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{
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{
"id": "mp-1205851",
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"structure_string": "Dy2 Mn4 Si2 C2\n1.0\n1.856264 -5.294859 0.000000\n1.856264 5.294859 0.000000\n0.000000 0.000000 6.991910\nDy Mn Si C\n2 4 2 2\ndirect\n0.544446 0.455554 0.250000 Dy\n0.455554 0.544446 0.750000 Dy\n0.832029 0.167971 0.061915 Mn\n0.167971 0.832029 0.938085 Mn\n0.167971 0.832029 0.561915 Mn\n0.832029 0.167971 0.438085 Mn\n0.264688 0.735312 0.250000 Si\n0.735312 0.264688 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"structure_string": "Fe10 O14 F6\n1.0\n3.352605 3.262512 0.000000\n-3.352605 3.262512 0.000000\n0.000000 0.029157 15.209924\nFe O F\n10 14 6\ndirect\n0.003978 0.006129 0.200874 Fe\n0.982436 0.968690 0.405975 Fe\n0.031310 0.017564 0.594025 Fe\n0.993871 0.996022 0.799126 Fe\n0.989812 0.010188 0.000000 Fe\n0.479699 0.540531 0.293465 Fe\n0.459469 0.520301 0.706535 Fe\n0.505893 0.494107 0.500000 Fe\n0.523053 0.475004 0.901249 Fe\n0.524996 0.476947 0.098751 Fe\n0.803856 0.196144 0.500000 O\n0.815772 0.178612 0.897518 O\n0.821388 0.184228 0.102482 O\n0.307319 0.308352 0.197995 O\n0.317645 0.323550 0.600060 O\n0.301330 0.297928 0.803906 O\n0.319512 0.295610 0.999924 O\n0.702072 0.698670 0.196094 O\n0.676450 0.682355 0.399940 O\n0.691648 0.692681 0.802005 O\n0.704390 0.680488 0.000076 O\n0.173746 0.818162 0.298952 O\n0.181838 0.826254 0.701048 O\n0.202577 0.797423 0.500000 O\n0.786301 0.198100 0.303357 F\n0.801900 0.213699 0.696643 F\n0.288467 0.300328 0.396291 F\n0.699672 0.711533 0.603709 F\n0.208082 0.798485 0.098353 F\n0.201515 0.791918 0.901647 F\n",
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"formula_full": "Fe10 O14 F6",
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{
"id": "mp-569582",
"created_at": "2022-09-04T14:46:54.261894Z",
"structure_string": "La16 Mg4 Co4\n1.0\n0.000000 7.103037 7.103037\n7.103037 0.000000 7.103037\n7.103037 7.103037 0.000000\nLa Mg Co\n16 4 4\ndirect\n0.560235 0.939765 0.560235 La\n0.188102 0.188102 0.811898 La\n0.560235 0.560235 0.939765 La\n0.968358 0.343881 0.343881 La\n0.811898 0.188102 0.811898 La\n0.188102 0.811898 0.188102 La\n0.343881 0.343881 0.968358 La\n0.343881 0.968358 0.343881 La\n0.939765 0.939765 0.560235 La\n0.939765 0.560235 0.560235 La\n0.343881 0.343881 0.343881 La\n0.811898 0.811898 0.188102 La\n0.811898 0.188102 0.188102 La\n0.560235 0.939765 0.939765 La\n0.939765 0.560235 0.939765 La\n0.188102 0.811898 0.811898 La\n0.578193 0.578193 0.578193 Mg\n0.578193 0.265422 0.578193 Mg\n0.578193 0.578193 0.265422 Mg\n0.265422 0.578193 0.578193 Mg\n0.140249 0.579254 0.140249 Co\n0.579254 0.140249 0.140249 Co\n0.140249 0.140249 0.579254 Co\n0.140249 0.140249 0.140249 Co\n",
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{
"id": "mp-1022602",
"created_at": "2022-09-04T14:46:54.268517Z",
"structure_string": "Mg12 Nb2 Zn2\n1.0\n4.854312 0.000000 0.000000\n0.000000 6.226207 0.000000\n0.000000 0.000000 10.822765\nMg Nb Zn\n12 2 2\ndirect\n0.000000 0.740709 0.087725 Mg\n0.000000 0.259291 0.087725 Mg\n0.000000 0.000000 0.332233 Mg\n0.500000 0.256297 0.417951 Mg\n0.500000 0.743703 0.417951 Mg\n0.500000 0.000000 0.166713 Mg\n0.000000 0.240709 0.587725 Mg\n0.000000 0.759291 0.587725 Mg\n0.000000 0.500000 0.832233 Mg\n0.500000 0.756297 0.917951 Mg\n0.500000 0.243703 0.917951 Mg\n0.500000 0.500000 0.666713 Mg\n0.500000 0.500000 0.173030 Nb\n0.500000 0.000000 0.673030 Nb\n0.000000 0.500000 0.316672 Zn\n0.000000 0.000000 0.816672 Zn\n",
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{
"id": "mp-1233945",
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"structure_string": "Ca1 V4 Ge4 O16\n1.0\n4.930382 0.282911 -0.301736\n0.303801 5.456928 -0.121260\n0.848328 -0.244123 11.357335\nCa V Ge O\n1 4 4 16\ndirect\n0.470135 0.528783 0.384286 Ca\n0.859394 0.646167 0.595357 V\n0.529744 0.753383 0.049275 V\n0.501070 0.238762 0.927754 V\n0.036830 0.154409 0.439057 V\n0.053971 0.806139 0.832034 Ge\n0.378230 0.258145 0.677108 Ge\n0.618587 0.976146 0.280356 Ge\n0.959948 0.200850 0.128481 Ge\n0.320950 0.173166 0.322644 O\n0.077420 0.500572 0.479932 O\n0.287027 0.129481 0.060865 O\n0.257305 0.048491 0.572377 O\n0.437053 0.729074 0.218314 O\n0.246089 0.067415 0.815119 O\n0.125943 0.530316 0.716394 O\n0.270540 0.616696 0.942789 O\n0.742592 0.394908 0.036131 O\n0.821687 0.281247 0.277553 O\n0.840138 0.905391 0.148120 O\n0.620052 0.328023 0.793332 O\n0.779488 0.897022 0.417917 O\n0.750648 0.913099 0.930059 O\n0.606135 0.412695 0.572837 O\n0.799650 0.884621 0.704131 O\n",
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{
"id": "mp-1096694",
"created_at": "2022-09-04T14:46:54.279690Z",
"structure_string": "Sr2 Tl1 Hg1\n1.0\n-6.738291 6.865182 9.662687\n6.738291 -6.865182 9.662687\n6.738291 6.865182 -9.662687\nSr Tl Hg\n2 1 1\ndirect\n0.000000 0.260697 0.260697 Sr\n0.000000 0.739303 0.739303 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "mp-642418",
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"structure_string": "Sr22 In6 Ga8\n1.0\n0.000000 8.729009 8.729009\n8.729009 0.000000 8.729009\n8.729009 8.729009 0.000000\nSr In Ga\n22 6 8\ndirect\n0.000000 0.664642 0.000000 Sr\n0.000000 0.664642 0.335358 Sr\n0.664642 0.000000 0.000000 Sr\n0.102024 0.632659 0.632659 Sr\n0.897976 0.367341 0.367341 Sr\n0.632659 0.632659 0.102024 Sr\n0.000000 0.335358 0.664642 Sr\n0.632659 0.632659 0.632659 Sr\n0.632659 0.102024 0.632659 Sr\n0.000000 0.000000 0.000000 Sr\n0.664642 0.000000 0.335358 Sr\n0.000000 0.000000 0.335358 Sr\n0.335358 0.664642 0.000000 Sr\n0.335358 0.000000 0.000000 Sr\n0.367341 0.367341 0.897976 Sr\n0.000000 0.335358 0.000000 Sr\n0.335358 0.000000 0.664642 Sr\n0.000000 0.000000 0.664642 Sr\n0.664642 0.335358 0.000000 Sr\n0.367341 0.897976 0.367341 Sr\n0.500000 0.500000 0.500000 Sr\n0.367341 0.367341 0.367341 Sr\n0.717209 0.717209 0.282791 In\n0.282791 0.717209 0.282791 In\n0.282791 0.717209 0.717209 In\n0.282791 0.282791 0.717209 In\n0.717209 0.282791 0.717209 In\n0.717209 0.282791 0.282791 In\n0.806184 0.806184 0.581447 Ga\n0.193816 0.193816 0.193816 Ga\n0.193816 0.418553 0.193816 Ga\n0.806184 0.581447 0.806184 Ga\n0.581447 0.806184 0.806184 Ga\n0.418553 0.193816 0.193816 Ga\n0.806184 0.806184 0.806184 Ga\n0.193816 0.193816 0.418553 Ga\n",
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{
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"structure_string": "Zn12 Si4 Ni8\n1.0\n0.000000 5.353157 5.353157\n5.353157 0.000000 5.353157\n5.353157 5.353157 0.000000\nZn Si Ni\n12 4 8\ndirect\n0.812833 0.812833 0.187167 Zn\n0.187167 0.187167 0.812833 Zn\n0.812833 0.187167 0.812833 Zn\n0.187167 0.812833 0.187167 Zn\n0.187167 0.812833 0.812833 Zn\n0.812833 0.187167 0.187167 Zn\n0.437167 0.437167 0.062833 Zn\n0.062833 0.062833 0.437167 Zn\n0.437167 0.062833 0.437167 Zn\n0.062833 0.437167 0.062833 Zn\n0.062833 0.437167 0.437167 Zn\n0.437167 0.062833 0.062833 Zn\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.125000 Si\n0.625000 0.625000 0.625000 Si\n0.756905 0.414365 0.414365 Ni\n0.414365 0.756905 0.414365 Ni\n0.414365 0.414365 0.756905 Ni\n0.414365 0.414365 0.414365 Ni\n0.493095 0.835635 0.835635 Ni\n0.835635 0.493095 0.835635 Ni\n0.835635 0.835635 0.493095 Ni\n0.835635 0.835635 0.835635 Ni\n",
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{
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{
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},
{
"id": "mp-1048537",
"created_at": "2022-09-04T14:46:54.311008Z",
"structure_string": "Ti4 Zn4 O8\n1.0\n2.822386 0.000000 0.000000\n-1.360182 8.786291 0.000000\n-1.407295 -0.639737 8.915258\nTi Zn O\n4 4 8\ndirect\n0.346000 0.672757 0.012596 Ti\n0.116532 0.909808 0.320294 Ti\n0.883468 0.090192 0.679706 Ti\n0.654000 0.327243 0.987404 Ti\n0.907870 0.510757 0.328969 Zn\n0.092130 0.489243 0.671031 Zn\n0.299992 0.255799 0.354273 Zn\n0.700008 0.744201 0.645727 Zn\n0.032954 0.219885 0.850372 O\n0.321990 0.938619 0.703530 O\n0.678010 0.061381 0.296470 O\n0.967046 0.780115 0.149628 O\n0.791544 0.704428 0.875868 O\n0.627814 0.816601 0.432150 O\n0.208456 0.295572 0.124132 O\n0.372186 0.183399 0.567850 O\n",
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"elements": [
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"density": 4.364590138725139,
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"volume": 221.08328445517157,
"volume_molar": 8.321216616701019,
"formula_full": "Ti4 Zn4 O8",
"formula_reduced": "TiZnO2",
"formula_anonymous": "ABC2",
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{
"id": "mp-1197031",
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"structure_string": "Ba2 V12 O22\n1.0\n2.965818 -5.136948 0.000000\n2.965818 5.136948 0.000000\n0.000000 0.000000 13.592011\nBa V O\n2 12 22\ndirect\n0.333333 0.666667 0.250502 Ba\n0.666667 0.333333 0.750502 Ba\n0.499974 0.999948 0.502360 V\n0.499974 0.500026 0.502360 V\n0.000052 0.500026 0.502360 V\n0.500026 0.000052 0.002360 V\n0.500026 0.499974 0.002360 V\n0.999948 0.499974 0.002360 V\n0.333333 0.666667 0.755825 V\n0.666667 0.333333 0.255825 V\n0.000000 0.000000 0.356085 V\n0.000000 0.000000 0.856085 V\n0.000000 0.000000 0.148517 V\n0.000000 0.000000 0.648517 V\n0.174244 0.348488 0.425027 O\n0.174244 0.825756 0.425027 O\n0.651512 0.825756 0.425027 O\n0.825756 0.651512 0.925027 O\n0.825756 0.174244 0.925027 O\n0.348488 0.174244 0.925027 O\n0.174627 0.349253 0.079763 O\n0.174627 0.825373 0.079763 O\n0.650747 0.825373 0.079763 O\n0.825373 0.650747 0.579763 O\n0.825373 0.174627 0.579763 O\n0.349253 0.174627 0.579763 O\n0.148359 0.296719 0.753070 O\n0.148359 0.851641 0.753070 O\n0.703281 0.851641 0.753070 O\n0.851641 0.703281 0.253070 O\n0.851641 0.148359 0.253070 O\n0.296719 0.148359 0.253070 O\n0.333333 0.666667 0.918391 O\n0.666667 0.333333 0.418391 O\n0.333333 0.666667 0.585797 O\n0.666667 0.333333 0.085797 O\n",
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"elements": [
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"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 4.963464194525673,
"density_atomic": 0.08692388361132194,
"volume": 414.15544847228796,
"volume_molar": 6.9280622422806815,
"formula_full": "Ba2 V12 O22",
"formula_reduced": "BaV6O11",
"formula_anonymous": "AB6C11",
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"updated_at": "2021-11-28T01:37:43.101000Z",
"spacegroup": 186
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]
}