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{
"id": "mp-554411",
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{
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"structure_string": "Ba2 Ga2 H10\n1.0\n0.000000 -4.606693 0.000000\n-5.016697 0.000000 0.005649\n-0.010328 0.000000 -8.747935\nBa Ga H\n2 2 10\ndirect\n0.259682 0.750095 0.662296 Ba\n0.759682 0.249905 0.337704 Ba\n0.670230 0.250196 0.857421 Ga\n0.170230 0.749804 0.142579 Ga\n0.323648 0.250334 0.838306 H\n0.823648 0.749666 0.161694 H\n0.775964 0.991975 0.763645 H\n0.275964 0.008025 0.236355 H\n0.776094 0.509106 0.764347 H\n0.276094 0.490894 0.235653 H\n0.782319 0.249414 0.027229 H\n0.282319 0.750586 0.972771 H\n0.263572 0.250129 0.514764 H\n0.763572 0.749871 0.485236 H\n",
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"formula_full": "Ba2 Ga2 H10",
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"spacegroup": 31
},
{
"id": "mp-1356526",
"created_at": "2022-09-04T14:39:19.775262Z",
"structure_string": "Fe6 P6 O26\n1.0\n6.386446 0.000000 0.000000\n0.000000 7.615265 0.000000\n0.000000 1.645447 10.303203\nFe P O\n6 6 26\ndirect\n0.250000 0.638436 0.191811 Fe\n0.750000 0.361564 0.808189 Fe\n0.250000 0.213009 0.439217 Fe\n0.500000 0.000000 0.000000 Fe\n0.750000 0.786991 0.560783 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.783346 0.481962 P\n0.750000 0.216654 0.518038 P\n0.250000 0.256816 0.764353 P\n0.750000 0.743184 0.235647 P\n0.750000 0.692538 0.883963 P\n0.250000 0.307462 0.116037 P\n0.750000 0.654261 0.741025 O\n0.554152 0.255626 0.433515 O\n0.250000 0.205742 0.627577 O\n0.552097 0.794760 0.912477 O\n0.750000 0.350555 0.615378 O\n0.750000 0.120521 0.906655 O\n0.250000 0.649445 0.384622 O\n0.052097 0.205240 0.087523 O\n0.250000 0.975035 0.406871 O\n0.750000 0.024965 0.593129 O\n0.054729 0.366551 0.785549 O\n0.250000 0.879479 0.093345 O\n0.554729 0.633449 0.214451 O\n0.750000 0.498953 0.956144 O\n0.750000 0.794258 0.372423 O\n0.447903 0.205240 0.087523 O\n0.945848 0.255626 0.433515 O\n0.445848 0.744374 0.566485 O\n0.445271 0.366551 0.785549 O\n0.250000 0.345739 0.258975 O\n0.750000 0.916141 0.130643 O\n0.250000 0.083859 0.869357 O\n0.945271 0.633449 0.214451 O\n0.947903 0.794760 0.912477 O\n0.054152 0.744374 0.566485 O\n0.250000 0.501047 0.043856 O\n",
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"formula_full": "Fe6 P6 O26",
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"spacegroup": 11
},
{
"id": "mp-1101934",
"created_at": "2022-09-04T14:39:19.777700Z",
"structure_string": "Ca2 Ga2 H8\n1.0\n4.344203 0.000000 0.000000\n0.000000 6.592662 0.000000\n0.000000 1.229044 6.605520\nCa Ga H\n2 2 8\ndirect\n0.433091 0.680007 0.318024 Ca\n0.933091 0.319993 0.681976 Ca\n0.193735 0.784570 0.792883 Ga\n0.693735 0.215430 0.207117 Ga\n0.363785 0.829447 0.993649 H\n0.863785 0.170553 0.006351 H\n0.983866 0.583075 0.863203 H\n0.483866 0.416925 0.136797 H\n0.978198 0.976749 0.708009 H\n0.478198 0.023251 0.291991 H\n0.462650 0.754513 0.638545 H\n0.962650 0.245487 0.361455 H\n",
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"volume": 189.1811814917995,
"volume_molar": 9.493964200722694,
"formula_full": "Ca2 Ga2 H8",
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"formula_anonymous": "ABC4",
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},
{
"id": "mp-850922",
"created_at": "2022-09-04T14:39:19.782693Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n5.032995 0.000000 0.000000\n-0.020793 5.315582 0.000000\n-0.095939 -0.149833 6.720606\nLi Fe Si O\n3 2 2 8\ndirect\n0.490931 0.160024 0.508694 Li\n0.493882 0.649453 0.289490 Li\n0.994493 0.843594 0.509265 Li\n0.496291 0.183872 0.988716 Fe\n0.013477 0.797538 0.002064 Fe\n0.004796 0.320869 0.259121 Si\n0.483966 0.681132 0.737362 Si\n0.111208 0.175359 0.448710 O\n0.124681 0.179782 0.051078 O\n0.671281 0.308222 0.228624 O\n0.558086 0.380070 0.765426 O\n0.096184 0.620284 0.252700 O\n0.166010 0.729551 0.744544 O\n0.602055 0.833331 0.950028 O\n0.609037 0.797820 0.538890 O\n",
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"formula_full": "Li3 Fe2 Si2 O8",
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{
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"created_at": "2022-09-04T14:39:19.885071Z",
"structure_string": "Cs2 Li1 Nd1 I6\n1.0\n0.000000 6.127805 6.127805\n6.127805 0.000000 6.127805\n6.127805 6.127805 0.000000\nCs Li Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.745926 0.254074 0.254074 I\n0.254074 0.254074 0.745926 I\n0.254074 0.745926 0.745926 I\n0.254074 0.745926 0.254074 I\n0.745926 0.254074 0.745926 I\n0.745926 0.745926 0.254074 I\n",
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{
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"structure_string": "Dy6 Co58 Si8 B20\n1.0\n11.133355 0.000000 0.000000\n0.000000 11.133355 0.000000\n0.000000 0.000000 7.825031\nDy Co Si B\n6 58 8 20\ndirect\n0.750000 0.250000 0.000000 Dy\n0.250000 0.250000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.750000 0.750000 0.000000 Dy\n0.250000 0.750000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.000000 0.272247 0.473998 Co\n0.338476 0.325700 0.335913 Co\n0.661524 0.325700 0.335913 Co\n0.000000 0.335529 0.970998 Co\n0.325700 0.338476 0.664087 Co\n0.674300 0.338476 0.664087 Co\n0.884353 0.384353 0.249784 Co\n0.115647 0.384353 0.249784 Co\n0.500000 0.389733 0.111243 Co\n0.889838 0.389838 0.698918 Co\n0.110162 0.389838 0.698918 Co\n0.835529 0.500000 0.970998 Co\n0.772247 0.500000 0.473998 Co\n0.000000 0.500000 0.467209 Co\n0.389733 0.500000 0.888757 Co\n0.610267 0.500000 0.888757 Co\n0.164471 0.500000 0.970998 Co\n0.227753 0.500000 0.473998 Co\n0.889838 0.610162 0.698918 Co\n0.110162 0.610162 0.698918 Co\n0.500000 0.610267 0.111243 Co\n0.884353 0.615647 0.249784 Co\n0.115647 0.615647 0.249784 Co\n0.325700 0.661524 0.664087 Co\n0.674300 0.661524 0.664087 Co\n0.000000 0.664471 0.970998 Co\n0.338476 0.674300 0.335913 Co\n0.661524 0.674300 0.335913 Co\n0.000000 0.727753 0.473998 Co\n0.500000 0.772247 0.526002 Co\n0.838476 0.825700 0.664087 Co\n0.161524 0.825700 0.664087 Co\n0.500000 0.835529 0.029002 Co\n0.825700 0.838476 0.335913 Co\n0.174300 0.838476 0.335913 Co\n0.384353 0.884353 0.750216 Co\n0.615647 0.884353 0.750216 Co\n0.000000 0.889733 0.888757 Co\n0.389838 0.889838 0.301082 Co\n0.610162 0.889838 0.301082 Co\n0.664471 0.000000 0.029002 Co\n0.727753 0.000000 0.526002 Co\n0.889733 0.000000 0.111243 Co\n0.110267 0.000000 0.111243 Co\n0.272247 0.000000 0.526002 Co\n0.335529 0.000000 0.029002 Co\n0.500000 0.000000 0.532791 Co\n0.389838 0.110162 0.301082 Co\n0.610162 0.110162 0.301082 Co\n0.000000 0.110267 0.888757 Co\n0.384353 0.115647 0.750216 Co\n0.615647 0.115647 0.750216 Co\n0.825700 0.161524 0.335913 Co\n0.174300 0.161524 0.335913 Co\n0.500000 0.164471 0.029002 Co\n0.838476 0.174300 0.664087 Co\n0.161524 0.174300 0.664087 Co\n0.500000 0.227753 0.526002 Co\n0.500000 0.318046 0.824754 Si\n0.318046 0.500000 0.175246 Si\n0.681954 0.500000 0.175246 Si\n0.500000 0.681954 0.824754 Si\n0.000000 0.818046 0.175246 Si\n0.818046 0.000000 0.824754 Si\n0.181954 0.000000 0.824754 Si\n0.000000 0.181954 0.175246 Si\n0.813442 0.313442 0.482273 B\n0.186558 0.313442 0.482273 B\n0.500000 0.256289 0.263342 B\n0.000000 0.500000 0.107990 B\n0.000000 0.500000 0.851084 B\n0.256289 0.500000 0.736658 B\n0.743711 0.500000 0.736658 B\n0.500000 0.743711 0.263342 B\n0.813442 0.686558 0.482273 B\n0.186558 0.686558 0.482273 B\n0.313442 0.813442 0.517727 B\n0.686558 0.813442 0.517727 B\n0.000000 0.756289 0.736658 B\n0.756289 0.000000 0.263342 B\n0.243711 0.000000 0.263342 B\n0.500000 0.000000 0.148916 B\n0.500000 0.000000 0.892010 B\n0.000000 0.243711 0.736658 B\n0.686558 0.186558 0.517727 B\n0.313442 0.186558 0.517727 B\n",
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{
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"structure_string": "La4 Cr4 S8 O4\n1.0\n3.757362 0.000000 0.000000\n0.000000 8.528848 0.000000\n0.000000 0.000000 11.298957\nLa Cr S O\n4 4 8 4\ndirect\n0.250001 0.546221 0.352240 La\n0.749999 0.453779 0.647760 La\n0.250001 0.046220 0.147760 La\n0.749999 0.953779 0.852240 La\n0.250001 0.669684 0.028480 Cr\n0.749999 0.330316 0.971520 Cr\n0.250001 0.169684 0.471520 Cr\n0.749999 0.830316 0.528479 Cr\n0.749999 0.242463 0.330912 S\n0.250001 0.757537 0.669088 S\n0.250001 0.257538 0.830912 S\n0.749999 0.742463 0.169088 S\n0.749999 0.597154 0.898173 S\n0.250001 0.402847 0.101827 S\n0.250001 0.902846 0.398173 S\n0.749999 0.097154 0.601827 S\n0.250001 0.887348 0.963618 O\n0.749999 0.112652 0.036382 O\n0.250001 0.387348 0.536382 O\n0.749999 0.612652 0.463618 O\n",
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{
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{
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"structure_string": "Na2 Li1 Sm1 Cl6\n1.0\n0.000000 5.197448 5.197448\n5.197448 0.000000 5.197448\n5.197448 5.197448 0.000000\nNa Li Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sm\n0.742909 0.257091 0.257091 Cl\n0.257091 0.257091 0.742909 Cl\n0.257091 0.742909 0.742909 Cl\n0.257091 0.742909 0.257091 Cl\n0.742909 0.257091 0.742909 Cl\n0.742909 0.742909 0.257091 Cl\n",
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{
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}