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{
"id": "mp-1196484",
"created_at": "2022-09-04T14:39:05.799479Z",
"structure_string": "Pr4 Er11 S22\n1.0\n1.974079 19.588098 0.000000\n-1.974079 19.588098 0.000000\n0.000000 0.281057 11.359456\nPr Er S\n4 11 22\ndirect\n0.104152 0.104152 0.987422 Pr\n0.895848 0.895848 0.012578 Pr\n0.367168 0.367168 0.652180 Pr\n0.632832 0.632832 0.347820 Pr\n0.798000 0.798000 0.942213 Er\n0.202000 0.202000 0.057787 Er\n0.461808 0.461808 0.728522 Er\n0.538192 0.538192 0.271478 Er\n0.657674 0.657674 0.698061 Er\n0.342326 0.342326 0.301939 Er\n0.264108 0.264108 0.647981 Er\n0.735892 0.735892 0.352019 Er\n0.069340 0.069340 0.640102 Er\n0.930660 0.930660 0.359898 Er\n0.000000 0.000000 0.000000 Er\n0.087254 0.087254 0.247533 S\n0.912746 0.912746 0.752467 S\n0.188827 0.188827 0.307757 S\n0.811173 0.811173 0.692243 S\n0.279998 0.279998 0.409944 S\n0.720002 0.720002 0.590056 S\n0.445784 0.445784 0.504547 S\n0.554216 0.554216 0.495453 S\n0.134367 0.134367 0.546643 S\n0.865633 0.865633 0.453357 S\n0.592901 0.592901 0.787553 S\n0.407099 0.407099 0.212447 S\n0.453232 0.453232 0.968522 S\n0.546768 0.546768 0.031478 S\n0.350584 0.350584 0.908164 S\n0.649416 0.649416 0.091836 S\n0.168373 0.168373 0.848389 S\n0.831627 0.831627 0.151611 S\n0.007774 0.007774 0.761271 S\n0.992226 0.992226 0.238729 S\n0.255250 0.255250 0.880764 S\n0.744750 0.744750 0.119236 S\n",
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"formula_full": "Pr4 Er11 S22",
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"spacegroup": 12
},
{
"id": "mp-1198345",
"created_at": "2022-09-04T14:39:05.799149Z",
"structure_string": "Fe20 Si12 O48\n1.0\n4.893211 0.000000 0.000000\n0.000000 10.401521 0.000000\n0.000000 0.000000 17.852616\nFe Si O\n20 12 48\ndirect\n0.994672 0.729699 0.080476 Fe\n0.505328 0.229699 0.419524 Fe\n0.005328 0.270301 0.580476 Fe\n0.494672 0.770301 0.919524 Fe\n0.005328 0.270301 0.919524 Fe\n0.494672 0.770301 0.580476 Fe\n0.994672 0.729699 0.419524 Fe\n0.505328 0.229699 0.080476 Fe\n0.482566 0.783113 0.250000 Fe\n0.017434 0.283113 0.250000 Fe\n0.517434 0.216887 0.750000 Fe\n0.982566 0.716887 0.750000 Fe\n0.502929 0.507702 0.159132 Fe\n0.997071 0.007702 0.340868 Fe\n0.497071 0.492298 0.659132 Fe\n0.002929 0.992298 0.840868 Fe\n0.497071 0.492298 0.840868 Fe\n0.002929 0.992298 0.659132 Fe\n0.502929 0.507702 0.340868 Fe\n0.997071 0.007702 0.159132 Fe\n0.931782 0.600051 0.250000 Si\n0.568218 0.100051 0.250000 Si\n0.068218 0.399949 0.750000 Si\n0.431782 0.899949 0.750000 Si\n0.064493 0.406188 0.080122 Si\n0.435507 0.906188 0.419878 Si\n0.935507 0.593812 0.580122 Si\n0.564493 0.093812 0.919878 Si\n0.935507 0.593812 0.919878 Si\n0.564493 0.093812 0.580122 Si\n0.064493 0.406188 0.419878 Si\n0.435507 0.906188 0.080122 Si\n0.266573 0.596072 0.250000 O\n0.233427 0.096072 0.250000 O\n0.733427 0.403928 0.750000 O\n0.766573 0.903928 0.750000 O\n0.766283 0.894193 0.086562 O\n0.733717 0.394193 0.413438 O\n0.233717 0.105807 0.586562 O\n0.266283 0.605807 0.913438 O\n0.233717 0.105807 0.913438 O\n0.266283 0.605807 0.586562 O\n0.766283 0.894193 0.413438 O\n0.733717 0.394193 0.086562 O\n0.327149 0.055571 0.084968 O\n0.172851 0.555571 0.415032 O\n0.672851 0.944429 0.584968 O\n0.827149 0.444429 0.915032 O\n0.672851 0.944429 0.915032 O\n0.827149 0.444429 0.584968 O\n0.327149 0.055571 0.415032 O\n0.172851 0.555571 0.084968 O\n0.296409 0.822554 0.011366 O\n0.203591 0.322554 0.488634 O\n0.703591 0.177446 0.511366 O\n0.796409 0.677446 0.988634 O\n0.703591 0.177446 0.988634 O\n0.796409 0.677446 0.511366 O\n0.296409 0.822554 0.488634 O\n0.203591 0.322554 0.011366 O\n0.270493 0.833828 0.151045 O\n0.229507 0.333828 0.348955 O\n0.729507 0.166172 0.651045 O\n0.770493 0.666172 0.848955 O\n0.729507 0.166172 0.848955 O\n0.770493 0.666172 0.651045 O\n0.270493 0.833828 0.348955 O\n0.229507 0.333828 0.151045 O\n0.790529 0.672674 0.176484 O\n0.709471 0.172674 0.323516 O\n0.209471 0.327326 0.676484 O\n0.290529 0.827326 0.823516 O\n0.209471 0.327326 0.823516 O\n0.290529 0.827326 0.676484 O\n0.790529 0.672674 0.323516 O\n0.709471 0.172674 0.176484 O\n0.210880 0.543416 0.750000 O\n0.289120 0.043416 0.750000 O\n0.789120 0.456584 0.250000 O\n0.710880 0.956584 0.250000 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-O-Si",
"density": 4.060508293828946,
"density_atomic": 0.0880435062829577,
"volume": 908.6416861101923,
"volume_molar": 6.839960167699144,
"formula_full": "Fe20 Si12 O48",
"formula_reduced": "Fe5(SiO4)3",
"formula_anonymous": "A3B5C12",
"energy": -658.7762848299999,
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"updated_at": "2021-11-28T01:34:28.919000Z",
"spacegroup": 62
},
{
"id": "mp-505780",
"created_at": "2022-09-04T14:39:05.796975Z",
"structure_string": "Ge14 Ir6\n1.0\n-4.398879 4.398879 4.398879\n4.398879 -4.398879 4.398879\n4.398879 4.398879 -4.398879\nGe Ir\n14 6\ndirect\n0.750000 0.250000 0.500000 Ge\n0.500000 0.250000 0.750000 Ge\n0.500000 0.750000 0.250000 Ge\n0.250000 0.500000 0.750000 Ge\n0.750000 0.500000 0.250000 Ge\n0.250000 0.750000 0.500000 Ge\n0.334635 0.334635 0.334635 Ge\n0.000000 0.000000 0.334635 Ge\n0.334635 0.000000 0.000000 Ge\n0.000000 0.334635 0.000000 Ge\n0.665365 0.000000 0.000000 Ge\n0.000000 0.665365 0.000000 Ge\n0.000000 0.000000 0.665365 Ge\n0.665365 0.665365 0.665365 Ge\n0.339748 0.339748 0.000000 Ir\n0.000000 0.339748 0.339748 Ir\n0.000000 0.660252 0.660252 Ir\n0.660252 0.000000 0.660252 Ir\n0.339748 0.000000 0.339748 Ir\n0.660252 0.660252 0.000000 Ir\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir",
"density": 10.584618864553867,
"density_atomic": 0.058741354468098916,
"volume": 340.47563562501,
"volume_molar": 10.251961015421402,
"formula_full": "Ge14 Ir6",
"formula_reduced": "Ge7Ir3",
"formula_anonymous": "A3B7",
"energy": -123.17905372,
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"updated_at": "2021-11-28T01:34:43.287000Z",
"spacegroup": 229
},
{
"id": "mp-753303",
"created_at": "2022-09-04T14:39:05.796768Z",
"structure_string": "Mg22 Mn4 O26\n1.0\n4.302114 -2.148576 -2.148576\n-2.151056 12.925161 -15.073737\n4.302114 2.148576 2.148576\nMg Mn O\n22 4 26\ndirect\n0.500000 0.307692 0.653846 Mg\n0.000000 0.307692 0.153846 Mg\n0.500000 0.156039 0.578019 Mg\n0.000000 0.156039 0.078019 Mg\n0.500000 0.459346 0.729673 Mg\n0.000000 0.459346 0.229673 Mg\n0.500000 0.770635 0.885318 Mg\n0.000000 0.770635 0.385318 Mg\n0.500000 0.844750 0.422375 Mg\n0.000000 0.844750 0.922375 Mg\n0.500000 0.921744 0.960871 Mg\n0.000000 0.921744 0.460871 Mg\n0.500000 0.693641 0.346821 Mg\n0.000000 0.693641 0.846821 Mg\n0.500000 0.231508 0.115754 Mg\n0.000000 0.231508 0.615754 Mg\n0.500000 0.383877 0.191938 Mg\n0.000000 0.383877 0.691938 Mg\n0.500000 0.079156 0.039578 Mg\n0.000000 0.079156 0.539578 Mg\n0.500000 0.536229 0.268114 Mg\n0.000000 0.536229 0.768114 Mg\n0.000000 0.615218 0.307609 Mn\n0.500000 0.000166 0.500083 Mn\n0.500000 0.615218 0.807609 Mn\n0.000000 0.000166 0.000083 Mn\n0.750000 0.307692 0.903846 O\n0.250000 0.307692 0.403846 O\n0.250000 0.082228 0.791114 O\n0.750000 0.082228 0.291114 O\n0.250000 0.533157 0.016578 O\n0.750000 0.533157 0.516578 O\n0.250000 0.383482 0.941740 O\n0.750000 0.383482 0.441740 O\n0.250000 0.231903 0.865952 O\n0.750000 0.231903 0.365952 O\n0.250000 0.697169 0.098584 O\n0.750000 0.697169 0.598584 O\n0.750000 0.918216 0.209109 O\n0.250000 0.918216 0.709109 O\n0.250000 0.846501 0.173251 O\n0.750000 0.846501 0.673251 O\n0.750000 0.768883 0.134442 O\n0.250000 0.768883 0.634442 O\n0.750000 0.460393 0.980197 O\n0.250000 0.460393 0.480197 O\n0.750000 0.154992 0.827495 O\n0.250000 0.154992 0.327495 O\n0.750000 0.615025 0.057513 O\n0.250000 0.615025 0.557513 O\n0.750000 0.000360 0.750179 O\n0.250000 0.000360 0.250179 O\n",
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"elements": [
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],
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"density": 3.7548891949144627,
"density_atomic": 0.10046152695368656,
"volume": 517.6110853259512,
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"formula_full": "Mg22 Mn4 O26",
"formula_reduced": "Mg11Mn2O13",
"formula_anonymous": "A2B11C13",
"energy": -350.12207695,
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"updated_at": "2021-11-28T01:34:29.467000Z",
"spacegroup": 71
},
{
"id": "mp-1080265",
"created_at": "2022-09-04T14:39:05.793581Z",
"structure_string": "Ce3 Se6\n1.0\n4.057141 -7.027174 0.000000\n4.057141 7.027174 0.000000\n0.000000 0.000000 8.436862\nCe Se\n3 6\ndirect\n0.455092 0.000000 0.833333 Ce\n0.544908 0.544908 0.500000 Ce\n0.000000 0.455092 0.166667 Ce\n0.107291 0.713131 0.926331 Se\n0.605840 0.892709 0.592997 Se\n0.286869 0.394160 0.259664 Se\n0.892709 0.605840 0.407003 Se\n0.713131 0.107291 0.073669 Se\n0.394160 0.286869 0.740336 Se\n",
"nsites": 9,
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"elements": [
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"density": 3.086223177979386,
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"volume": 481.07384921256977,
"volume_molar": 32.18993817681233,
"formula_full": "Ce3 Se6",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:24.193000Z",
"spacegroup": 152
},
{
"id": "mp-1175215",
"created_at": "2022-09-04T14:39:05.792217Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.958632 0.000000 0.000000\n-0.302531 5.982759 0.000000\n-1.450416 -1.562202 6.116340\nLi Mn Co O\n7 4 1 12\ndirect\n0.500799 0.000108 0.003852 Li\n0.164593 0.662104 0.670001 Li\n0.837610 0.823779 0.326200 Li\n0.498230 0.503702 0.002729 Li\n0.834815 0.338129 0.326528 Li\n0.163296 0.173844 0.671070 Li\n0.000973 0.500753 0.999663 Li\n0.001443 0.999480 0.001729 Mn\n0.671905 0.166276 0.669014 Mn\n0.674091 0.659821 0.667020 Mn\n0.324912 0.341235 0.332176 Mn\n0.327397 0.834402 0.331097 Co\n0.244983 0.241436 0.018863 O\n0.927323 0.905331 0.683689 O\n0.553873 0.085833 0.345770 O\n0.232297 0.778357 0.020489 O\n0.585147 0.573168 0.345698 O\n0.891368 0.410733 0.664337 O\n0.755678 0.757715 0.981959 O\n0.411498 0.425060 0.653420 O\n0.113165 0.590689 0.332755 O\n0.769585 0.220368 0.985384 O\n0.076319 0.097144 0.317782 O\n0.438699 0.910534 0.648775 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.954563940908926,
"density_atomic": 0.1100706545389437,
"volume": 218.04176690444453,
"volume_molar": 5.4711592160736435,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -165.73759025,
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"updated_at": "2021-11-28T01:34:36.347000Z",
"spacegroup": 1
},
{
"id": "mp-860799",
"created_at": "2022-09-04T14:39:05.773095Z",
"structure_string": "Li8 Mn2 P12 O36\n1.0\n3.930726 6.241563 0.000000\n-3.930726 6.241563 0.000000\n0.000000 1.012806 13.995371\nLi Mn P O\n8 2 12 36\ndirect\n0.960318 0.700306 0.924336 Li\n0.700306 0.960318 0.424336 Li\n0.783216 0.558363 0.547251 Li\n0.558363 0.783216 0.047251 Li\n0.441637 0.216784 0.952749 Li\n0.216784 0.441637 0.452749 Li\n0.299694 0.039682 0.575664 Li\n0.039682 0.299694 0.075664 Li\n0.374509 0.625491 0.750000 Mn\n0.625491 0.374509 0.250000 Mn\n0.962662 0.853089 0.613034 P\n0.853089 0.962662 0.113034 P\n0.630640 0.908276 0.750821 P\n0.908276 0.630640 0.250821 P\n0.770633 0.398570 0.890375 P\n0.398570 0.770633 0.390375 P\n0.601430 0.229367 0.609625 P\n0.229367 0.601430 0.109625 P\n0.091724 0.369360 0.749179 P\n0.369360 0.091724 0.249179 P\n0.146911 0.037338 0.886966 P\n0.037338 0.146911 0.386966 P\n0.864658 0.816100 0.713866 O\n0.913003 0.753415 0.534934 O\n0.816100 0.864658 0.213866 O\n0.753415 0.913003 0.034934 O\n0.629908 0.901567 0.856865 O\n0.901567 0.629908 0.356865 O\n0.812938 0.504168 0.968559 O\n0.522875 0.813398 0.698189 O\n0.859330 0.447453 0.788520 O\n0.504168 0.812938 0.468559 O\n0.813398 0.522875 0.198189 O\n0.447453 0.859330 0.288520 O\n0.904261 0.157463 0.902055 O\n0.188506 0.823770 0.869541 O\n0.559530 0.428884 0.874057 O\n0.157463 0.904261 0.402055 O\n0.571116 0.440470 0.625943 O\n0.823770 0.188506 0.369541 O\n0.176230 0.811494 0.630459 O\n0.428884 0.559530 0.374057 O\n0.842537 0.095739 0.597945 O\n0.440470 0.571116 0.125943 O\n0.811494 0.176230 0.130459 O\n0.095739 0.842537 0.097945 O\n0.552547 0.140670 0.711480 O\n0.186602 0.477125 0.801811 O\n0.495832 0.187062 0.531441 O\n0.140670 0.552547 0.211480 O\n0.477125 0.186602 0.301811 O\n0.187062 0.495832 0.031441 O\n0.098433 0.370092 0.643135 O\n0.370092 0.098433 0.143135 O\n0.246585 0.086997 0.965066 O\n0.183900 0.135342 0.786134 O\n0.086997 0.246585 0.465066 O\n0.135342 0.183900 0.286134 O\n",
"nsites": 58,
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"elements": [
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"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.69147351630889,
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"volume": 686.7213364074985,
"volume_molar": 7.130228535760808,
"formula_full": "Li8 Mn2 P12 O36",
"formula_reduced": "Li4Mn(PO3)6",
"formula_anonymous": "AB4C6D18",
"energy": -427.89904516,
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"updated_at": "2021-11-28T01:34:28.766000Z",
"spacegroup": 15
},
{
"id": "mp-726237",
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{
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],
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{
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}
]
}