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{
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"structure_string": "Li8 Mn8 Si8 O28\n1.0\n13.420356 0.000000 0.000000\n0.000000 5.546400 0.000000\n0.000000 5.528195 8.548269\nLi Mn Si O\n8 8 8 28\ndirect\n0.356722 0.727708 0.117361 Li\n0.743115 0.034025 0.167772 Li\n0.243115 0.965975 0.332228 Li\n0.856722 0.272292 0.382639 Li\n0.143278 0.727708 0.617361 Li\n0.756885 0.034025 0.667772 Li\n0.256885 0.965975 0.832228 Li\n0.643278 0.272292 0.882639 Li\n0.086123 0.543031 0.113224 Mn\n0.490892 0.159622 0.197947 Mn\n0.990892 0.840378 0.302053 Mn\n0.586123 0.456969 0.386776 Mn\n0.413877 0.543031 0.613224 Mn\n0.009108 0.159622 0.697947 Mn\n0.509108 0.840378 0.802053 Mn\n0.913877 0.456969 0.886776 Mn\n0.882186 0.779897 0.041578 Si\n0.673112 0.642716 0.040808 Si\n0.173112 0.357284 0.459192 Si\n0.382186 0.220103 0.458422 Si\n0.617814 0.779897 0.541578 Si\n0.826888 0.642716 0.540808 Si\n0.326888 0.357284 0.959192 Si\n0.117814 0.220103 0.958422 Si\n0.794689 0.567722 0.038583 O\n0.168458 0.921145 0.001604 O\n0.035203 0.197452 0.085547 O\n0.619521 0.350336 0.067667 O\n0.357171 0.072264 0.131103 O\n0.658276 0.709523 0.176848 O\n0.938453 0.595588 0.212966 O\n0.438453 0.404412 0.287034 O\n0.158276 0.290477 0.323152 O\n0.857171 0.927736 0.368897 O\n0.119521 0.649664 0.432333 O\n0.535203 0.802548 0.414453 O\n0.668458 0.078855 0.498396 O\n0.294689 0.432278 0.461417 O\n0.705311 0.567722 0.538583 O\n0.331542 0.921145 0.501604 O\n0.464797 0.197452 0.585547 O\n0.880479 0.350336 0.567667 O\n0.142829 0.072264 0.631103 O\n0.841724 0.709523 0.676848 O\n0.561547 0.595588 0.712966 O\n0.061547 0.404412 0.787034 O\n0.341724 0.290477 0.823152 O\n0.642829 0.927736 0.868897 O\n0.380479 0.649664 0.932333 O\n0.964797 0.802548 0.914453 O\n0.831542 0.078855 0.998396 O\n0.205311 0.432278 0.961417 O\n",
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{
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"id": "mp-771045",
"created_at": "2022-09-04T14:40:26.952699Z",
"structure_string": "La12 Si6 O30\n1.0\n5.927450 5.810760 0.000000\n-5.927450 5.810760 0.000000\n0.000000 1.724376 11.667012\nLa Si O\n12 6 30\ndirect\n0.714026 0.001775 0.931350 La\n0.001775 0.714026 0.431350 La\n0.360321 0.020357 0.744913 La\n0.020357 0.360321 0.244913 La\n0.385353 0.663116 0.570311 La\n0.336884 0.614647 0.929689 La\n0.663116 0.385353 0.070311 La\n0.614647 0.336884 0.429689 La\n0.979643 0.639679 0.755087 La\n0.639679 0.979643 0.255087 La\n0.998225 0.285974 0.568650 La\n0.285974 0.998225 0.068650 La\n0.731283 0.927942 0.551494 Si\n0.927942 0.731283 0.051494 Si\n0.632290 0.367710 0.750000 Si\n0.367710 0.632290 0.250000 Si\n0.072058 0.268717 0.948506 Si\n0.268717 0.072058 0.448506 Si\n0.875164 0.835327 0.617881 O\n0.835327 0.875164 0.117881 O\n0.851178 0.744549 0.925209 O\n0.744549 0.851178 0.425209 O\n0.550177 0.882763 0.618382 O\n0.448430 0.884486 0.923178 O\n0.882763 0.550177 0.118382 O\n0.884486 0.448430 0.423178 O\n0.830172 0.401167 0.718116 O\n0.401167 0.830172 0.218116 O\n0.874510 0.235778 0.969108 O\n0.567526 0.457932 0.865409 O\n0.235778 0.874510 0.469108 O\n0.257253 0.742747 0.750000 O\n0.457932 0.567526 0.365409 O\n0.542068 0.432474 0.634591 O\n0.742747 0.257253 0.250000 O\n0.764222 0.125490 0.530892 O\n0.432474 0.542068 0.134591 O\n0.125490 0.764222 0.030892 O\n0.598833 0.169828 0.781884 O\n0.169828 0.598833 0.281884 O\n0.115514 0.551570 0.576822 O\n0.117237 0.449823 0.881618 O\n0.551570 0.115514 0.076822 O\n0.449823 0.117237 0.381618 O\n0.255451 0.148822 0.574791 O\n0.148822 0.255451 0.074791 O\n0.164673 0.124836 0.882119 O\n0.124836 0.164673 0.382119 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"La",
"Si",
"O"
],
"chemical_system": "La-O-Si",
"density": 4.783846830537148,
"density_atomic": 0.05972425755199228,
"volume": 803.6935404046528,
"volume_molar": 10.083240892124097,
"formula_full": "La12 Si6 O30",
"formula_reduced": "La2SiO5",
"formula_anonymous": "AB2C5",
"energy": -419.20320549,
"energy_per_atom": -8.733400114375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -398.59320549,
"band_gap": 4.0112000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.274000Z",
"spacegroup": 15
},
{
"id": "mp-3540",
"created_at": "2022-09-04T14:40:26.960426Z",
"structure_string": "Li8 Sn4 O12\n1.0\n4.654476 2.678973 0.000000\n-4.654476 2.678973 0.000000\n0.000000 1.824513 9.988141\nLi Sn O\n8 4 12\ndirect\n0.158845 0.315646 0.000901 Li\n0.684354 0.841155 0.499099 Li\n0.841155 0.684354 0.999099 Li\n0.315646 0.158845 0.500901 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.915135 0.084865 0.750000 Li\n0.084865 0.915135 0.250000 Li\n0.417184 0.582816 0.250000 Sn\n0.749746 0.250254 0.250000 Sn\n0.250254 0.749746 0.750000 Sn\n0.582816 0.417184 0.750000 Sn\n0.041872 0.227081 0.369698 O\n0.876343 0.395925 0.867009 O\n0.772919 0.958128 0.130302 O\n0.958128 0.772919 0.630302 O\n0.526951 0.693232 0.867051 O\n0.604075 0.123657 0.632991 O\n0.123657 0.604075 0.132991 O\n0.395925 0.876343 0.367009 O\n0.693232 0.526951 0.367051 O\n0.306768 0.473049 0.632949 O\n0.473049 0.306768 0.132949 O\n0.227081 0.041872 0.869698 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn",
"density": 4.815589686683862,
"density_atomic": 0.09635127137232148,
"volume": 249.08856580894482,
"volume_molar": 6.250193354199953,
"formula_full": "Li8 Sn4 O12",
"formula_reduced": "Li2SnO3",
"formula_anonymous": "AB2C3",
"energy": -144.07768541,
"energy_per_atom": -6.003236892083333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.83368541,
"band_gap": 3.1283000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013428,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.005000Z",
"spacegroup": 15
}
]
}