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{
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"results": [
{
"id": "mp-774831",
"created_at": "2022-09-04T14:44:06.391940Z",
"structure_string": "Ti3 V2 Co1 P6 O24\n1.0\n7.390882 -4.343588 0.000000\n7.390882 4.343588 0.000000\n4.838175 0.000000 7.077003\nTi V Co P O\n3 2 1 6 24\ndirect\n0.645320 0.645320 0.645320 Ti\n0.857435 0.857435 0.857435 Ti\n0.354612 0.354612 0.354612 Ti\n0.001116 0.001116 0.001116 V\n0.501187 0.501187 0.501187 V\n0.142801 0.142801 0.142801 Co\n0.955481 0.248511 0.541350 P\n0.541350 0.955481 0.248511 P\n0.248511 0.541350 0.955481 P\n0.749083 0.457946 0.044063 P\n0.457946 0.044063 0.749083 P\n0.044063 0.749083 0.457946 P\n0.494960 0.118744 0.314579 O\n0.314579 0.494960 0.118744 O\n0.118744 0.314579 0.494960 O\n0.941874 0.090109 0.740214 O\n0.987385 0.184119 0.391085 O\n0.760546 0.411829 0.567229 O\n0.740214 0.941874 0.090109 O\n0.567229 0.760546 0.411829 O\n0.815093 0.619511 0.998138 O\n0.411829 0.567229 0.760546 O\n0.903653 0.265245 0.052656 O\n0.619511 0.998138 0.815093 O\n0.391085 0.987385 0.184119 O\n0.090109 0.740214 0.941874 O\n0.586601 0.445460 0.238660 O\n0.184119 0.391085 0.987385 O\n0.445460 0.238660 0.586601 O\n0.265245 0.052656 0.903653 O\n0.238660 0.586601 0.445460 O\n0.998138 0.815093 0.619511 O\n0.052656 0.903653 0.265245 O\n0.886485 0.673009 0.513914 O\n0.673009 0.513914 0.886485 O\n0.513914 0.886485 0.673009 O\n",
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"formula_full": "Ti3 V2 Co1 P6 O24",
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},
{
"id": "mp-1228224",
"created_at": "2022-09-04T14:44:04.945048Z",
"structure_string": "Ba1 Mn5 O11\n1.0\n1.522964 6.880942 0.000000\n-1.522964 6.880942 0.000000\n0.000000 0.399491 9.588209\nBa Mn O\n1 5 11\ndirect\n0.749978 0.749978 0.115866 Ba\n0.996001 0.996001 0.268051 Mn\n0.002457 0.002457 0.731207 Mn\n0.658036 0.658036 0.486125 Mn\n0.341234 0.341234 0.516078 Mn\n0.499485 0.499485 0.997252 Mn\n0.071942 0.071942 0.088165 O\n0.930484 0.930484 0.916167 O\n0.901343 0.901343 0.420828 O\n0.098184 0.098184 0.576820 O\n0.421798 0.421798 0.170337 O\n0.568666 0.568666 0.819000 O\n0.231490 0.231490 0.394858 O\n0.770000 0.770000 0.596946 O\n0.576406 0.576406 0.335069 O\n0.431644 0.431644 0.657283 O\n0.250854 0.250854 0.909949 O\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "Ba-Mn-O",
"density": 4.858802526372966,
"density_atomic": 0.08459484498814074,
"volume": 200.95787163370548,
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"formula_full": "Ba1 Mn5 O11",
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"energy": -132.81135833,
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"updated_at": "2021-11-28T01:36:33.115000Z",
"spacegroup": 8
},
{
"id": "mp-1041225",
"created_at": "2022-09-04T14:44:04.951017Z",
"structure_string": "Ho2 Cr4 O12\n1.0\n5.118403 0.000000 0.000000\n0.000000 5.453247 0.000000\n0.000000 0.000000 7.441398\nHo Cr O\n2 4 12\ndirect\n0.016785 0.662010 0.000000 Ho\n0.516785 0.337990 0.500000 Ho\n0.023536 0.220617 0.755751 Cr\n0.023536 0.220617 0.244249 Cr\n0.523536 0.779383 0.255751 Cr\n0.523536 0.779383 0.744249 Cr\n0.095004 0.221982 0.500000 O\n0.194534 0.939200 0.805209 O\n0.194534 0.939200 0.194791 O\n0.278622 0.456290 0.788274 O\n0.278622 0.456290 0.211726 O\n0.415108 0.739518 0.500000 O\n0.595004 0.778018 0.000000 O\n0.694534 0.060800 0.305209 O\n0.694534 0.060800 0.694791 O\n0.778622 0.543710 0.711726 O\n0.778622 0.543710 0.288274 O\n0.915108 0.260482 0.000000 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 5.8348714766201555,
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"volume": 207.7036744440798,
"volume_molar": 6.949004243730352,
"formula_full": "Ho2 Cr4 O12",
"formula_reduced": "HoCr2O6",
"formula_anonymous": "AB2C6",
"energy": -149.17088803,
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"updated_at": "2021-11-28T01:36:32.251000Z",
"spacegroup": 31
},
{
"id": "mp-5434",
"created_at": "2022-09-04T14:44:04.213804Z",
"structure_string": "Y8 Fe56 B4\n1.0\n8.736038 0.000000 0.000000\n0.000000 8.736038 0.000000\n0.000000 0.000000 11.919578\nY Fe B\n8 56 4\ndirect\n0.733187 0.266813 0.000000 Y\n0.233187 0.233187 0.500000 Y\n0.766813 0.766813 0.500000 Y\n0.266813 0.733187 0.000000 Y\n0.856682 0.856682 0.000000 Y\n0.643318 0.356682 0.500000 Y\n0.356682 0.643318 0.500000 Y\n0.143318 0.143318 0.000000 Y\n0.140966 0.463177 0.325119 Fe\n0.859034 0.536823 0.325119 Fe\n0.463177 0.140966 0.674881 Fe\n0.963177 0.359034 0.825119 Fe\n0.036823 0.640966 0.825119 Fe\n0.359034 0.963177 0.174881 Fe\n0.640966 0.036823 0.174881 Fe\n0.536823 0.859034 0.674881 Fe\n0.859034 0.536823 0.674881 Fe\n0.140966 0.463177 0.674881 Fe\n0.536823 0.859034 0.325119 Fe\n0.036823 0.640966 0.174881 Fe\n0.963177 0.359034 0.174881 Fe\n0.640966 0.036823 0.825119 Fe\n0.359034 0.963177 0.825119 Fe\n0.463177 0.140966 0.325119 Fe\n0.066162 0.724589 0.373656 Fe\n0.933838 0.275411 0.373656 Fe\n0.724589 0.066162 0.626344 Fe\n0.224589 0.433838 0.873656 Fe\n0.775411 0.566162 0.873656 Fe\n0.433838 0.224589 0.126344 Fe\n0.566162 0.775411 0.126344 Fe\n0.275411 0.933838 0.626344 Fe\n0.933838 0.275411 0.626344 Fe\n0.066162 0.724589 0.626344 Fe\n0.275411 0.933838 0.373656 Fe\n0.775411 0.566162 0.126344 Fe\n0.224589 0.433838 0.126344 Fe\n0.566162 0.775411 0.873656 Fe\n0.433838 0.224589 0.873656 Fe\n0.724589 0.066162 0.373656 Fe\n0.597385 0.597385 0.700970 Fe\n0.402615 0.402615 0.700970 Fe\n0.597385 0.597385 0.299030 Fe\n0.097385 0.902615 0.200970 Fe\n0.902615 0.097385 0.200970 Fe\n0.902615 0.097385 0.799030 Fe\n0.097385 0.902615 0.799030 Fe\n0.402615 0.402615 0.299030 Fe\n0.817057 0.817057 0.745880 Fe\n0.182943 0.182943 0.745880 Fe\n0.817057 0.817057 0.254120 Fe\n0.317057 0.682943 0.245880 Fe\n0.682943 0.317057 0.245880 Fe\n0.682943 0.317057 0.754120 Fe\n0.317057 0.682943 0.754120 Fe\n0.182943 0.182943 0.254120 Fe\n0.000000 0.000000 0.615752 Fe\n0.500000 0.500000 0.115752 Fe\n0.500000 0.500000 0.884248 Fe\n0.000000 0.000000 0.384248 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.624567 0.624567 0.000000 B\n0.875433 0.124567 0.500000 B\n0.124567 0.875433 0.500000 B\n0.375433 0.375433 0.000000 B\n",
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],
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"volume": 909.682644106439,
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"formula_full": "Y8 Fe56 B4",
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"spacegroup": 136
},
{
"id": "mp-734713",
"created_at": "2022-09-04T14:44:04.243854Z",
"structure_string": "Mo24 P2 O80\n1.0\n0.000000 11.973154 11.973154\n11.973154 0.000000 11.973154\n11.973154 11.973154 0.000000\nMo P O\n24 2 80\ndirect\n0.246126 0.039184 0.468563 Mo\n0.246126 0.246126 0.468563 Mo\n0.039184 0.246126 0.468563 Mo\n0.246126 0.468563 0.039184 Mo\n0.039184 0.468563 0.246126 Mo\n0.246126 0.468563 0.246126 Mo\n0.468563 0.246126 0.246126 Mo\n0.468563 0.039184 0.246126 Mo\n0.468563 0.246126 0.039184 Mo\n0.039184 0.246126 0.246126 Mo\n0.246126 0.246126 0.039184 Mo\n0.246126 0.039184 0.246126 Mo\n0.003874 0.210816 0.781437 Mo\n0.003874 0.003874 0.781437 Mo\n0.210816 0.003874 0.781437 Mo\n0.003874 0.781437 0.210816 Mo\n0.210816 0.781437 0.003874 Mo\n0.003874 0.781437 0.003874 Mo\n0.781437 0.003874 0.003874 Mo\n0.781437 0.210816 0.003874 Mo\n0.781437 0.003874 0.210816 Mo\n0.210816 0.003874 0.003874 Mo\n0.003874 0.003874 0.210816 Mo\n0.003874 0.210816 0.003874 Mo\n0.250000 0.250000 0.250000 P\n0.000000 0.000000 0.000000 P\n0.212798 0.212798 0.361607 O\n0.212798 0.361607 0.212798 O\n0.361607 0.212798 0.212798 O\n0.212798 0.212798 0.212798 O\n0.037202 0.037202 0.888393 O\n0.037202 0.888393 0.037202 O\n0.888393 0.037202 0.037202 O\n0.037202 0.037202 0.037202 O\n0.376573 0.024748 0.222107 O\n0.376573 0.376573 0.222107 O\n0.024748 0.376573 0.222107 O\n0.376573 0.222107 0.024748 O\n0.024748 0.222107 0.376573 O\n0.376573 0.222107 0.376573 O\n0.222107 0.376573 0.376573 O\n0.222107 0.024748 0.376573 O\n0.222107 0.376573 0.024748 O\n0.024748 0.376573 0.376573 O\n0.376573 0.376573 0.024748 O\n0.376573 0.024748 0.376573 O\n0.873427 0.225252 0.027893 O\n0.873427 0.873427 0.027893 O\n0.225252 0.873427 0.027893 O\n0.873427 0.027893 0.225252 O\n0.225252 0.027893 0.873427 O\n0.873427 0.027893 0.873427 O\n0.027893 0.873427 0.873427 O\n0.027893 0.225252 0.873427 O\n0.027893 0.873427 0.225252 O\n0.225252 0.873427 0.873427 O\n0.873427 0.873427 0.225252 O\n0.873427 0.225252 0.873427 O\n0.108202 0.266400 0.517196 O\n0.108202 0.108202 0.517196 O\n0.266400 0.108202 0.517196 O\n0.108202 0.517196 0.266400 O\n0.266400 0.517196 0.108202 O\n0.108202 0.517196 0.108202 O\n0.517196 0.108202 0.108202 O\n0.517196 0.266400 0.108202 O\n0.517196 0.108202 0.266400 O\n0.266400 0.108202 0.108202 O\n0.108202 0.108202 0.266400 O\n0.108202 0.266400 0.108202 O\n0.141798 0.983600 0.732804 O\n0.141798 0.141798 0.732804 O\n0.983600 0.141798 0.732804 O\n0.141798 0.732804 0.983600 O\n0.983600 0.732804 0.141798 O\n0.141798 0.732804 0.141798 O\n0.732804 0.141798 0.141798 O\n0.732804 0.983600 0.141798 O\n0.732804 0.141798 0.983600 O\n0.983600 0.141798 0.141798 O\n0.141798 0.141798 0.983600 O\n0.141798 0.983600 0.141798 O\n0.258268 0.928159 0.555305 O\n0.258268 0.258268 0.555305 O\n0.928159 0.258268 0.555305 O\n0.258268 0.555305 0.928159 O\n0.928159 0.555305 0.258268 O\n0.258268 0.555305 0.258268 O\n0.555305 0.258268 0.258268 O\n0.555305 0.928159 0.258268 O\n0.555305 0.258268 0.928159 O\n0.928159 0.258268 0.258268 O\n0.258268 0.258268 0.928159 O\n0.258268 0.928159 0.258268 O\n0.991732 0.321841 0.694695 O\n0.991732 0.991732 0.694695 O\n0.321841 0.991732 0.694695 O\n0.991732 0.694695 0.321841 O\n0.321841 0.694695 0.991732 O\n0.991732 0.694695 0.991732 O\n0.694695 0.991732 0.991732 O\n0.694695 0.321841 0.991732 O\n0.694695 0.991732 0.321841 O\n0.321841 0.991732 0.991732 O\n0.991732 0.991732 0.321841 O\n0.991732 0.321841 0.991732 O\n",
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"elements": [
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"P",
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],
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"volume": 3432.856908259313,
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"formula_full": "Mo24 P2 O80",
"formula_reduced": "Mo12PO40",
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"energy": -865.1096161699999,
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},
{
"id": "mp-1043236",
"created_at": "2022-09-04T14:44:06.384607Z",
"structure_string": "Mg2 Fe4 O10\n1.0\n3.779315 0.000000 0.000000\n-1.889657 5.313453 0.000000\n0.000000 0.000000 10.931451\nMg Fe O\n2 4 10\ndirect\n0.880888 0.761776 0.750000 Mg\n0.119113 0.238225 0.250000 Mg\n0.203929 0.407858 0.599500 Fe\n0.796072 0.592143 0.400499 Fe\n0.796072 0.592143 0.099501 Fe\n0.203929 0.407858 0.900500 Fe\n0.696696 0.393392 0.250000 O\n0.303305 0.606609 0.750000 O\n0.238392 0.476782 0.079831 O\n0.761610 0.523219 0.920169 O\n0.761610 0.523219 0.579831 O\n0.238392 0.476782 0.420168 O\n0.040502 0.081002 0.651461 O\n0.959498 0.918997 0.348539 O\n0.040502 0.081002 0.848539 O\n0.959498 0.918997 0.151462 O\n",
"nsites": 16,
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],
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"formula_full": "Mg2 Fe4 O10",
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{
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