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{
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{
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"formula_full": "Si16 O32",
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{
"id": "mp-1095532",
"created_at": "2022-09-04T14:48:16.493807Z",
"structure_string": "V4 Si4 Ni4\n1.0\n3.541571 0.000000 0.000000\n0.000000 5.974888 0.000000\n0.000000 0.000000 6.922200\nV Si Ni\n4 4 4\ndirect\n0.250000 0.026745 0.333166 V\n0.250000 0.526745 0.166834 V\n0.750000 0.973255 0.666834 V\n0.750000 0.473255 0.833166 V\n0.250000 0.269307 0.629170 Si\n0.250000 0.769307 0.870830 Si\n0.750000 0.730693 0.370830 Si\n0.750000 0.230693 0.129170 Si\n0.250000 0.146704 0.939388 Ni\n0.250000 0.646704 0.560612 Ni\n0.750000 0.853296 0.060612 Ni\n0.750000 0.353296 0.439388 Ni\n",
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{
"id": "mp-1217136",
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"structure_string": "Ti8 Al15 Rh7\n1.0\n-4.323827 4.334999 6.121315\n4.323827 -4.334999 6.121315\n4.323827 4.334999 -6.121315\nTi Al Rh\n8 15 7\ndirect\n0.789843 0.289062 0.072630 Ti\n0.216432 0.289062 0.499219 Ti\n0.210004 0.710004 0.500000 Ti\n0.216432 0.717213 0.927370 Ti\n0.789843 0.717213 0.500781 Ti\n0.783952 0.283952 0.500000 Ti\n0.379020 0.122729 0.743709 Ti\n0.379020 0.635311 0.256291 Ti\n0.998168 0.498168 0.500000 Al\n0.153252 0.344588 0.191335 Al\n0.153252 0.961917 0.808665 Al\n0.150745 0.346360 0.804385 Al\n0.541974 0.346360 0.195615 Al\n0.845740 0.652624 0.806885 Al\n0.845740 0.038855 0.193115 Al\n0.843901 0.653795 0.190106 Al\n0.463689 0.653795 0.809894 Al\n0.379516 0.121717 0.257799 Al\n0.863919 0.121717 0.742201 Al\n0.621778 0.877878 0.256100 Al\n0.621778 0.365678 0.743900 Al\n0.621115 0.878154 0.742961 Al\n0.135192 0.878154 0.257039 Al\n0.001288 0.000096 0.501643 Rh\n0.498453 0.000096 0.998808 Rh\n0.497719 0.497719 0.000000 Rh\n0.498453 0.499645 0.498357 Rh\n0.001288 0.499645 0.001192 Rh\n0.999062 0.999062 0.000000 Rh\n0.499428 0.999428 0.500000 Rh\n",
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"volume": 458.94646676720834,
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"formula_full": "Ti8 Al15 Rh7",
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"spacegroup": 44
},
{
"id": "mp-1016270",
"created_at": "2022-09-04T14:48:11.205933Z",
"structure_string": "Mg7 Sb1\n1.0\n3.164166 -5.480495 0.000000\n3.164166 5.480495 0.000000\n0.000000 0.000000 5.319831\nMg Sb\n7 1\ndirect\n0.833818 0.667637 0.500000 Mg\n0.332363 0.166182 0.500000 Mg\n0.833818 0.166182 0.500000 Mg\n0.500703 0.499297 0.000000 Mg\n0.998595 0.499297 0.000000 Mg\n0.500703 0.001405 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Sb\n",
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},
{
"id": "mp-1420266",
"created_at": "2022-09-04T14:48:11.207349Z",
"structure_string": "V2 Cl10\n1.0\n6.413424 0.000000 0.000000\n-3.024892 6.239021 0.000000\n-0.185482 -3.641775 8.507431\nV Cl\n2 10\ndirect\n0.115088 0.001003 0.279978 V\n0.884912 0.998997 0.720022 V\n0.263193 0.210437 0.459311 Cl\n0.736807 0.789563 0.540689 Cl\n0.257585 0.785385 0.348951 Cl\n0.742415 0.214615 0.651049 Cl\n0.482780 0.233910 0.084245 Cl\n0.517220 0.766090 0.915755 Cl\n0.955458 0.223207 0.255139 Cl\n0.044542 0.776793 0.744861 Cl\n0.898065 0.768253 0.178744 Cl\n0.101935 0.231747 0.821256 Cl\n",
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"density": 2.2263952557843436,
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"volume": 340.41197987421407,
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{
"id": "mp-558798",
"created_at": "2022-09-04T14:48:11.214753Z",
"structure_string": "Bi2 P2 O8\n1.0\n7.283071 0.000000 0.000000\n0.000000 4.780516 0.000000\n0.000000 0.410671 4.794019\nBi P O\n2 2 8\ndirect\n0.750000 0.131194 0.863067 Bi\n0.250000 0.868806 0.136933 Bi\n0.750000 0.659958 0.332117 P\n0.250000 0.340042 0.667883 P\n0.585127 0.810469 0.174684 O\n0.250000 0.296870 0.353344 O\n0.085127 0.189531 0.825316 O\n0.414873 0.189531 0.825316 O\n0.914873 0.810469 0.174684 O\n0.750000 0.703130 0.646656 O\n0.750000 0.340029 0.307114 O\n0.250000 0.659971 0.692886 O\n",
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{
"id": "mp-1101728",
"created_at": "2022-09-04T14:48:16.666336Z",
"structure_string": "Sn16 S24 O96\n1.0\n8.721204 0.000000 0.000000\n0.000000 8.848813 0.000000\n0.000000 0.000000 26.219434\nSn S O\n16 24 96\ndirect\n0.619812 0.027927 0.064063 Sn\n0.880188 0.027927 0.564063 Sn\n0.212866 0.995618 0.180279 Sn\n0.287134 0.995618 0.680279 Sn\n0.712866 0.504382 0.180279 Sn\n0.787134 0.504382 0.680279 Sn\n0.380188 0.472073 0.564063 Sn\n0.119812 0.472073 0.064063 Sn\n0.619812 0.527927 0.435937 Sn\n0.880188 0.527927 0.935937 Sn\n0.287134 0.495618 0.819721 Sn\n0.212866 0.495618 0.319721 Sn\n0.712866 0.004382 0.319721 Sn\n0.787134 0.004382 0.819721 Sn\n0.119812 0.972073 0.435937 Sn\n0.380188 0.972073 0.935937 Sn\n0.074873 0.854253 0.294823 S\n0.425127 0.854253 0.794823 S\n0.724987 0.895558 0.440597 S\n0.775013 0.895558 0.940597 S\n0.917299 0.803524 0.128635 S\n0.582701 0.803524 0.628635 S\n0.417299 0.696476 0.128635 S\n0.082701 0.696476 0.628635 S\n0.224987 0.604442 0.440597 S\n0.275013 0.604442 0.940597 S\n0.574873 0.645747 0.294823 S\n0.925127 0.645747 0.794823 S\n0.425127 0.354253 0.705177 S\n0.074873 0.354253 0.205177 S\n0.724987 0.395558 0.059403 S\n0.775013 0.395558 0.559403 S\n0.917299 0.303524 0.371365 S\n0.582701 0.303524 0.871365 S\n0.417299 0.196476 0.371365 S\n0.082701 0.196476 0.871365 S\n0.224987 0.104442 0.059403 S\n0.275013 0.104442 0.559403 S\n0.574873 0.145747 0.205177 S\n0.925127 0.145747 0.705177 S\n0.563044 0.923899 0.438152 O\n0.936956 0.923899 0.938152 O\n0.913097 0.902315 0.282848 O\n0.586903 0.902315 0.782848 O\n0.814421 0.003392 0.472278 O\n0.685579 0.003392 0.972278 O\n0.132417 0.913976 0.342435 O\n0.367583 0.913976 0.842435 O\n0.818179 0.882382 0.092675 O\n0.681821 0.882382 0.592675 O\n0.178876 0.906646 0.252578 O\n0.321124 0.906646 0.752578 O\n0.993643 0.920801 0.162953 O\n0.506357 0.920801 0.662953 O\n0.797621 0.912989 0.384647 O\n0.702379 0.912989 0.884647 O\n0.576201 0.816220 0.293738 O\n0.923799 0.816220 0.793738 O\n0.322558 0.787320 0.167023 O\n0.177442 0.787320 0.667023 O\n0.270158 0.760204 0.454759 O\n0.229842 0.760204 0.954759 O\n0.969010 0.788499 0.603235 O\n0.530990 0.788499 0.103235 O\n0.469010 0.711501 0.603235 O\n0.030990 0.711501 0.103235 O\n0.729842 0.739796 0.954759 O\n0.770158 0.739796 0.454759 O\n0.822558 0.712680 0.167023 O\n0.677442 0.712680 0.667023 O\n0.076201 0.683780 0.293738 O\n0.423799 0.683780 0.793738 O\n0.297621 0.587011 0.384647 O\n0.202379 0.587011 0.884647 O\n0.006357 0.579199 0.662953 O\n0.493643 0.579199 0.162953 O\n0.678876 0.593354 0.252578 O\n0.821124 0.593354 0.752578 O\n0.318179 0.617618 0.092675 O\n0.181821 0.617618 0.592675 O\n0.867583 0.586024 0.842435 O\n0.632417 0.586024 0.342435 O\n0.185579 0.496608 0.972278 O\n0.314421 0.496608 0.472278 O\n0.413097 0.597685 0.282848 O\n0.086903 0.597685 0.782848 O\n0.436956 0.576101 0.938152 O\n0.063044 0.576101 0.438152 O\n0.563044 0.423899 0.061848 O\n0.936956 0.423899 0.561848 O\n0.913097 0.402315 0.217152 O\n0.586903 0.402315 0.717152 O\n0.814421 0.503392 0.027722 O\n0.685579 0.503392 0.527722 O\n0.367583 0.413976 0.657565 O\n0.132417 0.413976 0.157565 O\n0.818179 0.382382 0.407325 O\n0.681821 0.382382 0.907325 O\n0.178876 0.406646 0.247422 O\n0.321124 0.406646 0.747422 O\n0.993643 0.420801 0.337047 O\n0.506357 0.420801 0.837047 O\n0.797621 0.412989 0.115353 O\n0.702379 0.412989 0.615353 O\n0.576201 0.316220 0.206262 O\n0.923799 0.316220 0.706262 O\n0.322558 0.287320 0.332977 O\n0.177442 0.287320 0.832977 O\n0.270158 0.260204 0.045241 O\n0.229842 0.260204 0.545241 O\n0.530990 0.288499 0.396765 O\n0.969010 0.288499 0.896765 O\n0.030990 0.211501 0.396765 O\n0.469010 0.211501 0.896765 O\n0.770158 0.239796 0.045241 O\n0.729842 0.239796 0.545241 O\n0.822558 0.212680 0.332977 O\n0.677442 0.212680 0.832977 O\n0.423799 0.183780 0.706262 O\n0.076201 0.183780 0.206262 O\n0.297621 0.087011 0.115353 O\n0.202379 0.087011 0.615353 O\n0.493643 0.079199 0.337047 O\n0.006357 0.079199 0.837047 O\n0.678876 0.093354 0.247422 O\n0.821124 0.093354 0.747422 O\n0.318179 0.117618 0.407325 O\n0.181821 0.117618 0.907325 O\n0.632417 0.086024 0.157565 O\n0.867583 0.086024 0.657565 O\n0.314421 0.996608 0.027722 O\n0.185579 0.996608 0.527722 O\n0.413097 0.097685 0.217152 O\n0.086903 0.097685 0.717152 O\n0.436956 0.076101 0.561848 O\n0.063044 0.076101 0.061848 O\n",
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