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{
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{
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{
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"structure_string": "Mn4 Bi6 O14\n1.0\n-0.000233 -0.000387 -5.807919\n-5.867097 0.000198 0.000008\n2.933157 10.305748 0.000477\nMn Bi O\n4 6 14\ndirect\n0.511627 0.627464 0.785633 Mn\n0.511438 0.841840 0.214346 Mn\n0.003247 0.378774 0.208045 Mn\n0.003114 0.170486 0.791673 Mn\n0.416812 0.127392 0.000076 Bi\n0.913279 0.833692 0.000081 Bi\n0.038893 0.969732 0.373352 Bi\n0.039064 0.596322 0.626672 Bi\n0.533545 0.052285 0.629456 Bi\n0.533400 0.423010 0.370587 Bi\n0.535156 0.753286 0.000000 O\n0.033406 0.208261 0.999987 O\n0.427053 0.079664 0.436098 O\n0.427009 0.643494 0.563948 O\n0.935711 0.950983 0.575911 O\n0.935673 0.375181 0.424106 O\n0.276880 0.632184 0.255331 O\n0.277115 0.376793 0.744687 O\n0.752560 0.395322 0.738889 O\n0.752298 0.656700 0.261163 O\n0.279414 0.073356 0.186054 O\n0.279601 0.887251 0.813958 O\n0.761925 0.880257 0.814216 O\n0.761779 0.066270 0.185731 O\n",
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{
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"structure_string": "Li2 V2 F8\n1.0\n2.929332 -4.201715 0.000000\n2.929332 4.201715 0.000000\n0.000000 0.000000 6.377763\nLi V F\n2 2 8\ndirect\n0.357411 0.642589 0.750000 Li\n0.642589 0.357411 0.250000 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.233229 0.208524 0.250000 F\n0.208524 0.233229 0.750000 F\n0.225215 0.774785 0.517553 F\n0.225215 0.774785 0.982447 F\n0.774785 0.225215 0.017553 F\n0.774785 0.225215 0.482447 F\n0.791476 0.766771 0.250000 F\n0.766771 0.791476 0.750000 F\n",
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{
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"structure_string": "Y1 Lu1 Hg2\n1.0\n0.000000 3.697190 3.697190\n3.697190 0.000000 3.697190\n3.697190 3.697190 0.000000\nY Lu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
"id": "mp-1099242",
"created_at": "2022-09-04T14:47:08.755619Z",
"structure_string": "Cs1 Li1 Mg6 O7\n1.0\n4.512364 0.000000 0.000000\n0.000000 4.512364 0.000000\n0.000000 0.000000 9.520674\nCs Li Mg O\n1 1 6 7\ndirect\n0.000000 0.000000 0.505560 Cs\n0.000000 0.000000 0.000850 Li\n0.500000 0.500000 0.986747 Mg\n0.500000 0.500000 0.524892 Mg\n0.000000 0.500000 0.212688 Mg\n0.000000 0.500000 0.790874 Mg\n0.500000 0.000000 0.212688 Mg\n0.500000 0.000000 0.790874 Mg\n0.000000 0.000000 0.214878 O\n0.000000 0.000000 0.789497 O\n0.500000 0.500000 0.753291 O\n0.000000 0.500000 0.001734 O\n0.000000 0.500000 0.481847 O\n0.500000 0.000000 0.001734 O\n0.500000 0.000000 0.481847 O\n",
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"volume": 193.85452643113928,
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{
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"created_at": "2022-09-04T14:47:08.750272Z",
"structure_string": "La6 Ti2\n1.0\n3.584170 -6.207965 0.000000\n3.584170 6.207965 0.000000\n0.000000 0.000000 5.677731\nLa Ti\n6 2\ndirect\n0.176220 0.352440 0.250000 La\n0.647560 0.823780 0.250000 La\n0.176220 0.823780 0.250000 La\n0.823780 0.647560 0.750000 La\n0.352440 0.176220 0.750000 La\n0.823780 0.176220 0.750000 La\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n",
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{
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{
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"structure_string": "Li14 Mn10 O24\n1.0\n-0.138175 0.013529 6.518876\n6.231572 6.115997 2.212247\n-4.789207 6.160860 0.285281\nLi Mn O\n14 10 24\ndirect\n0.251690 0.416302 0.245983 Li\n0.748433 0.916996 0.753930 Li\n0.628678 0.550032 0.116622 Li\n0.126610 0.050978 0.619346 Li\n0.371300 0.783287 0.883353 Li\n0.873415 0.282365 0.380528 Li\n0.613219 0.207414 0.130072 Li\n0.113736 0.716171 0.627183 Li\n0.886342 0.617093 0.372838 Li\n0.386855 0.125859 0.869932 Li\n0.622390 0.879793 0.113589 Li\n0.122142 0.368480 0.619848 Li\n0.377612 0.453628 0.886370 Li\n0.877837 0.964889 0.380052 Li\n0.499935 0.166699 0.500082 Mn\n0.999975 0.666627 0.000082 Mn\n0.992270 0.997010 0.003629 Mn\n0.499530 0.497063 0.499852 Mn\n0.007795 0.336317 0.996285 Mn\n0.500517 0.836284 0.500092 Mn\n0.248903 0.744272 0.255998 Mn\n0.749048 0.241362 0.753286 Mn\n0.751087 0.589080 0.744003 Mn\n0.250911 0.092027 0.246724 Mn\n0.557303 0.341573 0.341306 O\n0.054294 0.841221 0.844251 O\n0.945683 0.491979 0.155857 O\n0.442648 0.991728 0.658763 O\n0.046678 0.541349 0.808890 O\n0.548150 0.036451 0.316533 O\n0.953291 0.791986 0.191218 O\n0.451720 0.297004 0.683606 O\n0.045160 0.195219 0.812630 O\n0.541659 0.701115 0.311141 O\n0.458346 0.632222 0.688804 O\n0.954856 0.138125 0.187296 O\n0.294262 0.616382 0.069440 O\n0.794547 0.110911 0.565683 O\n0.705720 0.716903 0.930636 O\n0.205351 0.222478 0.434380 O\n0.298335 0.273950 0.052368 O\n0.789443 0.756373 0.575632 O\n0.701695 0.059354 0.947595 O\n0.210586 0.576946 0.424332 O\n0.800764 0.451210 0.565133 O\n0.291363 0.927236 0.087525 O\n0.708650 0.406097 0.912456 O\n0.199269 0.882160 0.434849 O\n",
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{
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"structure_string": "La2 N6 O26\n1.0\n11.044924 0.000000 0.000000\n0.000000 6.615585 0.000000\n0.000000 0.825648 6.641492\nLa N O\n2 6 26\ndirect\n0.250000 0.807560 0.371344 La\n0.750000 0.192440 0.628656 La\n0.250000 0.241719 0.481170 N\n0.750000 0.758281 0.518830 N\n0.498792 0.727822 0.184103 N\n0.998792 0.272178 0.815897 N\n0.501208 0.272178 0.815897 N\n0.001208 0.727822 0.184103 N\n0.348644 0.145240 0.467260 O\n0.848644 0.854760 0.532740 O\n0.651356 0.854760 0.532740 O\n0.151356 0.145240 0.467260 O\n0.250000 0.425024 0.509799 O\n0.750000 0.574976 0.490201 O\n0.459998 0.906659 0.202070 O\n0.959998 0.093341 0.797930 O\n0.540002 0.093341 0.797930 O\n0.040002 0.906659 0.202070 O\n0.597447 0.698747 0.104319 O\n0.097447 0.301253 0.895681 O\n0.402553 0.301253 0.895681 O\n0.902553 0.698747 0.104319 O\n0.431336 0.578579 0.253268 O\n0.931336 0.421421 0.746732 O\n0.568664 0.421421 0.746732 O\n0.068664 0.578579 0.253268 O\n0.250000 0.023274 0.051464 O\n0.750000 0.976726 0.948536 O\n0.250000 0.735989 0.865148 O\n0.750000 0.264011 0.134852 O\n0.349896 0.746840 0.760873 O\n0.849896 0.253160 0.239127 O\n0.650104 0.253160 0.239127 O\n0.150104 0.746840 0.760873 O\n",
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{
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"structure_string": "Li6 Co1 Cl8\n1.0\n0.000000 5.148199 5.148199\n5.148199 0.000000 5.148199\n5.148199 5.148199 0.000000\nLi Co Cl\n6 1 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n0.237442 0.237442 0.762558 Cl\n0.237442 0.762558 0.762558 Cl\n0.762558 0.237442 0.237442 Cl\n0.237442 0.762558 0.237442 Cl\n0.762558 0.237442 0.762558 Cl\n0.762558 0.762558 0.237442 Cl\n",
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.56362459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0030571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.631000Z",
"spacegroup": 225
},
{
"id": "mp-1225466",
"created_at": "2022-09-04T14:47:08.740452Z",
"structure_string": "Eu2 Co4 Si3 Ge1\n1.0\n3.927974 0.000000 0.000000\n0.000000 3.927974 0.000000\n0.000000 0.000000 10.233660\nEu Co Si Ge\n2 4 3 1\ndirect\n0.000000 0.000000 0.997491 Eu\n0.500000 0.500000 0.501085 Eu\n0.000000 0.500000 0.255930 Co\n0.500000 0.000000 0.749048 Co\n0.500000 0.000000 0.255930 Co\n0.000000 0.500000 0.749048 Co\n0.000000 0.000000 0.636324 Si\n0.000000 0.000000 0.365882 Si\n0.500000 0.500000 0.858807 Si\n0.500000 0.500000 0.130454 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Co",
"Si",
"Ge"
],
"chemical_system": "Co-Eu-Ge-Si",
"density": 7.3255078846316355,
"density_atomic": 0.06333325471092176,
"volume": 157.894932853901,
"volume_molar": 9.508655109369403,
"formula_full": "Eu2 Co4 Si3 Ge1",
"formula_reduced": "Eu2Co4Si3Ge",
"formula_anonymous": "AB2C3D4",
"energy": -75.73125816000001,
"energy_per_atom": -7.573125816000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.94425816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.791664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.323000Z",
"spacegroup": 99
}
]
}