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{
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{
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{
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{
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{
"id": "mp-758609",
"created_at": "2022-09-04T14:43:51.955835Z",
"structure_string": "Li4 Fe2 P8 O24\n1.0\n9.448194 0.000000 0.000000\n0.000000 7.586543 0.000000\n0.000000 4.653091 7.293564\nLi Fe P O\n4 2 8 24\ndirect\n0.659722 0.771451 0.354274 Li\n0.840278 0.771451 0.854274 Li\n0.159722 0.228549 0.145726 Li\n0.340278 0.228549 0.645726 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.594235 0.453723 0.732281 P\n0.094235 0.546277 0.767719 P\n0.217227 0.788037 0.382198 P\n0.717227 0.211963 0.117802 P\n0.282773 0.788037 0.882198 P\n0.782773 0.211963 0.617802 P\n0.905765 0.453723 0.232281 P\n0.405765 0.546277 0.267719 P\n0.727298 0.358888 0.683871 O\n0.112545 0.312143 0.887681 O\n0.458004 0.355953 0.731863 O\n0.634332 0.387656 0.938232 O\n0.134332 0.612344 0.561768 O\n0.112435 0.938539 0.241761 O\n0.958004 0.644047 0.768137 O\n0.612545 0.687857 0.612319 O\n0.832701 0.110368 0.075215 O\n0.227298 0.641112 0.816129 O\n0.332701 0.889632 0.424785 O\n0.612435 0.061461 0.258239 O\n0.387565 0.938539 0.741761 O\n0.667299 0.110368 0.575215 O\n0.772702 0.358888 0.183871 O\n0.167299 0.889632 0.924785 O\n0.387455 0.312143 0.387681 O\n0.041996 0.355953 0.231863 O\n0.887565 0.061461 0.758239 O\n0.865668 0.387656 0.438232 O\n0.365668 0.612344 0.061768 O\n0.541996 0.644047 0.268137 O\n0.887455 0.687857 0.112319 O\n0.272702 0.641112 0.316129 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Fe-Li-O-P",
"density": 2.4496290130455733,
"density_atomic": 0.0726860506930811,
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"formula_full": "Li4 Fe2 P8 O24",
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"updated_at": "2021-11-28T01:36:21.874000Z",
"spacegroup": 14
},
{
"id": "mp-780609",
"created_at": "2022-09-04T14:43:51.958568Z",
"structure_string": "Ca18 Mn2 P14 O56\n1.0\n12.895989 -5.213850 0.000000\n12.895989 5.213850 0.000000\n10.788028 0.000000 8.781185\nCa Mn P O\n18 2 14 56\ndirect\n0.343455 0.920979 0.935266 Ca\n0.095138 0.067723 0.642601 Ca\n0.142601 0.567723 0.595138 Ca\n0.026524 0.046686 0.448226 Ca\n0.435266 0.420979 0.843455 Ca\n0.546686 0.526524 0.948226 Ca\n0.067723 0.642601 0.095138 Ca\n0.526524 0.948226 0.546686 Ca\n0.420979 0.843455 0.435266 Ca\n0.935266 0.343455 0.920979 Ca\n0.046686 0.448226 0.026524 Ca\n0.595138 0.142601 0.567723 Ca\n0.448226 0.026524 0.046686 Ca\n0.567723 0.595138 0.142601 Ca\n0.843455 0.435266 0.420979 Ca\n0.948226 0.546686 0.526524 Ca\n0.920979 0.935266 0.343455 Ca\n0.642601 0.095138 0.067723 Ca\n0.998443 0.998443 0.998443 Mn\n0.498443 0.498443 0.498443 Mn\n0.177104 0.688092 0.725767 P\n0.313259 0.776145 0.815057 P\n0.315057 0.276145 0.813259 P\n0.225767 0.188092 0.677104 P\n0.276145 0.813259 0.315057 P\n0.188092 0.677104 0.225767 P\n0.732257 0.732257 0.732257 P\n0.232257 0.232257 0.232257 P\n0.725767 0.177104 0.688092 P\n0.815057 0.313259 0.776145 P\n0.776145 0.815057 0.313259 P\n0.677104 0.225767 0.188092 P\n0.688092 0.725767 0.177104 P\n0.813259 0.315057 0.276145 P\n0.134354 0.866913 0.883056 O\n0.145707 0.329353 0.869650 O\n0.164385 0.609097 0.887327 O\n0.126505 0.117460 0.857177 O\n0.093718 0.642345 0.740455 O\n0.327110 0.311084 0.886193 O\n0.350466 0.603875 0.911274 O\n0.128111 0.861528 0.646821 O\n0.146821 0.361528 0.628111 O\n0.411274 0.103875 0.850466 O\n0.386193 0.811084 0.827110 O\n0.240455 0.142345 0.593718 O\n0.109097 0.664385 0.387327 O\n0.103875 0.850466 0.411274 O\n0.357177 0.617460 0.626505 O\n0.604750 0.741630 0.888864 O\n0.387327 0.109097 0.664385 O\n0.369650 0.829353 0.645707 O\n0.383056 0.366913 0.634354 O\n0.646821 0.128111 0.861528 O\n0.645707 0.369650 0.829353 O\n0.241630 0.104750 0.388864 O\n0.104750 0.388864 0.241630 O\n0.142345 0.593718 0.240455 O\n0.366913 0.634354 0.383056 O\n0.117460 0.857177 0.126505 O\n0.311084 0.886193 0.327110 O\n0.690938 0.690938 0.690938 O\n0.190938 0.190938 0.190938 O\n0.827110 0.386193 0.811084 O\n0.626505 0.357177 0.617460 O\n0.883056 0.134354 0.866913 O\n0.740455 0.093718 0.642345 O\n0.741630 0.888864 0.604750 O\n0.888864 0.604750 0.741630 O\n0.329353 0.869650 0.145707 O\n0.361528 0.628111 0.146821 O\n0.603875 0.911274 0.350466 O\n0.628111 0.146821 0.361528 O\n0.617460 0.626505 0.357177 O\n0.388864 0.241630 0.104750 O\n0.634354 0.383056 0.366913 O\n0.911274 0.350466 0.603875 O\n0.887327 0.164385 0.609097 O\n0.811084 0.827110 0.386193 O\n0.593718 0.240455 0.142345 O\n0.829353 0.645707 0.369650 O\n0.609097 0.887327 0.164385 O\n0.664385 0.387327 0.109097 O\n0.869650 0.145707 0.329353 O\n0.642345 0.740455 0.093718 O\n0.886193 0.327110 0.311084 O\n0.866913 0.883056 0.134354 O\n0.857177 0.126505 0.117460 O\n0.861528 0.646821 0.128111 O\n0.850466 0.411274 0.103875 O\n",
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"elements": [
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"P",
"O"
],
"chemical_system": "Ca-Mn-O-P",
"density": 3.038668116714863,
"density_atomic": 0.07621600844416296,
"volume": 1180.854282941561,
"volume_molar": 7.901411898803276,
"formula_full": "Ca18 Mn2 P14 O56",
"formula_reduced": "Ca9Mn(PO4)7",
"formula_anonymous": "AB7C9D28",
"energy": -694.6628193,
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"updated_at": "2021-11-28T01:36:21.553000Z",
"spacegroup": 161
}
]
}