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"results": [
{
"id": "mp-554564",
"created_at": "2022-09-04T14:44:23.810237Z",
"structure_string": "Ta16 Bi32 Br56 O16\n1.0\n14.993703 0.000000 0.000000\n0.000000 14.993703 0.000000\n0.000000 0.000000 18.526910\nTa Bi Br O\n16 32 56 16\ndirect\n0.148892 0.380937 0.500000 Ta\n0.000000 0.500000 0.136975 Ta\n0.500000 0.000000 0.363025 Ta\n0.500000 0.000000 0.136975 Ta\n0.880937 0.648892 0.000000 Ta\n0.000000 0.500000 0.636975 Ta\n0.619063 0.148892 0.500000 Ta\n0.380937 0.851108 0.500000 Ta\n0.500000 0.000000 0.863025 Ta\n0.351108 0.880937 0.000000 Ta\n0.000000 0.500000 0.863025 Ta\n0.500000 0.000000 0.636975 Ta\n0.119063 0.351108 0.000000 Ta\n0.000000 0.500000 0.363025 Ta\n0.851108 0.619063 0.500000 Ta\n0.648892 0.119063 0.000000 Ta\n0.904063 0.888874 0.331608 Bi\n0.008613 0.853094 0.813714 Bi\n0.388874 0.404063 0.831608 Bi\n0.111126 0.904063 0.331608 Bi\n0.008613 0.853094 0.186286 Bi\n0.491387 0.353094 0.313714 Bi\n0.646906 0.491387 0.313714 Bi\n0.111126 0.904063 0.668392 Bi\n0.991387 0.146906 0.186286 Bi\n0.853094 0.991387 0.186286 Bi\n0.508613 0.646906 0.313714 Bi\n0.095937 0.111126 0.668392 Bi\n0.904063 0.888874 0.668392 Bi\n0.853094 0.991387 0.813714 Bi\n0.388874 0.404063 0.168392 Bi\n0.404063 0.611126 0.168392 Bi\n0.146906 0.008613 0.813714 Bi\n0.888874 0.095937 0.331608 Bi\n0.646906 0.491387 0.686286 Bi\n0.146906 0.008613 0.186286 Bi\n0.404063 0.611126 0.831608 Bi\n0.611126 0.595937 0.168392 Bi\n0.595937 0.388874 0.831608 Bi\n0.611126 0.595937 0.831608 Bi\n0.595937 0.388874 0.168392 Bi\n0.508613 0.646906 0.686286 Bi\n0.353094 0.508613 0.313714 Bi\n0.095937 0.111126 0.331608 Bi\n0.491387 0.353094 0.686286 Bi\n0.991387 0.146906 0.813714 Bi\n0.888874 0.095937 0.668392 Bi\n0.353094 0.508613 0.686286 Bi\n0.611660 0.875667 0.852697 Br\n0.875667 0.388340 0.147303 Br\n0.244337 0.954226 0.500000 Br\n0.584339 0.084339 0.750000 Br\n0.375667 0.111660 0.352697 Br\n0.014274 0.752534 0.000000 Br\n0.454226 0.744337 0.000000 Br\n0.624333 0.888340 0.647303 Br\n0.415661 0.915661 0.750000 Br\n0.258098 0.809539 0.100631 Br\n0.741902 0.190461 0.100631 Br\n0.252534 0.514274 0.500000 Br\n0.545774 0.255663 0.000000 Br\n0.045774 0.244337 0.500000 Br\n0.611660 0.875667 0.147303 Br\n0.690461 0.241902 0.600631 Br\n0.758098 0.690461 0.399369 Br\n0.241902 0.309539 0.600631 Br\n0.747466 0.485726 0.500000 Br\n0.111660 0.624333 0.647303 Br\n0.888340 0.375667 0.352697 Br\n0.309539 0.758098 0.399369 Br\n0.111660 0.624333 0.352697 Br\n0.255663 0.454226 0.000000 Br\n0.741902 0.190461 0.899369 Br\n0.915661 0.584339 0.750000 Br\n0.888340 0.375667 0.647303 Br\n0.809539 0.741902 0.899369 Br\n0.985726 0.247466 0.000000 Br\n0.190461 0.258098 0.899369 Br\n0.415661 0.915661 0.250000 Br\n0.752534 0.985726 0.000000 Br\n0.584339 0.084339 0.250000 Br\n0.915661 0.584339 0.250000 Br\n0.247466 0.014274 0.000000 Br\n0.258098 0.809539 0.899369 Br\n0.375667 0.111660 0.647303 Br\n0.084339 0.415661 0.250000 Br\n0.624333 0.888340 0.352697 Br\n0.744337 0.545774 0.000000 Br\n0.190461 0.258098 0.100631 Br\n0.758098 0.690461 0.600631 Br\n0.875667 0.388340 0.852697 Br\n0.485726 0.252534 0.500000 Br\n0.124333 0.611660 0.147303 Br\n0.690461 0.241902 0.399369 Br\n0.954226 0.755663 0.500000 Br\n0.809539 0.741902 0.100631 Br\n0.388340 0.124333 0.147303 Br\n0.309539 0.758098 0.600631 Br\n0.084339 0.415661 0.750000 Br\n0.241902 0.309539 0.399369 Br\n0.388340 0.124333 0.852697 Br\n0.124333 0.611660 0.852697 Br\n0.514274 0.747466 0.500000 Br\n0.755663 0.045774 0.500000 Br\n0.063208 0.426080 0.926468 O\n0.936792 0.573920 0.926468 O\n0.436792 0.926080 0.426468 O\n0.936792 0.573920 0.073532 O\n0.926080 0.563208 0.573532 O\n0.073920 0.436792 0.426468 O\n0.563208 0.073920 0.573532 O\n0.436792 0.926080 0.573532 O\n0.926080 0.563208 0.426468 O\n0.563208 0.073920 0.426468 O\n0.426080 0.936792 0.926468 O\n0.426080 0.936792 0.073532 O\n0.073920 0.436792 0.573532 O\n0.573920 0.063208 0.073532 O\n0.573920 0.063208 0.926468 O\n0.063208 0.426080 0.073532 O\n",
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"elements": [
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"O"
],
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"density": 5.706418512473721,
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"volume": 4165.055566064808,
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"formula_full": "Ta16 Bi32 Br56 O16",
"formula_reduced": "Ta2Bi4Br7O2",
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"energy": -652.90981383,
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"updated_at": "2021-11-28T01:36:21.815000Z",
"spacegroup": 128
},
{
"id": "mp-680450",
"created_at": "2022-09-04T14:47:13.296095Z",
"structure_string": "K32 Li16 Sn64\n1.0\n11.155796 11.161958 0.000000\n-11.155796 11.161958 0.000000\n0.000000 11.155274 15.609883\nK Li Sn\n32 16 64\ndirect\n0.877249 0.122751 0.750000 K\n0.927621 0.409109 0.135392 K\n0.636303 0.867789 0.250207 K\n0.409109 0.927621 0.635392 K\n0.604704 0.868797 0.743310 K\n0.590891 0.072379 0.364608 K\n0.461739 0.430507 0.628051 K\n0.910954 0.938509 0.633714 K\n0.388612 0.611388 0.750000 K\n0.122751 0.877249 0.250000 K\n0.353258 0.646742 0.250000 K\n0.646742 0.353258 0.750000 K\n0.611388 0.388612 0.250000 K\n0.885930 0.114070 0.250000 K\n0.395296 0.131203 0.256690 K\n0.938509 0.910954 0.133714 K\n0.061491 0.089046 0.866286 K\n0.089046 0.061491 0.366286 K\n0.363697 0.132211 0.749793 K\n0.538261 0.569493 0.371949 K\n0.867789 0.636303 0.750207 K\n0.569493 0.538261 0.871949 K\n0.131203 0.395296 0.756690 K\n0.438194 0.959559 0.132734 K\n0.132211 0.363697 0.249793 K\n0.114070 0.885930 0.750000 K\n0.430507 0.461739 0.128051 K\n0.040441 0.561806 0.367266 K\n0.959559 0.438194 0.632734 K\n0.561806 0.040441 0.867266 K\n0.868797 0.604704 0.243310 K\n0.072379 0.590891 0.864608 K\n0.248113 0.542369 0.998580 Li\n0.248419 0.042708 0.501246 Li\n0.751360 0.541200 0.502141 Li\n0.751581 0.957292 0.498754 Li\n0.957292 0.751581 0.998754 Li\n0.751887 0.457631 0.001420 Li\n0.242251 0.954046 0.003280 Li\n0.248640 0.458800 0.497859 Li\n0.954046 0.242251 0.503280 Li\n0.458800 0.248640 0.997859 Li\n0.757749 0.045954 0.996720 Li\n0.541200 0.751360 0.002141 Li\n0.045954 0.757749 0.496720 Li\n0.042708 0.248419 0.001246 Li\n0.457631 0.751887 0.501420 Li\n0.542369 0.248113 0.498580 Li\n0.761874 0.393122 0.872427 Sn\n0.148623 0.263346 0.635648 Sn\n0.693873 0.401513 0.447253 Sn\n0.632472 0.106023 0.128572 Sn\n0.596321 0.795149 0.572562 Sn\n0.106023 0.632472 0.628572 Sn\n0.807741 0.345983 0.552718 Sn\n0.133961 0.348933 0.466192 Sn\n0.602003 0.649229 0.138528 Sn\n0.872857 0.238904 0.871481 Sn\n0.113419 0.264258 0.117197 Sn\n0.348933 0.133961 0.966192 Sn\n0.764253 0.772457 0.616791 Sn\n0.772457 0.764253 0.116791 Sn\n0.235747 0.227543 0.383209 Sn\n0.851377 0.736654 0.364352 Sn\n0.227543 0.235747 0.883209 Sn\n0.345983 0.807741 0.052718 Sn\n0.359075 0.902763 0.450652 Sn\n0.736654 0.851377 0.864352 Sn\n0.393122 0.761874 0.372427 Sn\n0.262633 0.737573 0.867412 Sn\n0.238126 0.606878 0.127573 Sn\n0.140871 0.849949 0.556312 Sn\n0.761096 0.127143 0.628519 Sn\n0.306127 0.598487 0.552747 Sn\n0.127143 0.761096 0.128519 Sn\n0.262427 0.737367 0.632588 Sn\n0.859129 0.150051 0.443688 Sn\n0.903959 0.867174 0.426851 Sn\n0.367528 0.893977 0.871428 Sn\n0.192259 0.654017 0.447282 Sn\n0.634635 0.681420 0.469468 Sn\n0.238904 0.872857 0.371481 Sn\n0.097237 0.640925 0.049348 Sn\n0.132826 0.096041 0.073149 Sn\n0.350771 0.397997 0.361472 Sn\n0.737573 0.262633 0.367412 Sn\n0.401513 0.693873 0.947253 Sn\n0.737367 0.262427 0.132588 Sn\n0.902763 0.359075 0.950652 Sn\n0.204852 0.403679 0.927438 Sn\n0.886581 0.735742 0.882803 Sn\n0.866039 0.651067 0.533808 Sn\n0.150051 0.859129 0.943688 Sn\n0.640925 0.097237 0.549348 Sn\n0.598487 0.306127 0.052747 Sn\n0.403679 0.204852 0.427438 Sn\n0.096041 0.132826 0.573149 Sn\n0.681420 0.634635 0.969468 Sn\n0.735742 0.886581 0.382803 Sn\n0.849949 0.140871 0.056312 Sn\n0.893977 0.367528 0.371428 Sn\n0.651067 0.866039 0.033808 Sn\n0.397997 0.350771 0.861472 Sn\n0.264258 0.113419 0.617197 Sn\n0.263346 0.148623 0.135648 Sn\n0.606878 0.238126 0.627573 Sn\n0.867174 0.903959 0.926851 Sn\n0.318580 0.365365 0.030532 Sn\n0.365365 0.318580 0.530532 Sn\n0.795149 0.596321 0.072562 Sn\n0.654017 0.192259 0.947282 Sn\n0.649229 0.602003 0.638528 Sn\n",
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"formula_full": "K32 Li16 Sn64",
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"spacegroup": 15
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{
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"structure_string": "Ba2 Ag2 Bi2\n1.0\n2.518981 -4.363003 0.000000\n2.518981 4.363003 0.000000\n0.000000 0.000000 9.475084\nBa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
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{
"id": "mp-1192762",
"created_at": "2022-09-04T14:41:08.508172Z",
"structure_string": "Ce12 Ir4 I12\n1.0\n-6.240092 6.240092 6.240092\n6.240092 -6.240092 6.240092\n6.240092 6.240092 -6.240092\nCe Ir I\n12 4 12\ndirect\n0.272559 0.750000 0.227441 Ce\n0.477441 0.750000 0.022559 Ce\n0.227441 0.454882 0.477441 Ce\n0.022559 0.045118 0.272559 Ce\n0.227441 0.272559 0.750000 Ce\n0.022559 0.477441 0.750000 Ce\n0.477441 0.227441 0.454882 Ce\n0.272559 0.022559 0.045118 Ce\n0.750000 0.227441 0.272559 Ce\n0.750000 0.022559 0.477441 Ce\n0.454882 0.477441 0.227441 Ce\n0.045118 0.272559 0.022559 Ce\n0.500000 0.000000 0.250000 Ir\n0.250000 0.500000 0.000000 Ir\n0.000000 0.250000 0.500000 Ir\n0.250000 0.250000 0.250000 Ir\n0.250000 0.989961 0.510039 I\n0.520078 0.510039 0.760039 I\n0.250000 0.760039 0.739961 I\n0.979922 0.739961 0.989961 I\n0.989961 0.510039 0.250000 I\n0.739961 0.989961 0.979922 I\n0.760039 0.739961 0.250000 I\n0.510039 0.760039 0.520078 I\n0.510039 0.250000 0.989961 I\n0.760039 0.520078 0.510039 I\n0.739961 0.250000 0.760039 I\n0.989961 0.979922 0.739961 I\n",
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{
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"structure_string": "K12 Na6 Al2 Sb8\n1.0\n5.145907 -8.912973 0.000000\n5.145907 8.912973 0.000000\n0.000000 0.000000 10.595547\nK Na Al Sb\n12 6 2 8\ndirect\n0.207383 0.414766 0.542120 K\n0.792617 0.207383 0.042120 K\n0.414766 0.207383 0.042120 K\n0.585234 0.792617 0.542120 K\n0.207383 0.792617 0.542120 K\n0.792617 0.585234 0.457880 K\n0.792617 0.207383 0.457880 K\n0.792617 0.585234 0.042120 K\n0.414766 0.207383 0.457880 K\n0.585234 0.792617 0.957880 K\n0.207383 0.414766 0.957880 K\n0.207383 0.792617 0.957880 K\n0.115907 0.231814 0.250000 Na\n0.884093 0.115907 0.750000 Na\n0.231814 0.115907 0.750000 Na\n0.768186 0.884093 0.250000 Na\n0.115907 0.884093 0.250000 Na\n0.884093 0.768186 0.750000 Na\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.481600 0.518400 0.250000 Sb\n0.963201 0.481600 0.750000 Sb\n0.518400 0.036799 0.750000 Sb\n0.481600 0.963201 0.250000 Sb\n0.036799 0.518400 0.250000 Sb\n0.518400 0.481600 0.750000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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"formula_full": "K12 Na6 Al2 Sb8",
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{
"id": "mp-1008561",
"created_at": "2022-09-04T14:42:56.380744Z",
"structure_string": "Tm1 Tl1 Te2\n1.0\n8.319593 -2.208030 0.000000\n8.319593 2.208030 0.000000\n7.733579 0.000000 3.779255\nTm Tl Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Tl\n0.763758 0.763758 0.763758 Te\n0.236242 0.236242 0.236242 Te\n",
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{
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{
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"structure_string": "Rb3 Br1 O1\n1.0\n5.578515 0.000000 0.000000\n0.000000 5.578515 0.000000\n0.000000 0.000000 5.578515\nRb Br O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 O\n",
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