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"results": [
{
"id": "mp-1517075",
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"structure_string": "Sr1 Eu1 Ti1 Sn1 O6\n1.0\n-0.000000 -4.018580 -4.018580\n4.018580 -0.000000 -4.018580\n4.018580 -4.018580 -0.000000\nSr Eu Ti Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n0.000000 -0.000000 -0.000000 Sn\n0.744553 0.255447 0.255447 O\n0.255447 0.744553 0.744553 O\n0.744553 0.255447 0.744553 O\n0.255447 0.744553 0.255447 O\n0.744553 0.744553 0.255447 O\n0.255447 0.255447 0.744553 O\n",
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"formula_full": "Sr1 Eu1 Ti1 Sn1 O6",
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},
{
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"created_at": "2022-09-04T14:41:05.406024Z",
"structure_string": "Li8 Sn4 B8 O24\n1.0\n6.507451 0.000000 0.000000\n0.000000 8.154519 0.000000\n0.000000 4.330324 8.950303\nLi Sn B O\n8 4 8 24\ndirect\n0.993353 0.593569 0.506672 Li\n0.497897 0.429569 0.983454 Li\n0.476527 0.805583 0.453456 Li\n0.523473 0.805583 0.953456 Li\n0.169510 0.270018 0.145510 Li\n0.006647 0.593569 0.006672 Li\n0.830490 0.270018 0.645510 Li\n0.502103 0.429569 0.483454 Li\n0.203537 0.822714 0.171837 Sn\n0.796463 0.822714 0.671837 Sn\n0.709606 0.191479 0.307995 Sn\n0.290394 0.191479 0.807995 Sn\n0.091279 0.469006 0.807872 B\n0.605790 0.535108 0.698275 B\n0.575083 0.071328 0.120934 B\n0.081177 0.927039 0.389439 B\n0.424917 0.071328 0.620934 B\n0.918823 0.927039 0.889439 B\n0.908721 0.469006 0.307872 B\n0.394210 0.535108 0.198275 B\n0.546545 0.365573 0.712453 O\n0.054616 0.392503 0.707662 O\n0.223146 0.359414 0.925317 O\n0.712929 0.648663 0.567322 O\n0.578405 0.613539 0.794847 O\n0.447058 0.005865 0.040595 O\n0.192258 0.777148 0.466757 O\n0.019573 0.631308 0.796823 O\n0.571385 0.981677 0.276138 O\n0.097346 0.017232 0.233013 O\n0.686259 0.227623 0.064177 O\n0.931907 0.995471 0.454035 O\n0.552942 0.005865 0.540595 O\n0.807742 0.777148 0.966757 O\n0.428615 0.981677 0.776138 O\n0.902654 0.017232 0.733013 O\n0.453455 0.365573 0.212453 O\n0.313741 0.227623 0.564177 O\n0.068093 0.995471 0.954035 O\n0.945384 0.392503 0.207662 O\n0.776854 0.359414 0.425317 O\n0.287071 0.648663 0.067322 O\n0.421595 0.613539 0.294847 O\n0.980427 0.631308 0.296823 O\n",
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"spacegroup": 7
},
{
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},
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"structure_string": "K8 Ru4 N20 O40\n1.0\n12.698836 0.000000 0.000000\n0.000000 7.200912 0.000000\n0.000000 0.655236 12.754859\nK Ru N O\n8 4 20 40\ndirect\n0.638478 0.273147 0.280472 K\n0.138478 0.726853 0.219528 K\n0.361522 0.726853 0.719528 K\n0.861522 0.273147 0.780472 K\n0.964120 0.243421 0.374993 K\n0.464120 0.756579 0.125007 K\n0.035880 0.756579 0.625007 K\n0.535880 0.243421 0.874993 K\n0.287887 0.255125 0.399928 Ru\n0.787887 0.744875 0.100072 Ru\n0.712113 0.744875 0.600072 Ru\n0.212113 0.255125 0.899928 Ru\n0.402577 0.212379 0.485984 N\n0.902577 0.787621 0.014016 N\n0.597423 0.787621 0.514016 N\n0.097423 0.212379 0.985984 N\n0.357482 0.097574 0.279670 N\n0.857482 0.902426 0.220330 N\n0.642518 0.902426 0.720330 N\n0.142518 0.097574 0.779670 N\n0.210720 0.407200 0.520271 N\n0.710720 0.592800 0.979729 N\n0.789280 0.592800 0.479729 N\n0.289280 0.407200 0.020271 N\n0.212409 0.004037 0.457741 N\n0.712409 0.995963 0.042259 N\n0.787591 0.995963 0.542259 N\n0.287591 0.004037 0.957741 N\n0.368631 0.501033 0.337718 N\n0.868631 0.498967 0.162282 N\n0.631369 0.498967 0.662282 N\n0.131369 0.501033 0.837718 N\n0.178257 0.324087 0.316856 O\n0.678257 0.675913 0.183144 O\n0.821743 0.675913 0.683144 O\n0.321743 0.324087 0.816856 O\n0.454470 0.069028 0.277761 O\n0.954470 0.930972 0.222239 O\n0.545530 0.930972 0.722239 O\n0.045530 0.069028 0.777761 O\n0.298933 0.030991 0.213079 O\n0.798933 0.969009 0.286921 O\n0.701067 0.969009 0.786921 O\n0.201067 0.030991 0.713079 O\n0.465563 0.491291 0.319049 O\n0.965563 0.508709 0.180951 O\n0.534437 0.508709 0.680951 O\n0.034437 0.491291 0.819049 O\n0.320745 0.649749 0.317410 O\n0.820745 0.350251 0.182590 O\n0.679255 0.350251 0.682590 O\n0.179255 0.649749 0.817410 O\n0.263500 0.473832 0.591092 O\n0.763500 0.526168 0.908908 O\n0.736500 0.526168 0.408908 O\n0.236500 0.473832 0.091092 O\n0.112809 0.427475 0.516592 O\n0.612809 0.572525 0.983408 O\n0.887191 0.572525 0.483408 O\n0.387191 0.427475 0.016592 O\n0.264110 0.890995 0.513957 O\n0.764110 0.109005 0.986043 O\n0.735890 0.109005 0.486043 O\n0.235890 0.890995 0.013957 O\n0.118334 0.969867 0.435141 O\n0.618334 0.030133 0.064859 O\n0.881666 0.030133 0.564859 O\n0.381666 0.969867 0.935141 O\n0.478235 0.201497 0.538116 O\n0.978235 0.798503 0.961884 O\n0.521765 0.798503 0.461884 O\n0.021765 0.201497 0.038116 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
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"Ru",
"N",
"O"
],
"chemical_system": "K-N-O-Ru",
"density": 2.3308669986636117,
"density_atomic": 0.06173129906967944,
"volume": 1166.3451293764242,
"volume_molar": 9.755409088673941,
"formula_full": "K8 Ru4 N20 O40",
"formula_reduced": "K2Ru(NO2)5",
"formula_anonymous": "AB2C5D10",
"energy": -483.52474248,
"energy_per_atom": -6.715621423333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -456.0447424800001,
"band_gap": 0.1857000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9999138,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.090000Z",
"spacegroup": 14
},
{
"id": "mp-555204",
"created_at": "2022-09-04T14:40:58.710493Z",
"structure_string": "Sr10 Cr6 Cl2 O24\n1.0\n5.153434 -8.926009 0.000000\n5.153434 8.926009 0.000000\n0.000000 0.000000 7.375182\nSr Cr Cl O\n10 6 2 24\ndirect\n0.001082 0.747584 0.750000 Sr\n0.333333 0.666667 0.501228 Sr\n0.747584 0.746502 0.250000 Sr\n0.666667 0.333333 0.498772 Sr\n0.253498 0.001082 0.250000 Sr\n0.252416 0.253498 0.750000 Sr\n0.998918 0.252416 0.250000 Sr\n0.666667 0.333333 0.001228 Sr\n0.746502 0.998918 0.750000 Sr\n0.333333 0.666667 0.998772 Sr\n0.031718 0.405852 0.750000 Cr\n0.374134 0.968282 0.750000 Cr\n0.594148 0.625866 0.750000 Cr\n0.968282 0.594148 0.250000 Cr\n0.625866 0.031718 0.250000 Cr\n0.405852 0.374134 0.250000 Cr\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.161375 0.680231 0.250000 O\n0.739565 0.096623 0.441817 O\n0.096623 0.357058 0.558183 O\n0.260435 0.903377 0.941817 O\n0.131016 0.600318 0.750000 O\n0.260435 0.903377 0.558183 O\n0.518856 0.838625 0.250000 O\n0.481144 0.161375 0.750000 O\n0.642942 0.739565 0.558183 O\n0.399682 0.530698 0.750000 O\n0.319769 0.481144 0.250000 O\n0.357058 0.260435 0.441817 O\n0.903377 0.642942 0.058183 O\n0.838625 0.319769 0.750000 O\n0.868984 0.399682 0.250000 O\n0.096623 0.357058 0.941817 O\n0.903377 0.642942 0.441817 O\n0.600318 0.469302 0.250000 O\n0.357058 0.260435 0.058183 O\n0.680231 0.518856 0.750000 O\n0.642942 0.739565 0.941817 O\n0.739565 0.096623 0.058183 O\n0.469302 0.868984 0.750000 O\n0.530698 0.131016 0.250000 O\n",
"nsites": 42,
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"elements": [
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"Cr",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-O-Sr",
"density": 4.021128126122371,
"density_atomic": 0.06190026580215243,
"volume": 678.5108182611318,
"volume_molar": 9.728780130360274,
"formula_full": "Sr10 Cr6 Cl2 O24",
"formula_reduced": "Sr5Cr3ClO12",
"formula_anonymous": "AB3C5D12",
"energy": -310.23839228,
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"formation_energy": null,
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"total_magnetization": 6.0046751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.811000Z",
"spacegroup": 176
}
]
}