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{
"id": "mp-555880",
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{
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"structure_string": "Sr28 Hf4 N24\n1.0\n12.268854 0.000000 0.000000\n0.000000 6.800082 0.000000\n0.000000 0.000000 13.903836\nSr Hf N\n28 4 24\ndirect\n0.040279 0.726468 0.991742 Sr\n0.459721 0.773532 0.491742 Sr\n0.540279 0.773532 0.008258 Sr\n0.959721 0.726468 0.508258 Sr\n0.959721 0.273532 0.008258 Sr\n0.540279 0.226468 0.508258 Sr\n0.459721 0.226468 0.991742 Sr\n0.040279 0.273532 0.491742 Sr\n0.228374 0.848680 0.629516 Sr\n0.271626 0.651320 0.129516 Sr\n0.728374 0.651320 0.370484 Sr\n0.771626 0.848680 0.870484 Sr\n0.771626 0.151320 0.370484 Sr\n0.728374 0.348680 0.870484 Sr\n0.271626 0.348680 0.629516 Sr\n0.228374 0.151320 0.129516 Sr\n0.279911 0.615789 0.881748 Sr\n0.220089 0.884211 0.381748 Sr\n0.779911 0.884211 0.118252 Sr\n0.720089 0.615789 0.618252 Sr\n0.720089 0.384211 0.118252 Sr\n0.779911 0.115789 0.618252 Sr\n0.220089 0.115789 0.881748 Sr\n0.279911 0.384211 0.381748 Sr\n0.000000 0.475047 0.750000 Sr\n0.500000 0.024953 0.250000 Sr\n0.000000 0.524953 0.250000 Sr\n0.500000 0.975047 0.750000 Sr\n0.000000 0.974601 0.750000 Hf\n0.500000 0.525399 0.250000 Hf\n0.000000 0.025399 0.250000 Hf\n0.500000 0.474601 0.750000 Hf\n0.116160 0.788660 0.812107 N\n0.383840 0.711340 0.312107 N\n0.616160 0.711340 0.187893 N\n0.883840 0.788660 0.687893 N\n0.883840 0.211340 0.187893 N\n0.616160 0.288660 0.687893 N\n0.383840 0.288660 0.812107 N\n0.116160 0.211340 0.312107 N\n0.159728 0.600702 0.503344 N\n0.340272 0.899298 0.003344 N\n0.659728 0.899298 0.496656 N\n0.840272 0.600702 0.996656 N\n0.840272 0.399298 0.496656 N\n0.659728 0.100702 0.996656 N\n0.340272 0.100702 0.503344 N\n0.159728 0.399298 0.003344 N\n0.412438 0.660035 0.661000 N\n0.087562 0.839965 0.161000 N\n0.912438 0.839965 0.339000 N\n0.587562 0.660035 0.839000 N\n0.587562 0.339965 0.339000 N\n0.912438 0.160035 0.839000 N\n0.087562 0.160035 0.661000 N\n0.412438 0.339965 0.161000 N\n",
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"spacegroup": 60
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{
"id": "mp-11869",
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"structure_string": "Hf1 Sn1 Pd1\n1.0\n0.000000 3.181753 3.181753\n3.181753 0.000000 3.181753\n3.181753 3.181753 0.000000\nHf Sn Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Pd\n",
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"formula_full": "Hf1 Sn1 Pd1",
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{
"id": "mp-1183963",
"created_at": "2022-09-04T14:43:20.772679Z",
"structure_string": "Cs2 Rb6\n1.0\n5.192263 -8.993264 0.000000\n5.192263 8.993264 0.000000\n0.000000 0.000000 8.292874\nCs Rb\n2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.164453 0.328906 0.250000 Rb\n0.671094 0.835547 0.250000 Rb\n0.164453 0.835547 0.250000 Rb\n0.835547 0.671094 0.750000 Rb\n0.328906 0.164453 0.750000 Rb\n0.835547 0.164453 0.750000 Rb\n",
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{
"id": "mp-1189041",
"created_at": "2022-09-04T14:43:20.776843Z",
"structure_string": "Al2 C10 N2 Cl2\n1.0\n-6.453941 0.000000 3.018877\n0.798134 0.000000 -6.085428\n0.000000 -8.369390 0.000000\nAl C N Cl\n2 10 2 2\ndirect\n0.698532 0.801612 0.750000 Al\n0.301468 0.198388 0.250000 Al\n0.771942 0.160973 0.750000 C\n0.228058 0.839027 0.250000 C\n0.729807 0.327581 0.649910 C\n0.270193 0.672419 0.149910 C\n0.270193 0.672419 0.350090 C\n0.729807 0.327581 0.850090 C\n0.830845 0.613976 0.665128 C\n0.169155 0.386024 0.165128 C\n0.169155 0.386024 0.334872 C\n0.830845 0.613976 0.834872 C\n0.537976 0.156535 0.750000 N\n0.462024 0.843465 0.250000 N\n0.343808 0.555452 0.750000 Cl\n0.656192 0.444548 0.250000 Cl\n",
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"elements": [
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"formula_full": "Al2 C10 N2 Cl2",
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{
"id": "mp-1113030",
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"structure_string": "Cs2 K1 Tl1 Br6\n1.0\n0.000000 5.952314 5.952314\n5.952314 0.000000 5.952314\n5.952314 5.952314 0.000000\nCs K Tl Br\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 K\n0.000000 0.000000 0.000000 Tl\n0.765997 0.234003 0.234003 Br\n0.234003 0.234003 0.765997 Br\n0.234003 0.765997 0.765997 Br\n0.234003 0.765997 0.234003 Br\n0.765997 0.234003 0.765997 Br\n0.765997 0.765997 0.234003 Br\n",
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{
"id": "mp-1213739",
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"structure_string": "Cs8 Ca8 S12 O48\n1.0\n10.852739 0.000000 0.000000\n0.000000 10.852739 0.000000\n0.000000 0.000000 10.852739\nCs Ca S O\n8 8 12 48\ndirect\n0.047454 0.047454 0.047454 Cs\n0.452546 0.952546 0.547454 Cs\n0.952546 0.547454 0.452546 Cs\n0.547454 0.452546 0.952546 Cs\n0.816755 0.816755 0.816755 Cs\n0.683245 0.183245 0.316755 Cs\n0.183245 0.316755 0.683245 Cs\n0.316755 0.683245 0.183245 Cs\n0.334807 0.334807 0.334807 Ca\n0.165193 0.665193 0.834807 Ca\n0.665193 0.834807 0.165193 Ca\n0.834807 0.165193 0.665193 Ca\n0.598893 0.598893 0.598893 Ca\n0.901107 0.401107 0.098893 Ca\n0.401107 0.098893 0.901107 Ca\n0.098893 0.901107 0.401107 Ca\n0.017318 0.216443 0.375794 S\n0.482682 0.783557 0.875794 S\n0.982682 0.716443 0.124206 S\n0.375794 0.017318 0.216443 S\n0.517318 0.283557 0.624206 S\n0.875794 0.482682 0.783557 S\n0.124206 0.982682 0.716443 S\n0.624206 0.517318 0.283557 S\n0.216443 0.375794 0.017318 S\n0.716443 0.124206 0.982682 S\n0.283557 0.624206 0.517318 S\n0.783557 0.875794 0.482682 S\n0.007927 0.086790 0.332393 O\n0.492073 0.913210 0.832393 O\n0.992073 0.586790 0.167607 O\n0.332393 0.007927 0.086790 O\n0.507927 0.413210 0.667607 O\n0.832393 0.492073 0.913210 O\n0.167607 0.992073 0.586790 O\n0.667607 0.507927 0.413210 O\n0.086790 0.332393 0.007927 O\n0.586790 0.167607 0.992073 O\n0.413210 0.667607 0.507927 O\n0.913210 0.832393 0.492073 O\n0.266195 0.507793 0.445757 O\n0.233805 0.492207 0.945757 O\n0.733805 0.007793 0.054243 O\n0.445757 0.266195 0.507793 O\n0.766195 0.992207 0.554243 O\n0.945757 0.233805 0.492207 O\n0.054243 0.733805 0.007793 O\n0.554243 0.766195 0.992207 O\n0.507793 0.445757 0.266195 O\n0.007793 0.054243 0.733805 O\n0.992207 0.554243 0.766195 O\n0.492207 0.945757 0.233805 O\n0.037005 0.798548 0.219802 O\n0.462995 0.201452 0.719802 O\n0.962995 0.298548 0.280198 O\n0.219802 0.037005 0.798548 O\n0.537005 0.701452 0.780198 O\n0.719802 0.462995 0.201452 O\n0.280198 0.962995 0.298548 O\n0.780198 0.537005 0.701452 O\n0.798548 0.219802 0.037005 O\n0.298548 0.280198 0.962995 O\n0.701452 0.780198 0.537005 O\n0.201452 0.719802 0.462995 O\n0.147672 0.249720 0.400245 O\n0.352328 0.750280 0.900245 O\n0.852328 0.749720 0.099755 O\n0.400245 0.147672 0.249720 O\n0.647672 0.250280 0.599755 O\n0.900245 0.352328 0.750280 O\n0.099755 0.852328 0.749720 O\n0.599755 0.647672 0.250280 O\n0.249720 0.400245 0.147672 O\n0.749720 0.099755 0.852328 O\n0.250280 0.599755 0.647672 O\n0.750280 0.900245 0.352328 O\n",
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{
"id": "mp-1219502",
"created_at": "2022-09-04T14:43:35.203835Z",
"structure_string": "Sb1 Pb1 Br1 O2\n1.0\n-1.965965 1.965965 6.501428\n1.965965 -1.965965 6.501428\n1.965965 1.965965 -6.501428\nSb Pb Br O\n1 1 1 2\ndirect\n0.328946 0.328946 0.000000 Sb\n0.638814 0.638814 0.000000 Pb\n0.998007 0.998007 0.000000 Br\n0.755017 0.255017 0.500000 O\n0.255017 0.755017 0.500000 O\n",
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{
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"structure_string": "K1 Na2 Sc1 F6\n1.0\n0.000000 4.496768 4.496768\n4.496768 0.000000 4.496768\n4.496768 4.496768 0.000000\nK Na Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.775243 0.224757 0.224757 F\n0.224757 0.224757 0.775243 F\n0.224757 0.775243 0.775243 F\n0.224757 0.775243 0.224757 F\n0.775243 0.224757 0.775243 F\n0.775243 0.775243 0.224757 F\n",
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