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{
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{
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{
"id": "mp-753867",
"created_at": "2022-09-04T14:43:16.002870Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n6.205853 0.001010 -0.113484\n-0.886969 6.142141 0.113484\n2.433352 3.267329 7.987549\nLi Mn P O\n2 2 4 16\ndirect\n0.162071 0.392979 0.491667 Li\n0.615354 0.346262 0.991667 Li\n0.147301 0.898793 0.752544 Mn\n0.848663 0.100155 0.252544 Mn\n0.287090 0.980933 0.354644 P\n0.164423 0.358266 0.854644 P\n0.841255 0.641611 0.150048 P\n0.708340 0.008697 0.650048 P\n0.054283 0.785021 0.992276 O\n0.156009 0.117906 0.243445 O\n0.241443 0.722516 0.390771 O\n0.138648 0.600546 0.743445 O\n0.248337 0.056509 0.507365 O\n0.158683 0.224395 0.733765 O\n0.626981 0.566248 0.104812 O\n0.541840 0.107552 0.233765 O\n0.455754 0.936575 0.761769 O\n0.386714 0.367786 0.890771 O\n0.801656 0.782477 0.261769 O\n0.722703 0.953440 0.492276 O\n0.888062 0.409883 0.261201 O\n0.828941 0.268207 0.604812 O\n0.828915 0.850737 0.761201 O\n0.936126 0.244298 0.007365 O\n",
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"elements": [
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],
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"formula_full": "Li2 Mn2 P4 O16",
"formula_reduced": "LiMn(PO4)2",
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"updated_at": "2021-11-28T01:36:05.443000Z",
"spacegroup": 9
},
{
"id": "mp-774945",
"created_at": "2022-09-04T14:43:16.005040Z",
"structure_string": "Mn1 V3 O8\n1.0\n5.691000 0.000000 0.000000\n-0.059210 5.702189 0.000000\n-0.041983 -0.036449 7.579292\nMn V O\n1 3 8\ndirect\n0.069184 0.511240 0.876670 Mn\n0.936004 0.013823 0.129134 V\n0.565882 0.494593 0.619519 V\n0.438199 0.994462 0.375957 V\n0.961411 0.301455 0.078215 O\n0.854173 0.453978 0.664092 O\n0.639483 0.941834 0.197432 O\n0.517289 0.790817 0.547028 O\n0.469886 0.296056 0.447575 O\n0.405909 0.449987 0.805386 O\n0.135223 0.951640 0.307955 O\n0.007357 0.848515 0.951037 O\n",
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"elements": [
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"V",
"O"
],
"chemical_system": "Mn-O-V",
"density": 2.266816182121845,
"density_atomic": 0.0487890558015312,
"volume": 245.95679918083988,
"volume_molar": 12.343220546217253,
"formula_full": "Mn1 V3 O8",
"formula_reduced": "MnV3O8",
"formula_anonymous": "AB3C8",
"energy": -103.72372524,
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"energy_uncorrected": -91.45972524,
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"updated_at": "2021-11-28T01:36:01.508000Z",
"spacegroup": 1
},
{
"id": "mp-1238514",
"created_at": "2022-09-04T14:43:16.006296Z",
"structure_string": "Cs2 Ti2 H20 C8 O26\n1.0\n11.518399 0.000000 0.000000\n0.000000 6.766984 0.000000\n0.000000 0.719657 8.017572\nCs Ti H C O\n2 2 20 8 26\ndirect\n0.250000 0.953295 0.716662 Cs\n0.750000 0.046705 0.283338 Cs\n0.750000 0.342182 0.775971 Ti\n0.250000 0.657818 0.224029 Ti\n0.678863 0.661295 0.568849 H\n0.178863 0.338705 0.431151 H\n0.321137 0.338705 0.431151 H\n0.821137 0.661295 0.568849 H\n0.677700 0.966263 0.868448 H\n0.177700 0.033737 0.131552 H\n0.322300 0.033737 0.131552 H\n0.822300 0.966263 0.868448 H\n0.681269 0.530053 0.058034 H\n0.181269 0.469947 0.941966 H\n0.318731 0.469947 0.941966 H\n0.818731 0.530053 0.058034 H\n0.536259 0.826558 0.724557 H\n0.036259 0.173442 0.275443 H\n0.463741 0.173442 0.275443 H\n0.963741 0.826558 0.724557 H\n0.521932 0.760836 0.916305 H\n0.021932 0.239164 0.083695 H\n0.478068 0.239164 0.083695 H\n0.978068 0.760836 0.916305 H\n0.490547 0.340765 0.758731 C\n0.990547 0.659235 0.241269 C\n0.509453 0.659235 0.241269 C\n0.009453 0.340765 0.758731 C\n0.530396 0.273166 0.592230 C\n0.030396 0.726834 0.407770 C\n0.469604 0.726834 0.407770 C\n0.969604 0.273166 0.592230 C\n0.750000 0.617061 0.632584 O\n0.250000 0.382939 0.367416 O\n0.750000 0.047264 0.882714 O\n0.250000 0.952736 0.117286 O\n0.750000 0.472084 0.002727 O\n0.250000 0.527916 0.997273 O\n0.576118 0.377630 0.854765 O\n0.076118 0.622370 0.145235 O\n0.423882 0.622370 0.145235 O\n0.923882 0.377630 0.854765 O\n0.640628 0.250528 0.582796 O\n0.140628 0.749472 0.417204 O\n0.359372 0.749472 0.417204 O\n0.859372 0.250528 0.582796 O\n0.385045 0.353831 0.792574 O\n0.885045 0.646169 0.207426 O\n0.614955 0.646169 0.207426 O\n0.114955 0.353831 0.792574 O\n0.458291 0.244360 0.478457 O\n0.958291 0.755640 0.521543 O\n0.541709 0.755640 0.521543 O\n0.041709 0.244360 0.478457 O\n0.541888 0.874415 0.837585 O\n0.041888 0.125585 0.162415 O\n0.458112 0.125585 0.162415 O\n0.958112 0.874415 0.837585 O\n",
"nsites": 58,
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"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cs-H-O-Ti",
"density": 2.374906595045386,
"density_atomic": 0.09281065907157092,
"volume": 624.928220316519,
"volume_molar": 6.488630530417876,
"formula_full": "Cs2 Ti2 H20 C8 O26",
"formula_reduced": "CsTiH10C4O13",
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"energy": -380.35586731,
"energy_per_atom": -6.557859781206897,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:16.068000Z",
"spacegroup": 11
}
]
}