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{
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{
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"formula_full": "Sr2 La4 Co6 O18",
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{
"id": "mp-1275338",
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"formula_full": "Sr4 La4 Co4 O16",
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{
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"formula_full": "Sr2 La4 Co6 O18",
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{
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"structure_string": "Sr3 La1 Co2 O8\n1.0\n2.714881 -6.334381 0.000000\n2.714881 6.334381 0.000000\n0.000000 0.000000 5.378826\nSr La Co O\n3 1 2 8\ndirect\n0.644369 0.355631 0.000000 Sr\n0.357645 0.642355 0.000000 Sr\n0.856054 0.143946 0.500000 Sr\n0.142594 0.857406 0.500000 La\n0.497608 0.502392 0.500000 Co\n0.997822 0.002178 0.000000 Co\n0.841965 0.158035 0.000000 O\n0.329188 0.670812 0.500000 O\n0.662235 0.337765 0.500000 O\n0.159574 0.840426 0.000000 O\n0.761060 0.755587 0.749238 O\n0.244413 0.238940 0.250762 O\n0.244413 0.238940 0.749238 O\n0.761060 0.755587 0.250762 O\n",
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{
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{
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{
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{
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{
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],
"chemical_system": "Co-La-O-Sr",
"density": 6.486835590196051,
"density_atomic": 0.08539027995653367,
"volume": 175.66402180242846,
"volume_molar": 7.052489771746221,
"formula_full": "Sr1 La2 Co3 O9",
"formula_reduced": "SrLa2(CoO3)3",
"formula_anonymous": "AB2C3D9",
"energy": -112.88177838,
"energy_per_atom": -7.525451892,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -101.78477838,
"band_gap": 0.0608000000000004,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:27.276000Z",
"spacegroup": 8
},
{
"id": "mp-1277762",
"created_at": "2022-09-04T14:44:51.429642Z",
"structure_string": "Sr2 La2 Co2 O8\n1.0\n3.868657 -0.000356 -0.000747\n-0.000711 7.701547 -0.000770\n-1.935356 -1.925844 6.381553\nSr La Co O\n2 2 2 8\ndirect\n0.641149 0.322447 0.282521 Sr\n0.643500 0.819907 0.286944 Sr\n0.358338 0.673787 0.716485 La\n0.357180 0.184228 0.714559 La\n0.002559 0.001320 0.005123 Co\n0.006674 0.503180 0.013264 Co\n0.830523 0.414924 0.661093 O\n0.836047 0.918065 0.671465 O\n0.174469 0.587311 0.348961 O\n0.171833 0.086052 0.344493 O\n0.490396 0.495238 0.980696 O\n0.496674 0.998173 0.993263 O\n0.995769 0.743000 0.991214 O\n0.994890 0.252367 0.989920 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"La",
"Co",
"O"
],
"chemical_system": "Co-La-O-Sr",
"density": 6.10444087278999,
"density_atomic": 0.07363800316133944,
"volume": 190.11922375632963,
"volume_molar": 8.17803376173252,
"formula_full": "Sr2 La2 Co2 O8",
"formula_reduced": "SrLaCoO4",
"formula_anonymous": "ABCD4",
"energy": -105.40563303,
"energy_per_atom": -7.528973787857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -96.63363303,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.117000Z",
"spacegroup": 8
},
{
"id": "mp-1308812",
"created_at": "2022-09-04T14:44:50.795605Z",
"structure_string": "Sr2 La4 Co6 O18\n1.0\n3.862849 0.012661 3.862073\n-0.026169 3.957605 3.900096\n-7.888785 -7.921285 7.864003\nSr La Co O\n2 4 6 18\ndirect\n0.320557 0.336584 0.418218 Sr\n0.346057 0.330517 0.914933 Sr\n0.682419 0.650715 0.082234 La\n0.665066 0.657059 0.584412 La\n0.983263 0.016290 0.251929 La\n0.002514 0.008056 0.747711 La\n0.333560 0.332776 0.166658 Co\n0.669689 0.667850 0.839062 Co\n0.996755 0.999176 0.494424 Co\n0.333340 0.333067 0.666652 Co\n0.660644 0.670690 0.336715 Co\n0.005628 0.996963 0.996408 Co\n0.789692 0.842818 0.440809 O\n0.876462 0.826210 0.891727 O\n0.824523 0.326834 0.411761 O\n0.841037 0.343105 0.922937 O\n0.305457 0.810901 0.395498 O\n0.360702 0.857021 0.937757 O\n0.124339 0.170877 0.110385 O\n0.218246 0.103006 0.570922 O\n0.543045 0.493962 0.223616 O\n0.449261 0.562360 0.762337 O\n0.475639 0.060402 0.256687 O\n0.486728 0.032151 0.744964 O\n0.192319 0.605142 0.076787 O\n0.179254 0.633860 0.587961 O\n0.977758 0.578001 0.257608 O\n0.971790 0.469077 0.728427 O\n0.689721 0.087396 0.075953 O\n0.694533 0.197136 0.604512 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-La-O-Sr",
"density": 6.320915372777616,
"density_atomic": 0.08320616820916303,
"volume": 360.55019292062855,
"volume_molar": 7.237613376043936,
"formula_full": "Sr2 La4 Co6 O18",
"formula_reduced": "SrLa2(CoO3)3",
"formula_anonymous": "AB2C3D9",
"energy": -226.91883051,
"energy_per_atom": -7.563961017,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -204.72483051,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.123000Z",
"spacegroup": 2
}
]
}