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{
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"structure_string": "Li6 Fe5 Cu1 O12\n1.0\n4.485290 2.579189 0.000000\n-4.485290 2.579189 0.000000\n0.000000 0.068643 10.160917\nLi Fe Cu O\n6 5 1 12\ndirect\n0.984742 0.662949 0.274811 Li\n0.662949 0.984743 0.274811 Li\n0.694122 0.694122 0.721797 Li\n0.305878 0.305878 0.278203 Li\n0.337051 0.015257 0.725189 Li\n0.015257 0.337051 0.725189 Li\n0.500000 0.500000 0.000000 Fe\n0.663455 0.336545 0.500000 Fe\n0.336545 0.663455 0.500000 Fe\n0.832486 0.167514 0.000000 Fe\n0.167514 0.832486 0.000000 Fe\n0.000000 0.000000 0.500000 Cu\n0.843865 0.843865 0.894947 O\n0.841438 0.510235 0.101797 O\n0.510235 0.841438 0.101797 O\n0.992087 0.329292 0.388991 O\n0.329292 0.992087 0.388991 O\n0.635397 0.635397 0.379183 O\n0.364603 0.364603 0.620817 O\n0.670708 0.007913 0.611009 O\n0.007913 0.670708 0.611009 O\n0.489765 0.158562 0.898203 O\n0.158562 0.489765 0.898203 O\n0.156135 0.156135 0.105053 O\n",
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"structure_string": "Li2 Co2 P2 O8 F2\n1.0\n5.169498 0.000000 0.000000\n-0.848846 5.283724 0.000000\n-2.410465 -2.437418 6.481624\nLi Co P O F\n2 2 2 8 2\ndirect\n0.267732 0.622941 0.190786 Li\n0.732268 0.377059 0.809214 Li\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.318669 0.644631 0.764645 P\n0.681331 0.355369 0.235355 P\n0.309488 0.347548 0.658116 O\n0.690512 0.652452 0.341884 O\n0.363338 0.233082 0.078668 O\n0.750687 0.204304 0.387619 O\n0.636662 0.766918 0.921332 O\n0.249313 0.795696 0.612381 O\n0.124265 0.659276 0.888665 O\n0.875735 0.340724 0.111335 O\n0.136321 0.935447 0.268392 F\n0.863679 0.064553 0.731608 F\n",
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"nelements": 5,
"elements": [
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"P",
"O",
"F"
],
"chemical_system": "Co-F-Li-O-P",
"density": 3.373670169172414,
"density_atomic": 0.090374863280353,
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"volume_molar": 6.663512996217368,
"formula_full": "Li2 Co2 P2 O8 F2",
"formula_reduced": "LiCoPO4F",
"formula_anonymous": "ABCDE4",
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"energy_per_atom": -6.867839115625,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:34:52.917000Z",
"spacegroup": 2
},
{
"id": "mp-1176628",
"created_at": "2022-09-04T14:40:16.070347Z",
"structure_string": "Li2 Mn2 F8\n1.0\n5.554890 0.000000 0.000000\n0.000000 4.640812 0.000000\n0.000000 0.475314 5.316593\nLi Mn F\n2 2 8\ndirect\n0.354646 0.500000 0.750000 Li\n0.645354 0.500000 0.250000 Li\n0.845287 0.000000 0.750000 Mn\n0.154713 0.000000 0.250000 Mn\n0.097864 0.772658 0.911265 F\n0.902136 0.772658 0.411265 F\n0.619105 0.744396 0.901646 F\n0.380895 0.744396 0.401646 F\n0.619105 0.255604 0.598354 F\n0.380895 0.255604 0.098354 F\n0.097864 0.227342 0.588735 F\n0.902136 0.227342 0.088735 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
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],
"chemical_system": "F-Li-Mn",
"density": 3.3408300771224564,
"density_atomic": 0.08755448385920256,
"volume": 137.0575151730361,
"volume_molar": 6.87816373823216,
"formula_full": "Li2 Mn2 F8",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy": -72.45128588,
"energy_per_atom": -6.037607156666667,
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"updated_at": "2021-11-28T01:34:55.473000Z",
"spacegroup": 13
},
{
"id": "mp-752940",
"created_at": "2022-09-04T14:40:23.269405Z",
"structure_string": "Li2 Cr1 Co1 O4\n1.0\n2.929704 0.000000 0.000000\n0.000000 5.135691 0.000000\n0.000000 1.730257 4.864742\nLi Cr Co O\n2 1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Co\n0.000000 0.243870 0.271219 O\n0.500000 0.740903 0.270444 O\n0.500000 0.259097 0.729556 O\n0.000000 0.756130 0.728781 O\n",
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"nelements": 4,
"elements": [
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"Cr",
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"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.2834046703211035,
"density_atomic": 0.10929682466762754,
"volume": 73.19517309243027,
"volume_molar": 5.509895441439744,
"formula_full": "Li2 Cr1 Co1 O4",
"formula_reduced": "Li2CrCoO4",
"formula_anonymous": "ABC2D4",
"energy": -56.35841036,
"energy_per_atom": -7.044801295,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:51.139000Z",
"spacegroup": 10
}
]
}