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{
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{
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{
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{
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"structure_string": "Sr4 Cu2 Si4 O14\n1.0\n8.206475 0.000000 0.000000\n0.000000 8.206475 0.000000\n0.000000 0.000000 5.111436\nSr Cu Si O\n4 2 4 14\ndirect\n0.666534 0.166534 0.991154 Sr\n0.833466 0.666534 0.008846 Sr\n0.166534 0.333466 0.008846 Sr\n0.333466 0.833466 0.991154 Sr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.863777 0.363777 0.536529 Si\n0.636223 0.863777 0.463471 Si\n0.363777 0.136223 0.463471 Si\n0.136223 0.636223 0.536529 Si\n0.693260 0.418522 0.679605 O\n0.306740 0.581478 0.679605 O\n0.418522 0.306740 0.320395 O\n0.581478 0.693260 0.320395 O\n0.918522 0.193260 0.679605 O\n0.806740 0.918522 0.320395 O\n0.193260 0.081478 0.320395 O\n0.081478 0.806740 0.679605 O\n0.864999 0.364999 0.220503 O\n0.635001 0.864999 0.779497 O\n0.000000 0.500000 0.652542 O\n0.500000 0.000000 0.347458 O\n0.135001 0.635001 0.220503 O\n0.364999 0.135001 0.779497 O\n",
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{
"id": "mp-1173278",
"created_at": "2022-09-04T14:45:27.140927Z",
"structure_string": "Sr2 La14 Mg4 Fe12 O45\n1.0\n5.672874 0.000939 0.004951\n0.000982 5.606939 0.003612\n0.020566 0.035810 31.641900\nSr La Mg Fe O\n2 14 4 12 45\ndirect\n0.026506 0.016146 0.189389 Sr\n0.025818 0.017165 0.438458 Sr\n0.035022 0.011232 0.686213 La\n0.034965 0.009636 0.937968 La\n0.470885 0.509821 0.061987 La\n0.460127 0.509750 0.812321 La\n0.474271 0.507802 0.311631 La\n0.469481 0.513963 0.562349 La\n0.531707 0.488906 0.440172 La\n0.534093 0.491988 0.190701 La\n0.535772 0.487872 0.686234 La\n0.536252 0.489309 0.938009 La\n0.957337 0.983321 0.310761 La\n0.958227 0.980011 0.061610 La\n0.959620 0.991141 0.812252 La\n0.956915 0.978180 0.561769 La\n0.004352 0.505494 0.994420 Mg\n0.003664 0.507657 0.245624 Mg\n0.004189 0.507468 0.630715 Mg\n0.002836 0.506445 0.495405 Mg\n0.498563 0.997685 0.001621 Fe\n0.498561 0.002804 0.124463 Fe\n0.496755 0.000866 0.251497 Fe\n0.497564 0.000026 0.373995 Fe\n0.498560 0.999079 0.749700 Fe\n0.499268 0.998582 0.623387 Fe\n0.499199 0.002285 0.501408 Fe\n0.498657 0.999667 0.875120 Fe\n0.000987 0.506791 0.129817 Fe\n0.001369 0.507762 0.379556 Fe\n0.997531 0.502327 0.750202 Fe\n0.997900 0.502061 0.874792 Fe\n0.019194 0.416073 0.812850 O\n0.215761 0.772502 0.014783 O\n0.217376 0.764190 0.109692 O\n0.221085 0.772749 0.263515 O\n0.215918 0.764812 0.358808 O\n0.219713 0.771499 0.515261 O\n0.210433 0.793368 0.863909 O\n0.215875 0.775259 0.610755 O\n0.211269 0.790056 0.762104 O\n0.284757 0.291412 0.131323 O\n0.286796 0.292709 0.381338 O\n0.287812 0.289397 0.244231 O\n0.287325 0.284872 0.632987 O\n0.288937 0.289867 0.887469 O\n0.290957 0.289631 0.492837 O\n0.290792 0.290193 0.738122 O\n0.288358 0.284877 0.993557 O\n0.491869 0.922022 0.186705 O\n0.490277 0.916323 0.436334 O\n0.478942 0.913217 0.686400 O\n0.476428 0.913453 0.939302 O\n0.516412 0.076703 0.063156 O\n0.512723 0.075884 0.313129 O\n0.523251 0.087822 0.812695 O\n0.519530 0.085378 0.562909 O\n0.723689 0.716573 0.263313 O\n0.724162 0.708913 0.014573 O\n0.729747 0.712075 0.109621 O\n0.730945 0.712780 0.358714 O\n0.707274 0.711619 0.762310 O\n0.721947 0.713629 0.514309 O\n0.724082 0.708905 0.610157 O\n0.706580 0.710145 0.863862 O\n0.790056 0.223165 0.128898 O\n0.781206 0.224337 0.246235 O\n0.791764 0.223394 0.377846 O\n0.785023 0.218577 0.495074 O\n0.794160 0.209207 0.632760 O\n0.789758 0.208679 0.738158 O\n0.786789 0.208317 0.887630 O\n0.794373 0.207707 0.993516 O\n0.962798 0.577397 0.186390 O\n0.971963 0.592528 0.690179 O\n0.974245 0.589848 0.935042 O\n0.964797 0.579196 0.436191 O\n",
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"formula_full": "Sr2 La14 Mg4 Fe12 O45",
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:37:03.760000Z",
"spacegroup": 63
},
{
"id": "mp-1184293",
"created_at": "2022-09-04T14:45:27.141144Z",
"structure_string": "Eu1 Tl1 Au2\n1.0\n0.000000 3.710362 3.710362\n3.710362 0.000000 3.710362\n3.710362 3.710362 0.000000\nEu Tl Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Au"
],
"chemical_system": "Au-Eu-Tl",
"density": 12.195338932590992,
"density_atomic": 0.03915445157499954,
"volume": 102.15952054233432,
"volume_molar": 15.38047531700122,
"formula_full": "Eu1 Tl1 Au2",
"formula_reduced": "EuTlAu2",
"formula_anonymous": "ABC2",
"energy": -21.22470064,
"energy_per_atom": -5.30617516,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.22470064,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.007738,
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"updated_at": "2021-11-28T01:37:01.826000Z",
"spacegroup": 225
},
{
"id": "mp-1227160",
"created_at": "2022-09-04T14:45:29.436506Z",
"structure_string": "Ca2 Tm2 Mn4 O12\n1.0\n5.310593 0.000000 0.000000\n0.000000 5.542423 0.000000\n0.000000 0.000000 7.566012\nCa Tm Mn O\n2 2 4 12\ndirect\n0.236970 0.446505 0.500000 Ca\n0.763030 0.946505 0.500000 Ca\n0.265429 0.569352 0.000000 Tm\n0.734571 0.069352 0.000000 Tm\n0.753678 0.502302 0.749076 Mn\n0.246322 0.002302 0.250924 Mn\n0.753678 0.502302 0.250924 Mn\n0.246322 0.002302 0.749076 Mn\n0.144288 0.966163 0.000000 O\n0.855712 0.466163 0.000000 O\n0.335945 0.029220 0.500000 O\n0.664055 0.529220 0.500000 O\n0.545611 0.796974 0.811906 O\n0.454389 0.296974 0.188094 O\n0.941596 0.195105 0.285397 O\n0.058404 0.695105 0.714603 O\n0.941596 0.195105 0.714603 O\n0.058404 0.695105 0.285397 O\n0.545611 0.796974 0.188094 O\n0.454389 0.296974 0.811906 O\n",
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"nelements": 4,
"elements": [
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"Tm",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Tm",
"density": 6.187237682898189,
"density_atomic": 0.08980908733165031,
"volume": 222.69461358785733,
"volume_molar": 6.7054915475994274,
"formula_full": "Ca2 Tm2 Mn4 O12",
"formula_reduced": "CaTmMn2O6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:37:11.155000Z",
"spacegroup": 26
}
]
}