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{
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{
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.391248 4.903193 0.000000\n-4.391248 4.903193 0.000000\n0.000000 0.866069 4.974303\nLi Mn Co O\n7 2 3 12\ndirect\n0.242958 0.244926 0.758433 Li\n0.588392 0.914657 0.753549 Li\n0.085343 0.411608 0.246451 Li\n0.421246 0.083766 0.251748 Li\n0.916234 0.578754 0.748252 Li\n0.755074 0.757042 0.241567 Li\n0.835343 0.164657 0.000000 Li\n0.998694 0.001306 0.500000 Mn\n0.503915 0.496085 0.000000 Mn\n0.334847 0.665153 0.500000 Co\n0.676204 0.323796 0.500000 Co\n0.158060 0.841940 0.000000 Co\n0.277597 0.947046 0.622833 O\n0.611258 0.610514 0.648607 O\n0.121783 0.104329 0.150150 O\n0.445533 0.768459 0.123738 O\n0.959233 0.269921 0.610221 O\n0.764733 0.456089 0.141041 O\n0.231541 0.554467 0.876262 O\n0.543911 0.235267 0.858959 O\n0.052954 0.722403 0.377167 O\n0.389486 0.388742 0.351393 O\n0.895671 0.878217 0.849850 O\n0.730079 0.040767 0.389779 O\n",
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.087342307982008,
"density_atomic": 0.11204231066836293,
"volume": 214.20479332167872,
"volume_molar": 5.374880903541071,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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"updated_at": "2021-11-28T01:37:55.418000Z",
"spacegroup": 5
},
{
"id": "mp-759838",
"created_at": "2022-09-04T14:47:02.643045Z",
"structure_string": "Na2 Sn4 P6 O24\n1.0\n8.615447 0.000000 0.000000\n4.306216 7.501058 0.000000\n4.262312 2.481564 7.692428\nNa Sn P O\n2 4 6 24\ndirect\n0.835202 0.518828 0.438135 Na\n0.164798 0.481172 0.561865 Na\n0.147030 0.652079 0.064374 Sn\n0.649016 0.146687 0.557994 Sn\n0.350984 0.853313 0.442006 Sn\n0.852970 0.347921 0.935626 Sn\n0.539608 0.459606 0.747705 P\n0.747552 0.970246 0.244390 P\n0.035791 0.251055 0.247306 P\n0.964209 0.748945 0.752694 P\n0.252448 0.029754 0.755610 P\n0.460392 0.540394 0.252295 P\n0.889388 0.769698 0.235224 O\n0.533272 0.632032 0.579988 O\n0.390190 0.510825 0.910233 O\n0.741632 0.395391 0.754260 O\n0.106656 0.396893 0.227254 O\n0.793442 0.109121 0.060809 O\n0.520690 0.302576 0.728061 O\n0.224075 0.994784 0.620594 O\n0.842720 0.282909 0.393994 O\n0.544321 0.983504 0.297330 O\n0.013748 0.290144 0.074573 O\n0.172787 0.050607 0.299082 O\n0.827213 0.949393 0.700918 O\n0.986252 0.709856 0.925427 O\n0.455679 0.016496 0.702670 O\n0.157280 0.717091 0.606006 O\n0.775925 0.005216 0.379406 O\n0.479310 0.697424 0.271939 O\n0.206558 0.890879 0.939191 O\n0.893344 0.603107 0.772746 O\n0.258368 0.604609 0.245740 O\n0.609810 0.489175 0.089767 O\n0.466728 0.367968 0.420012 O\n0.110612 0.230302 0.764776 O\n",
"nsites": 36,
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"elements": [
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"P",
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],
"chemical_system": "Na-O-P-Sn",
"density": 3.6430892495240887,
"density_atomic": 0.07241669863268443,
"volume": 497.1229105955379,
"volume_molar": 8.315955951742291,
"formula_full": "Na2 Sn4 P6 O24",
"formula_reduced": "NaSn2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -259.9333051,
"energy_per_atom": -7.220369586111111,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -243.4453051,
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"updated_at": "2021-11-28T01:37:43.313000Z",
"spacegroup": 2
},
{
"id": "mp-1221428",
"created_at": "2022-09-04T14:41:18.432586Z",
"structure_string": "Na4 Al4 B4 O14\n1.0\n4.206199 2.444394 0.000000\n-4.206199 2.444394 0.000000\n0.000000 0.023544 15.574833\nNa Al B O\n4 4 4 14\ndirect\n0.998197 0.998916 0.500011 Na\n0.998916 0.998197 0.000011 Na\n0.004121 0.007539 0.250003 Na\n0.007539 0.004121 0.750003 Na\n0.322387 0.661003 0.861114 Al\n0.661003 0.322387 0.361114 Al\n0.662926 0.323025 0.138892 Al\n0.323025 0.662926 0.638892 Al\n0.331711 0.663931 0.395865 B\n0.663931 0.331711 0.895865 B\n0.663545 0.331183 0.604141 B\n0.331183 0.663545 0.104141 B\n0.645944 0.290600 0.250005 O\n0.290600 0.645944 0.750005 O\n0.391962 0.354677 0.605432 O\n0.641540 0.036622 0.608073 O\n0.956648 0.601421 0.598814 O\n0.036622 0.641540 0.108073 O\n0.354677 0.391962 0.105432 O\n0.601421 0.956648 0.098814 O\n0.603762 0.640735 0.392261 O\n0.354676 0.957981 0.401250 O\n0.038264 0.392706 0.394140 O\n0.957981 0.354676 0.901250 O\n0.640735 0.603762 0.892261 O\n0.392706 0.038264 0.894140 O\n",
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"nelements": 4,
"elements": [
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"Al",
"B",
"O"
],
"chemical_system": "Al-B-Na-O",
"density": 2.4219429763203486,
"density_atomic": 0.08118184717122161,
"volume": 320.268642633409,
"volume_molar": 7.418087872894332,
"formula_full": "Na4 Al4 B4 O14",
"formula_reduced": "Na2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -192.94910765,
"energy_per_atom": -7.421119525,
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"updated_at": "2021-11-28T01:35:15.536000Z",
"spacegroup": 9
}
]
}