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{
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{
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{
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"structure_string": "Lu2 Ni8 P4\n1.0\n7.011215 0.000000 0.000000\n0.000000 7.011215 0.000000\n0.000000 0.000000 3.579542\nLu Ni P\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.164349 0.584920 0.500000 Ni\n0.835651 0.415080 0.500000 Ni\n0.335651 0.084920 0.000000 Ni\n0.664349 0.915080 0.000000 Ni\n0.584920 0.164349 0.500000 Ni\n0.415080 0.835651 0.500000 Ni\n0.084920 0.335651 0.000000 Ni\n0.915080 0.664349 0.000000 Ni\n0.719438 0.719438 0.500000 P\n0.280562 0.280562 0.500000 P\n0.780562 0.219438 0.000000 P\n0.219438 0.780562 0.000000 P\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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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.966342 0.000000 0.000000\n-1.123245 7.573562 0.000000\n-0.513725 -2.007746 9.708467\nLi Mn Co O\n7 4 1 12\ndirect\n0.084448 0.166293 0.746532 Li\n0.585553 0.169440 0.255135 Li\n0.761773 0.511816 0.755637 Li\n0.258999 0.506624 0.243560 Li\n0.407221 0.827871 0.756584 Li\n0.902430 0.816878 0.241081 Li\n0.333421 0.666403 0.999563 Li\n0.002357 0.989973 0.996389 Mn\n0.664019 0.342876 0.003522 Mn\n0.501655 0.002781 0.497842 Mn\n0.830475 0.664152 0.500793 Mn\n0.168317 0.333662 0.501442 Co\n0.525361 0.082994 0.893586 O\n0.085961 0.096892 0.381381 O\n0.169276 0.399791 0.892052 O\n0.746008 0.420792 0.387162 O\n0.891625 0.769053 0.882053 O\n0.417634 0.758270 0.379667 O\n0.587765 0.244645 0.617000 O\n0.141544 0.250609 0.106457 O\n0.249039 0.571329 0.618677 O\n0.774248 0.563900 0.118903 O\n0.913583 0.909406 0.616601 O\n0.497286 0.933551 0.108381 O\n",
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],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9533587818356364,
"density_atomic": 0.11003711034797783,
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"volume_molar": 5.472827068028026,
"formula_full": "Li7 Mn4 Co1 O12",
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{
"id": "mp-753817",
"created_at": "2022-09-04T14:45:59.462900Z",
"structure_string": "Sr8 Li8 Ni4 O16\n1.0\n-0.521548 5.424583 -0.331342\n-3.323183 -1.371194 10.658862\n6.677488 -0.721198 5.454501\nSr Li Ni O\n8 8 4 16\ndirect\n0.277818 0.373047 0.026750 Sr\n0.277798 0.873125 0.026678 Sr\n0.722160 0.126929 0.973252 Sr\n0.722204 0.626895 0.973293 Sr\n0.826792 0.275766 0.305129 Sr\n0.826771 0.775804 0.305139 Sr\n0.173203 0.224249 0.694845 Sr\n0.173217 0.724191 0.694868 Sr\n0.800679 0.462830 0.454764 Li\n0.800698 0.962814 0.454859 Li\n0.199293 0.037167 0.545203 Li\n0.199227 0.537171 0.545162 Li\n0.413704 0.350882 0.412404 Li\n0.413778 0.850874 0.412494 Li\n0.586245 0.149112 0.587537 Li\n0.586218 0.649119 0.587527 Li\n0.291476 0.570056 0.245273 Ni\n0.708709 0.930170 0.754664 Ni\n0.291449 0.069831 0.245462 Ni\n0.708610 0.430002 0.754708 Ni\n0.579011 0.479246 0.238003 O\n0.579042 0.979245 0.238037 O\n0.421005 0.020754 0.761971 O\n0.420936 0.520724 0.761965 O\n0.199365 0.155644 0.995921 O\n0.199398 0.655721 0.995908 O\n0.800617 0.344309 0.004076 O\n0.800643 0.844315 0.004118 O\n0.123676 0.419208 0.424493 O\n0.123687 0.919166 0.424584 O\n0.876344 0.080815 0.575477 O\n0.876254 0.580801 0.575431 O\n0.346032 0.199074 0.356317 O\n0.346053 0.699095 0.356423 O\n0.653937 0.300898 0.643622 O\n0.653953 0.800950 0.643640 O\n",
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"elements": [
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],
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"density": 4.310478139071225,
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"volume": 480.4828153800227,
"volume_molar": 8.03759763049886,
"formula_full": "Sr8 Li8 Ni4 O16",
"formula_reduced": "Sr2Li2NiO4",
"formula_anonymous": "AB2C2D4",
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"energy_per_atom": -5.875623160277778,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:12.295000Z",
"spacegroup": 2
},
{
"id": "mp-757149",
"created_at": "2022-09-04T14:45:57.938046Z",
"structure_string": "Sr2 Hf7 O16\n1.0\n9.126948 -3.203126 0.000000\n9.126948 3.203126 0.000000\n8.002803 0.000000 5.432895\nSr Hf O\n2 7 16\ndirect\n0.333366 0.333366 0.333366 Sr\n0.666634 0.666634 0.666634 Sr\n0.000000 0.000000 0.000000 Hf\n0.886235 0.253678 0.513971 Hf\n0.486029 0.113765 0.746322 Hf\n0.746322 0.486029 0.113765 Hf\n0.253678 0.513971 0.886235 Hf\n0.513971 0.886235 0.253678 Hf\n0.113765 0.746322 0.486029 Hf\n0.235547 0.235547 0.235547 O\n0.964685 0.228024 0.678820 O\n0.847982 0.150460 0.412091 O\n0.587909 0.152018 0.849540 O\n0.321180 0.035315 0.771976 O\n0.771976 0.321180 0.035315 O\n0.849540 0.587909 0.152018 O\n0.570895 0.570895 0.570895 O\n0.429105 0.429105 0.429105 O\n0.150460 0.412091 0.847982 O\n0.228024 0.678820 0.964685 O\n0.678820 0.964685 0.228024 O\n0.412091 0.847982 0.150460 O\n0.152018 0.849540 0.587909 O\n0.035315 0.771976 0.321180 O\n0.764453 0.764453 0.764453 O\n",
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],
"chemical_system": "Hf-O-Sr",
"density": 8.785533894799228,
"density_atomic": 0.07870079193945988,
"volume": 317.6588110985097,
"volume_molar": 7.651944296357903,
"formula_full": "Sr2 Hf7 O16",
"formula_reduced": "Sr2Hf7O16",
"formula_anonymous": "A2B7C16",
"energy": -250.6053346,
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"updated_at": "2021-11-28T01:37:12.024000Z",
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]
}