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"structure_string": "K12 Eu4 Si12 H8 O40\n1.0\n6.052561 0.000000 0.000000\n0.000000 13.340593 0.000000\n0.000000 0.000000 13.903493\nK Eu Si H O\n12 4 12 8 40\ndirect\n0.928387 0.624991 0.750000 K\n0.590949 0.637425 0.515600 K\n0.590949 0.637425 0.984400 K\n0.090949 0.862575 0.015600 K\n0.090949 0.862575 0.484400 K\n0.428387 0.875009 0.250000 K\n0.571613 0.124991 0.750000 K\n0.909051 0.137425 0.515600 K\n0.909051 0.137425 0.984400 K\n0.409051 0.362575 0.015600 K\n0.409051 0.362575 0.484400 K\n0.071613 0.375009 0.250000 K\n0.585486 0.542151 0.250000 Eu\n0.085486 0.957849 0.750000 Eu\n0.914514 0.042151 0.250000 Eu\n0.414514 0.457849 0.750000 Eu\n0.089975 0.598233 0.102888 Si\n0.089975 0.598233 0.397112 Si\n0.427713 0.748704 0.750000 Si\n0.927713 0.751296 0.250000 Si\n0.589975 0.901767 0.602888 Si\n0.589975 0.901767 0.897112 Si\n0.410025 0.098233 0.102888 Si\n0.410025 0.098233 0.397112 Si\n0.072287 0.248704 0.750000 Si\n0.572287 0.251296 0.250000 Si\n0.910025 0.401767 0.602888 Si\n0.910025 0.401767 0.897112 Si\n0.112094 0.572978 0.941387 H\n0.112094 0.572978 0.558613 H\n0.612094 0.927022 0.441387 H\n0.612094 0.927022 0.058613 H\n0.387906 0.072978 0.941387 H\n0.387906 0.072978 0.558613 H\n0.887906 0.427022 0.058613 H\n0.887906 0.427022 0.441387 H\n0.872736 0.530149 0.127777 O\n0.872736 0.530149 0.372223 O\n0.321306 0.542861 0.127458 O\n0.321306 0.542861 0.372542 O\n0.437036 0.628078 0.750000 O\n0.090459 0.632334 0.514127 O\n0.090459 0.632334 0.985873 O\n0.678430 0.707926 0.250000 O\n0.071263 0.710992 0.154472 O\n0.071263 0.710992 0.345528 O\n0.571263 0.789008 0.654472 O\n0.571263 0.789008 0.845528 O\n0.178430 0.792074 0.750000 O\n0.590459 0.867666 0.485873 O\n0.590459 0.867666 0.014127 O\n0.937036 0.871922 0.250000 O\n0.821306 0.957139 0.627458 O\n0.821306 0.957139 0.872542 O\n0.372736 0.969851 0.627777 O\n0.372736 0.969851 0.872223 O\n0.627264 0.030149 0.127777 O\n0.627264 0.030149 0.372223 O\n0.178694 0.042861 0.127458 O\n0.178694 0.042861 0.372542 O\n0.062964 0.128078 0.750000 O\n0.409541 0.132334 0.514127 O\n0.409541 0.132334 0.985873 O\n0.821570 0.207926 0.250000 O\n0.428737 0.210992 0.154472 O\n0.428737 0.210992 0.345528 O\n0.928737 0.289008 0.654472 O\n0.928737 0.289008 0.845528 O\n0.321570 0.292074 0.750000 O\n0.909541 0.367666 0.014127 O\n0.909541 0.367666 0.485873 O\n0.562964 0.371922 0.250000 O\n0.678694 0.457139 0.627458 O\n0.678694 0.457139 0.872542 O\n0.127264 0.469851 0.627777 O\n0.127264 0.469851 0.872223 O\n",
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"elements": [
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],
"chemical_system": "Eu-H-K-O-Si",
"density": 3.0501473704910516,
"density_atomic": 0.06769792538468443,
"volume": 1122.6341068524646,
"volume_molar": 8.895606070318976,
"formula_full": "K12 Eu4 Si12 H8 O40",
"formula_reduced": "K3EuSi3(HO5)2",
"formula_anonymous": "AB2C3D3E10",
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"energy_uncorrected": -525.56346618,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 24.1292456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.252000Z",
"spacegroup": 62
},
{
"id": "mp-1188316",
"created_at": "2022-09-04T14:39:06.813975Z",
"structure_string": "Bi8 O12\n1.0\n3.886375 -6.731399 0.000000\n3.886375 6.731399 0.000000\n0.000000 0.000000 6.012996\nBi O\n8 12\ndirect\n0.175130 0.350259 0.228808 Bi\n0.175130 0.824870 0.228808 Bi\n0.649741 0.824870 0.228808 Bi\n0.824870 0.649741 0.728808 Bi\n0.824870 0.175130 0.728808 Bi\n0.350259 0.175130 0.728808 Bi\n0.666667 0.333333 0.223162 Bi\n0.333333 0.666667 0.723162 Bi\n0.461603 0.538397 0.503130 O\n0.076794 0.538397 0.503130 O\n0.461603 0.923206 0.503130 O\n0.538397 0.461603 0.003130 O\n0.923206 0.461603 0.003130 O\n0.538397 0.076794 0.003130 O\n0.871449 0.742897 0.340017 O\n0.871449 0.128551 0.340017 O\n0.257103 0.128551 0.340017 O\n0.128551 0.257103 0.840017 O\n0.128551 0.871449 0.840017 O\n0.742897 0.871449 0.840017 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Bi-O",
"density": 9.837524910339141,
"density_atomic": 0.06357100062509984,
"volume": 314.60885943807796,
"volume_molar": 9.4730941793958,
"formula_full": "Bi8 O12",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
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"updated_at": "2021-11-28T01:34:24.408000Z",
"spacegroup": 186
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{
"id": "mp-13405",
"created_at": "2022-09-04T14:39:06.991016Z",
"structure_string": "Lu1 Mn2 Ge2\n1.0\n-1.948307 1.948307 5.399258\n1.948307 -1.948307 5.399258\n1.948307 1.948307 -5.399258\nLu Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.617128 0.617128 0.000000 Ge\n0.382872 0.382872 0.000000 Ge\n",
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],
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"volume": 81.98017735928498,
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"formula_full": "Lu1 Mn2 Ge2",
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{
"id": "mp-1860697",
"created_at": "2022-09-04T14:39:07.968223Z",
"structure_string": "Zn2 Cu2 F8\n1.0\n4.700143 -0.006861 -2.183970\n-0.997630 4.563348 -2.156819\n0.015886 0.056277 6.240291\nZn Cu F\n2 2 8\ndirect\n0.255233 0.250461 0.501333 Zn\n0.752562 0.747382 0.500230 Zn\n0.997597 0.501955 0.999197 Cu\n0.498365 0.998761 0.001163 Cu\n0.949633 0.443061 0.266442 F\n0.680784 0.175618 0.729670 F\n0.048182 0.558900 0.732202 F\n0.181270 0.057425 0.734285 F\n0.322013 0.818355 0.268627 F\n0.453011 0.320910 0.273059 F\n0.820788 0.945467 0.269538 F\n0.548770 0.675513 0.734436 F\n",
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],
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"density": 5.054841883265764,
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"formula_full": "Zn2 Cu2 F8",
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]
}