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{
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"results": [
{
"id": "mp-1042359",
"created_at": "2022-09-04T14:46:29.242738Z",
"structure_string": "Mg8 Ta8 Bi8 O40\n1.0\n5.255153 0.000000 0.000000\n0.000000 10.434151 0.000000\n0.000000 0.000000 16.210180\nMg Ta Bi O\n8 8 8 40\ndirect\n0.522270 0.374088 0.553616 Mg\n0.022270 0.125912 0.553616 Mg\n0.022270 0.625912 0.946384 Mg\n0.977730 0.374088 0.053616 Mg\n0.477730 0.125912 0.053616 Mg\n0.977730 0.874088 0.446384 Mg\n0.477730 0.625912 0.446384 Mg\n0.522270 0.874088 0.946384 Mg\n0.999563 0.376298 0.417144 Ta\n0.500437 0.876298 0.582856 Ta\n0.000437 0.623702 0.582856 Ta\n0.499563 0.123702 0.417144 Ta\n0.000437 0.123702 0.917144 Ta\n0.999563 0.876298 0.082856 Ta\n0.500437 0.376298 0.917144 Ta\n0.499563 0.623702 0.082856 Ta\n0.995060 0.859043 0.776570 Bi\n0.004940 0.140957 0.223430 Bi\n0.504940 0.359043 0.223430 Bi\n0.004940 0.640957 0.276570 Bi\n0.495060 0.140957 0.723430 Bi\n0.495060 0.640957 0.776570 Bi\n0.504940 0.859043 0.276570 Bi\n0.995060 0.359043 0.723430 Bi\n0.885675 0.315260 0.314126 O\n0.265074 0.023661 0.960311 O\n0.234926 0.523661 0.039689 O\n0.331995 0.794791 0.845718 O\n0.168005 0.294791 0.154282 O\n0.885675 0.815260 0.185874 O\n0.168005 0.794791 0.345718 O\n0.614325 0.815260 0.685874 O\n0.265074 0.523661 0.539689 O\n0.114325 0.684740 0.685874 O\n0.614325 0.315260 0.814126 O\n0.750674 0.225106 0.476806 O\n0.765074 0.976339 0.539689 O\n0.668005 0.705209 0.345718 O\n0.205863 0.013738 0.126160 O\n0.765074 0.476339 0.960311 O\n0.114325 0.184740 0.814126 O\n0.831995 0.205209 0.654282 O\n0.250674 0.774894 0.023194 O\n0.234926 0.023661 0.460311 O\n0.249326 0.774894 0.523194 O\n0.794137 0.986262 0.873840 O\n0.668005 0.205209 0.154282 O\n0.705863 0.986262 0.373840 O\n0.249326 0.274894 0.976806 O\n0.250674 0.274894 0.476806 O\n0.734926 0.476339 0.460311 O\n0.734926 0.976339 0.039689 O\n0.705863 0.486262 0.126160 O\n0.749326 0.725106 0.523194 O\n0.749326 0.225106 0.976806 O\n0.750674 0.725106 0.023194 O\n0.794137 0.486262 0.626160 O\n0.831995 0.705209 0.845718 O\n0.331995 0.294791 0.654282 O\n0.205863 0.513738 0.373840 O\n0.294137 0.513738 0.873840 O\n0.385675 0.184740 0.314126 O\n0.294137 0.013738 0.626160 O\n0.385675 0.684740 0.185874 O\n",
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],
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"volume": 888.8537714177571,
"volume_molar": 8.36375394771031,
"formula_full": "Mg8 Ta8 Bi8 O40",
"formula_reduced": "MgTaBiO5",
"formula_anonymous": "ABCD5",
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"updated_at": "2021-11-28T01:37:41.923000Z",
"spacegroup": 61
},
{
"id": "mp-1042355",
"created_at": "2022-09-04T14:40:21.961065Z",
"structure_string": "Cr8 Si16 O48\n1.0\n5.100794 0.000000 0.000000\n0.000000 10.716667 0.000000\n0.000000 0.000000 18.425178\nCr Si O\n8 16 48\ndirect\n0.438149 0.544519 0.373249 Cr\n0.561851 0.455481 0.626751 Cr\n0.938149 0.455481 0.126751 Cr\n0.061851 0.544519 0.873249 Cr\n0.438149 0.044519 0.126751 Cr\n0.561851 0.955481 0.873249 Cr\n0.938149 0.955481 0.373249 Cr\n0.061851 0.044519 0.626751 Cr\n0.624966 0.168442 0.276396 Si\n0.769548 0.330257 0.973839 Si\n0.730452 0.330257 0.473839 Si\n0.875034 0.668442 0.723604 Si\n0.124966 0.831558 0.223604 Si\n0.375034 0.331558 0.776396 Si\n0.269548 0.169743 0.973839 Si\n0.769548 0.830257 0.526161 Si\n0.730452 0.830257 0.026161 Si\n0.875034 0.168442 0.776396 Si\n0.375034 0.831558 0.723604 Si\n0.624966 0.668442 0.223604 Si\n0.230452 0.669743 0.026161 Si\n0.124966 0.331558 0.276396 Si\n0.230452 0.169743 0.473839 Si\n0.269548 0.669743 0.526161 Si\n0.803163 0.043749 0.823679 O\n0.333717 0.547002 0.574983 O\n0.196837 0.956251 0.176321 O\n0.772216 0.861607 0.438864 O\n0.272216 0.638393 0.438864 O\n0.972712 0.716936 0.545037 O\n0.866041 0.133475 0.689483 O\n0.133959 0.366525 0.189483 O\n0.772216 0.361607 0.061136 O\n0.866041 0.633475 0.810517 O\n0.303163 0.956251 0.676321 O\n0.727784 0.861607 0.938864 O\n0.666283 0.452998 0.425017 O\n0.366041 0.366525 0.689483 O\n0.696837 0.543749 0.176321 O\n0.333717 0.047002 0.925017 O\n0.303163 0.456251 0.823679 O\n0.168838 0.219450 0.795122 O\n0.331162 0.219450 0.295122 O\n0.527288 0.216936 0.454963 O\n0.727784 0.361607 0.561136 O\n0.633959 0.133475 0.189483 O\n0.833717 0.952998 0.574983 O\n0.168838 0.719450 0.704878 O\n0.227784 0.638393 0.938864 O\n0.633959 0.633475 0.310517 O\n0.666283 0.952998 0.074983 O\n0.272216 0.138393 0.061136 O\n0.166283 0.047002 0.425017 O\n0.668838 0.280550 0.795122 O\n0.196837 0.456251 0.323679 O\n0.831162 0.280550 0.295122 O\n0.831162 0.780550 0.204878 O\n0.833717 0.452998 0.925017 O\n0.227784 0.138393 0.561136 O\n0.166283 0.547002 0.074983 O\n0.331162 0.719450 0.204878 O\n0.027288 0.283064 0.454963 O\n0.472712 0.283064 0.954963 O\n0.668838 0.780550 0.704878 O\n0.472712 0.783064 0.545037 O\n0.527288 0.716936 0.045037 O\n0.027288 0.783064 0.045037 O\n0.366041 0.866525 0.810517 O\n0.696837 0.043749 0.323679 O\n0.972712 0.216936 0.954963 O\n0.133959 0.866525 0.310517 O\n0.803163 0.543749 0.676321 O\n",
"nsites": 72,
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"elements": [
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"Si",
"O"
],
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"density": 2.6928240290315046,
"density_atomic": 0.07148637643510192,
"volume": 1007.1849153714536,
"volume_molar": 8.424179627382752,
"formula_full": "Cr8 Si16 O48",
"formula_reduced": "Cr(SiO3)2",
"formula_anonymous": "AB2C6",
"energy": -597.53274946,
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"updated_at": "2021-11-28T01:34:47.154000Z",
"spacegroup": 61
},
{
"id": "mp-1042350",
"created_at": "2022-09-04T14:46:08.499674Z",
"structure_string": "Zn8 Bi8 Sb8 O40\n1.0\n5.268637 0.000000 0.000000\n0.000000 10.605732 0.000000\n0.000000 0.000000 16.322142\nZn Bi Sb O\n8 8 8 40\ndirect\n0.548310 0.402755 0.565735 Zn\n0.048310 0.097245 0.565735 Zn\n0.048310 0.597245 0.934265 Zn\n0.951690 0.402755 0.065735 Zn\n0.451690 0.097245 0.065735 Zn\n0.951690 0.902755 0.434265 Zn\n0.451690 0.597245 0.434265 Zn\n0.548310 0.902755 0.934265 Zn\n0.049901 0.856662 0.780639 Bi\n0.950099 0.143338 0.219361 Bi\n0.450099 0.356663 0.219361 Bi\n0.950099 0.643338 0.280639 Bi\n0.549901 0.143338 0.719361 Bi\n0.549901 0.643338 0.780639 Bi\n0.450099 0.856662 0.280639 Bi\n0.049901 0.356663 0.719361 Bi\n0.978899 0.362955 0.409812 Sb\n0.521101 0.862955 0.590188 Sb\n0.021101 0.637045 0.590188 Sb\n0.478899 0.137045 0.409812 Sb\n0.021101 0.137045 0.909812 Sb\n0.978899 0.862955 0.090188 Sb\n0.521101 0.362955 0.909812 Sb\n0.478899 0.637045 0.090188 Sb\n0.837400 0.321753 0.302401 O\n0.261236 0.029834 0.966511 O\n0.238764 0.529834 0.033489 O\n0.376429 0.790306 0.855334 O\n0.123571 0.290306 0.144666 O\n0.837400 0.821753 0.197599 O\n0.123571 0.790306 0.355334 O\n0.662600 0.821753 0.697599 O\n0.261236 0.529834 0.533489 O\n0.162600 0.678247 0.697599 O\n0.662600 0.321753 0.802401 O\n0.788333 0.210811 0.458860 O\n0.761236 0.970166 0.533489 O\n0.623571 0.709694 0.355334 O\n0.183504 0.002511 0.138259 O\n0.761236 0.470166 0.966511 O\n0.162600 0.178247 0.802401 O\n0.876429 0.209694 0.644666 O\n0.288333 0.789189 0.041140 O\n0.238764 0.029834 0.466511 O\n0.211667 0.789189 0.541140 O\n0.816496 0.997489 0.861741 O\n0.623571 0.209694 0.144666 O\n0.683504 0.997489 0.361741 O\n0.211667 0.289189 0.958860 O\n0.288333 0.289189 0.458860 O\n0.738764 0.470166 0.466511 O\n0.738764 0.970166 0.033489 O\n0.683504 0.497489 0.138259 O\n0.711667 0.710811 0.541140 O\n0.711667 0.210811 0.958860 O\n0.788333 0.710811 0.041140 O\n0.816496 0.497489 0.638259 O\n0.876429 0.709694 0.855334 O\n0.376429 0.290306 0.644666 O\n0.183504 0.502511 0.361741 O\n0.316496 0.502511 0.861741 O\n0.337400 0.178247 0.302401 O\n0.316496 0.002511 0.638259 O\n0.337400 0.678247 0.197599 O\n",
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"volume_molar": 8.581970281328307,
"formula_full": "Zn8 Bi8 Sb8 O40",
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"updated_at": "2021-11-28T01:37:28.567000Z",
"spacegroup": 61
},
{
"id": "mp-1042344",
"created_at": "2022-09-04T14:39:33.495050Z",
"structure_string": "Ba2 Al1 Sn3 O8\n1.0\n4.260643 0.000000 0.000000\n0.000000 4.260643 0.000000\n0.000000 0.000000 11.259800\nBa Al Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.180587 Ba\n0.500000 0.500000 0.819413 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.374161 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.625839 Sn\n0.000000 0.500000 0.372847 O\n0.500000 0.000000 0.372847 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.186496 O\n0.000000 0.500000 0.627153 O\n0.500000 0.000000 0.627153 O\n0.000000 0.000000 0.813504 O\n0.000000 0.500000 0.000000 O\n",
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"formula_full": "Ba2 Al1 Sn3 O8",
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{
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"structure_string": "Y2 Fe2 W4 O16\n1.0\n5.206025 -0.059893 -0.324762\n-0.067497 5.846829 0.004622\n-0.170631 0.002992 10.077663\nY Fe W O\n2 2 4 16\ndirect\n0.254613 0.683491 0.259937 Y\n0.745605 0.316580 0.740306 Y\n0.251045 0.690905 0.735366 Fe\n0.749152 0.310727 0.263289 Fe\n0.257310 0.166158 0.493856 W\n0.251885 0.169024 0.006205 W\n0.742052 0.833793 0.505996 W\n0.748295 0.830764 0.993991 W\n0.412209 0.362184 0.132728 O\n0.588716 0.637614 0.867326 O\n0.097359 0.368065 0.354927 O\n0.902027 0.631837 0.645032 O\n0.457047 0.920314 0.618167 O\n0.542739 0.079840 0.381712 O\n0.042712 0.906463 0.892924 O\n0.957322 0.094229 0.107331 O\n0.888034 0.625769 0.115079 O\n0.112440 0.374252 0.885280 O\n0.620937 0.607957 0.381580 O\n0.378673 0.391423 0.618595 O\n0.445695 0.886895 0.096246 O\n0.554387 0.112445 0.903777 O\n0.069188 0.884699 0.406145 O\n0.930559 0.114573 0.594200 O\n",
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"updated_at": "2021-11-28T01:37:56.550000Z",
"spacegroup": 2
},
{
"id": "mp-1042338",
"created_at": "2022-09-04T14:39:30.174556Z",
"structure_string": "Zn2 Sb1 W1 O6\n1.0\n5.188113 0.000000 0.000000\n2.051118 5.289219 0.000000\n1.113283 0.577876 6.021666\nZn Sb W O\n2 1 1 6\ndirect\n0.566484 0.703960 0.964334 Zn\n0.278826 0.015675 0.445873 Zn\n0.479528 0.381978 0.559950 Sb\n0.995516 0.092671 0.946895 W\n0.233393 0.909707 0.171355 O\n0.879124 0.199967 0.637536 O\n0.722289 0.345375 0.089429 O\n0.841552 0.844979 0.983926 O\n0.273960 0.259186 0.835645 O\n0.402851 0.731446 0.690272 O\n",
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"formula_full": "Zn2 Sb1 W1 O6",
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{
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