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{
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:38:28.667000Z",
"spacegroup": 230
},
{
"id": "mp-1236652",
"created_at": "2022-09-04T14:48:08.916049Z",
"structure_string": "Li1 Cu6 O1 F11\n1.0\n2.803893 0.140180 -4.633775\n0.000423 4.698410 -0.136191\n7.783729 -0.129746 4.767243\nLi Cu O F\n1 6 1 11\ndirect\n0.492742 0.701209 0.798239 Li\n0.994138 0.992105 0.004207 Cu\n0.471192 0.521164 0.079509 Cu\n0.337932 0.984948 0.327168 Cu\n0.825770 0.506247 0.329520 Cu\n0.157050 0.489353 0.639668 Cu\n0.684537 0.050517 0.627206 Cu\n0.556382 0.706452 0.251497 O\n0.265259 0.186594 0.082627 F\n0.061225 0.774387 0.256045 F\n0.779408 0.278431 0.089153 F\n0.110717 0.279382 0.408740 F\n0.608697 0.202911 0.407043 F\n0.378922 0.806769 0.603373 F\n0.870633 0.705907 0.565352 F\n0.455847 0.318102 0.730681 F\n0.227650 0.698609 0.930992 F\n0.958191 0.213087 0.728675 F\n0.726208 0.792157 0.929364 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
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"F"
],
"chemical_system": "Cu-F-Li-O",
"density": 4.387697319407493,
"density_atomic": 0.08187283763103288,
"volume": 232.0671977393182,
"volume_molar": 7.355480687183832,
"formula_full": "Li1 Cu6 O1 F11",
"formula_reduced": "LiCu6OF11",
"formula_anonymous": "ABC6D11",
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"updated_at": "2021-11-28T01:38:24.659000Z",
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},
{
"id": "mp-1040077",
"created_at": "2022-09-04T14:48:10.180359Z",
"structure_string": "Li1 Mg30 B1 O31\n1.0\n8.465058 0.000000 0.000000\n0.000000 8.465058 0.000000\n0.000000 0.000000 8.545604\nLi Mg B O\n1 30 1 31\ndirect\n0.000000 0.000000 0.991404 Li\n0.000000 0.500000 0.001170 Mg\n0.500000 0.000000 0.001170 Mg\n0.000000 0.000000 0.499986 Mg\n0.000000 0.500000 0.499148 Mg\n0.500000 0.000000 0.499148 Mg\n0.500000 0.500000 0.498512 Mg\n0.249655 0.249655 0.000057 Mg\n0.249655 0.750345 0.000057 Mg\n0.750345 0.249655 0.000057 Mg\n0.750345 0.750345 0.000057 Mg\n0.249294 0.249294 0.500487 Mg\n0.249294 0.750706 0.500487 Mg\n0.750706 0.249294 0.500487 Mg\n0.750706 0.750706 0.500487 Mg\n0.000000 0.249023 0.247180 Mg\n0.000000 0.750977 0.247180 Mg\n0.500000 0.258718 0.247785 Mg\n0.500000 0.741282 0.247785 Mg\n0.000000 0.246537 0.753223 Mg\n0.000000 0.753463 0.753223 Mg\n0.500000 0.244967 0.750838 Mg\n0.500000 0.755033 0.750838 Mg\n0.249023 0.000000 0.247180 Mg\n0.258718 0.500000 0.247785 Mg\n0.750977 0.000000 0.247180 Mg\n0.741282 0.500000 0.247785 Mg\n0.246537 0.000000 0.753223 Mg\n0.244967 0.500000 0.750838 Mg\n0.753463 0.000000 0.753223 Mg\n0.755033 0.500000 0.750838 Mg\n0.500000 0.500000 0.952153 B\n0.000000 0.500000 0.246245 O\n0.500000 0.000000 0.246245 O\n0.500000 0.500000 0.268422 O\n0.000000 0.000000 0.745276 O\n0.000000 0.500000 0.755379 O\n0.500000 0.000000 0.755379 O\n0.500000 0.500000 0.780532 O\n0.252048 0.252048 0.249053 O\n0.252048 0.747952 0.249053 O\n0.747952 0.252048 0.249053 O\n0.747952 0.747952 0.249053 O\n0.250711 0.250711 0.751196 O\n0.250711 0.749289 0.751196 O\n0.749289 0.250711 0.751196 O\n0.749289 0.749289 0.751196 O\n0.000000 0.261672 0.999811 O\n0.000000 0.738328 0.999811 O\n0.500000 0.285920 0.995204 O\n0.500000 0.714080 0.995204 O\n0.000000 0.253154 0.501311 O\n0.000000 0.746846 0.501311 O\n0.500000 0.251566 0.506314 O\n0.500000 0.748434 0.506314 O\n0.261672 0.000000 0.999811 O\n0.285920 0.500000 0.995204 O\n0.738328 0.000000 0.999811 O\n0.714080 0.500000 0.995204 O\n0.253154 0.000000 0.501311 O\n0.251566 0.500000 0.506314 O\n0.746846 0.000000 0.501311 O\n0.748434 0.500000 0.506314 O\n",
"nsites": 63,
"nelements": 4,
"elements": [
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"B",
"O"
],
"chemical_system": "B-Li-Mg-O",
"density": 3.3703642921411294,
"density_atomic": 0.1028816472861609,
"volume": 612.3541142840394,
"volume_molar": 5.853464557434305,
"formula_full": "Li1 Mg30 B1 O31",
"formula_reduced": "LiMg30BO31",
"formula_anonymous": "ABC30D31",
"energy": -392.06732362,
"energy_per_atom": -6.223290851111112,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -370.77032362,
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"updated_at": "2021-11-28T01:38:32.375000Z",
"spacegroup": 99
}
]
}