0.444760 0.120100 O\n0.278567 0.845363 0.000000 O\n0.742748 0.714689 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:41:53.883502Z",
"structure_string": "Zr1 Au1\n1.0\n3.092836 0.000000 0.000000\n0.000000 3.092836 0.000000\n0.000000 0.000000 4.156837\nZr Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Au\n",
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{
"id": "mp-1208840",
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"structure_string": "Sr2 Ho1 Cu2 Bi2 O8\n1.0\n-1.888970 1.888970 15.309421\n1.888970 -1.888970 15.309421\n1.888970 1.888970 -15.309421\nSr Ho Cu Bi O\n2 1 2 2 8\ndirect\n0.114848 0.114848 0.000000 Sr\n0.885152 0.885152 0.000000 Sr\n0.000000 0.000000 0.000000 Ho\n0.448854 0.448854 0.000000 Cu\n0.551146 0.551146 0.000000 Cu\n0.295495 0.295495 0.000000 Bi\n0.704505 0.704505 0.000000 Bi\n0.548028 0.048028 0.500000 O\n0.451972 0.951972 0.500000 O\n0.048028 0.548028 0.500000 O\n0.951972 0.451972 0.500000 O\n0.199528 0.199528 0.000000 O\n0.800472 0.800472 0.000000 O\n0.365013 0.365013 0.000000 O\n0.634987 0.634987 0.000000 O\n",
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{
"id": "mp-802184",
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"structure_string": "Li4 Mn2 O4 F2\n1.0\n-5.082266 0.000000 0.000000\n1.373501 -4.900621 0.000000\n-0.686750 2.450311 4.575592\nLi Mn O F\n4 2 4 2\ndirect\n0.500000 0.000657 0.998687 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.680118 0.639764 Li\n0.500000 0.321363 0.357273 Li\n0.000000 0.819579 0.360842 Mn\n0.000000 0.180421 0.639158 Mn\n0.234095 0.591654 0.344576 O\n0.765905 0.063770 0.344576 O\n0.765905 0.408346 0.655424 O\n0.234366 0.937574 0.653062 O\n0.248526 0.244592 0.000000 F\n0.751474 0.755408 0.000000 F\n",
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{
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"structure_string": "Li9 Mn7 O16\n1.0\n5.100378 0.000000 0.000000\n-0.194616 6.072809 0.000000\n-1.934352 -2.379700 9.648273\nLi Mn O\n9 7 16\ndirect\n0.489760 0.739561 0.001241 Li\n0.252344 0.370181 0.750213 Li\n0.510240 0.260439 0.998759 Li\n0.243098 0.881221 0.753354 Li\n0.756902 0.118779 0.246646 Li\n0.747656 0.629819 0.249787 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.747785 0.630898 0.755377 Mn\n0.503273 0.249583 0.499618 Mn\n0.249936 0.861728 0.244353 Mn\n0.750064 0.138272 0.755647 Mn\n0.496727 0.750417 0.500382 Mn\n0.252215 0.369102 0.244623 Mn\n0.353787 0.038302 0.119058 O\n0.091810 0.719468 0.881453 O\n0.368739 0.561578 0.136336 O\n0.099689 0.173988 0.874146 O\n0.609349 0.419574 0.374046 O\n0.601932 0.918640 0.371873 O\n0.846625 0.814648 0.629086 O\n0.860422 0.301242 0.624074 O\n0.631261 0.438422 0.863664 O\n0.398068 0.081360 0.628127 O\n0.646213 0.961698 0.880942 O\n0.390651 0.580426 0.625954 O\n0.900311 0.826012 0.125854 O\n0.908190 0.280532 0.118547 O\n0.153375 0.185352 0.370914 O\n0.139578 0.698758 0.375926 O\n",
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{
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{
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"structure_string": "Tm4 Mg8\n1.0\n3.000635 -5.197253 0.000000\n3.000635 5.197253 0.000000\n0.000000 0.000000 9.750442\nTm Mg\n4 8\ndirect\n0.333333 0.666667 0.936422 Tm\n0.666667 0.333333 0.436422 Tm\n0.666667 0.333333 0.063578 Tm\n0.333333 0.666667 0.563578 Tm\n0.828986 0.657972 0.750000 Mg\n0.171014 0.828986 0.250000 Mg\n0.657972 0.828986 0.250000 Mg\n0.342028 0.171014 0.750000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.171014 0.342028 0.250000 Mg\n0.828986 0.171014 0.750000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 4.751331033365462,
"density_atomic": 0.03945844059490873,
"volume": 304.11744151765447,
"volume_molar": 15.26198366991986,
"formula_full": "Tm4 Mg8",
"formula_reduced": "TmMg2",
"formula_anonymous": "AB2",
"energy": -31.27131556,
"energy_per_atom": -2.6059429633333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.27131556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.876000Z",
"spacegroup": 194
}
]
}