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{
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{
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{
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{
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{
"id": "mp-1371368",
"created_at": "2022-09-04T14:48:08.811163Z",
"structure_string": "Ca4 Co4 O10\n1.0\n3.749609 0.000000 0.000000\n0.000000 5.427830 0.000000\n0.000000 0.000000 10.276333\nCa Co O\n4 4 10\ndirect\n0.500000 0.692283 0.368559 Ca\n0.500000 0.307717 0.631441 Ca\n0.500000 0.192283 0.131441 Ca\n0.500000 0.807717 0.868559 Ca\n0.000000 0.722384 0.122735 Co\n0.000000 0.277616 0.877265 Co\n0.000000 0.777616 0.622735 Co\n0.000000 0.222384 0.377265 Co\n0.000000 0.000000 0.000000 O\n0.000000 0.578686 0.789643 O\n0.000000 0.078686 0.710357 O\n0.000000 0.921314 0.289643 O\n0.500000 0.787707 0.605190 O\n0.500000 0.212293 0.394810 O\n0.000000 0.421314 0.210357 O\n0.500000 0.712293 0.105190 O\n0.000000 0.500000 0.500000 O\n0.500000 0.287707 0.894810 O\n",
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{
"id": "mp-1208681",
"created_at": "2022-09-04T14:48:08.684190Z",
"structure_string": "Sr4 Mn4 Sb8\n1.0\n4.451070 0.000000 0.000000\n0.000000 4.515819 0.000000\n0.000000 0.000000 22.626019\nSr Mn Sb\n4 4 8\ndirect\n0.250000 0.725031 0.118859 Sr\n0.750000 0.274969 0.881141 Sr\n0.750000 0.225031 0.381141 Sr\n0.250000 0.774969 0.618859 Sr\n0.250000 0.223421 0.250058 Mn\n0.750000 0.776579 0.749942 Mn\n0.750000 0.723421 0.249942 Mn\n0.250000 0.276579 0.750058 Mn\n0.250000 0.725536 0.319157 Sb\n0.750000 0.274464 0.680843 Sb\n0.750000 0.225536 0.180843 Sb\n0.250000 0.774464 0.819157 Sb\n0.250000 0.214693 0.001622 Sb\n0.750000 0.785307 0.998378 Sb\n0.750000 0.714693 0.498378 Sb\n0.250000 0.285307 0.501622 Sb\n",
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{
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"structure_string": "Ge6 Mo10\n1.0\n0.000000 0.000000 -5.129205\n-3.738022 -6.474444 0.000000\n-3.741179 6.476267 0.000000\nGe Mo\n6 10\ndirect\n0.750003 0.606437 0.000000 Ge\n0.749999 0.392333 0.392040 Ge\n0.749999 0.000294 0.607960 Ge\n0.250003 0.393563 0.000000 Ge\n0.249999 0.607667 0.607960 Ge\n0.249999 0.999706 0.392040 Ge\n0.499999 0.332938 0.665876 Mo\n0.499999 0.667062 0.334124 Mo\n0.999999 0.667062 0.334124 Mo\n0.999999 0.332938 0.665876 Mo\n0.749997 0.232654 0.000000 Mo\n0.750002 0.766479 0.767774 Mo\n0.750002 0.998705 0.232226 Mo\n0.249997 0.767346 0.000000 Mo\n0.250002 0.233521 0.232226 Mo\n0.250002 0.001295 0.767774 Mo\n",
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"id": "mp-1106031",
"created_at": "2022-09-04T14:48:08.745695Z",
"structure_string": "Na1 Mn3 V4 O12\n1.0\n-3.742249 3.769956 -3.741616\n3.769169 -3.743995 -3.742550\n-3.715895 -3.717630 -3.715695\nNa Mn V O\n1 3 4 12\ndirect\n0.000003 0.000001 0.999999 Na\n0.500010 0.000024 0.499974 Mn\n0.499946 0.499998 0.000043 Mn\n0.999975 0.499957 0.500001 Mn\n0.999996 0.999986 0.500005 V\n0.000003 0.500006 0.999988 V\n0.500017 0.500010 0.500006 V\n0.500006 0.000011 0.999996 V\n0.118826 0.806871 0.700038 O\n0.492473 0.186254 0.690289 O\n0.507534 0.813749 0.309708 O\n0.881184 0.193134 0.299961 O\n0.687939 0.880950 0.818993 O\n0.693704 0.507506 0.182558 O\n0.306298 0.492495 0.817446 O\n0.312064 0.119055 0.181009 O\n0.193299 0.311971 0.506964 O\n0.813726 0.306148 0.876607 O\n0.186283 0.693850 0.123389 O\n0.806714 0.688024 0.493026 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Mn",
"V",
"O"
],
"chemical_system": "Mn-Na-O-V",
"density": 4.620639755281059,
"density_atomic": 0.09536642013989748,
"volume": 209.71742433721494,
"volume_molar": 6.314739245916791,
"formula_full": "Na1 Mn3 V4 O12",
"formula_reduced": "NaMn3V4O12",
"formula_anonymous": "AB3C4D12",
"energy": -170.37944501,
"energy_per_atom": -8.518972250500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.33144501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000412,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.265000Z",
"spacegroup": 204
}
]
}