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{
"id": "mp-1041808",
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"structure_string": "Ca4 Sn8 O16\n1.0\n6.340865 0.000000 0.000000\n0.000000 6.940901 0.000000\n0.000000 0.000000 11.957963\nCa Sn O\n4 8 16\ndirect\n0.500000 0.447345 0.000000 Ca\n0.000000 0.552655 0.500000 Ca\n0.500000 0.797784 0.500000 Ca\n0.000000 0.202216 0.000000 Ca\n0.000000 0.898761 0.294863 Sn\n0.000000 0.898761 0.705137 Sn\n0.500000 0.101239 0.205137 Sn\n0.500000 0.101239 0.794863 Sn\n0.250000 0.500000 0.250000 Sn\n0.750000 0.500000 0.750000 Sn\n0.750000 0.500000 0.250000 Sn\n0.250000 0.500000 0.750000 Sn\n0.000000 0.373532 0.335959 O\n0.000000 0.373532 0.664041 O\n0.500000 0.626468 0.164041 O\n0.500000 0.626468 0.835959 O\n0.000000 0.662573 0.174414 O\n0.000000 0.662573 0.825586 O\n0.500000 0.337427 0.325586 O\n0.500000 0.337427 0.674414 O\n0.262974 0.277050 0.125428 O\n0.737026 0.277050 0.874572 O\n0.762974 0.722950 0.374572 O\n0.237026 0.722950 0.625428 O\n0.237026 0.722950 0.374572 O\n0.762974 0.722950 0.625428 O\n0.737026 0.277050 0.125428 O\n0.262974 0.277050 0.874572 O\n",
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{
"id": "mp-1041805",
"created_at": "2022-09-04T14:41:52.061016Z",
"structure_string": "Al2 Cr2 W4 O16\n1.0\n5.099578 0.003662 -0.132460\n0.001463 5.547299 0.000984\n0.154106 0.003346 9.173049\nAl Cr W O\n2 2 4 16\ndirect\n0.249759 0.652279 0.250103 Al\n0.750223 0.348153 0.749271 Al\n0.250090 0.638212 0.750673 Cr\n0.749911 0.361339 0.249141 Cr\n0.246356 0.162994 0.500989 W\n0.746543 0.836944 0.001119 W\n0.253172 0.163498 0.998642 W\n0.752341 0.836388 0.498973 W\n0.407082 0.382619 0.136234 O\n0.094633 0.382274 0.363763 O\n0.593315 0.617993 0.864074 O\n0.906445 0.617188 0.636534 O\n0.409166 0.882178 0.611860 O\n0.089276 0.883590 0.888029 O\n0.590397 0.118192 0.388464 O\n0.910944 0.116266 0.112483 O\n0.933013 0.621436 0.139719 O\n0.568410 0.622281 0.359907 O\n0.067200 0.377673 0.859975 O\n0.432094 0.379617 0.639145 O\n0.414861 0.874572 0.119188 O\n0.585216 0.126819 0.881048 O\n0.084247 0.872974 0.381392 O\n0.915304 0.124520 0.619273 O\n",
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"formula_full": "Al2 Cr2 W4 O16",
"formula_reduced": "AlCr(WO4)2",
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"spacegroup": 13
},
{
"id": "mp-1041800",
"created_at": "2022-09-04T14:39:22.923883Z",
"structure_string": "Zn4 W8 O16\n1.0\n3.202798 0.000000 0.000000\n0.000000 10.347326 0.000000\n0.000000 0.000000 10.482198\nZn W O\n4 8 16\ndirect\n0.034128 0.354968 0.750000 Zn\n0.034128 0.145032 0.250000 Zn\n0.965872 0.854968 0.750000 Zn\n0.965872 0.645032 0.250000 Zn\n0.698476 0.118579 0.926301 W\n0.698476 0.381421 0.426301 W\n0.301524 0.881421 0.426301 W\n0.698476 0.381421 0.073699 W\n0.301524 0.881421 0.073699 W\n0.698476 0.118579 0.573699 W\n0.301524 0.618579 0.573699 W\n0.301524 0.618579 0.926301 W\n0.197635 0.981969 0.611003 O\n0.802365 0.018031 0.388997 O\n0.193028 0.250000 0.500000 O\n0.802365 0.481969 0.611003 O\n0.802365 0.481969 0.888997 O\n0.562596 0.272531 0.250000 O\n0.197635 0.518031 0.388997 O\n0.437404 0.772531 0.250000 O\n0.193028 0.250000 0.000000 O\n0.806972 0.750000 0.500000 O\n0.197635 0.981969 0.888997 O\n0.437404 0.727469 0.750000 O\n0.562596 0.227469 0.750000 O\n0.806972 0.750000 0.000000 O\n0.197635 0.518031 0.111003 O\n0.802365 0.018031 0.111003 O\n",
"nsites": 28,
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"chemical_system": "O-W-Zn",
"density": 9.504540052824172,
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"volume": 347.384182378441,
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"formula_full": "Zn4 W8 O16",
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{
"id": "mp-10418",
"created_at": "2022-09-04T14:44:18.479490Z",
"structure_string": "Rb2 Sb2 O4\n1.0\n4.699047 4.059627 0.000000\n-4.699047 4.059627 0.000000\n0.000000 3.155868 4.718877\nRb Sb O\n2 2 4\ndirect\n0.642841 0.357159 0.250000 Rb\n0.357159 0.642841 0.750000 Rb\n0.915148 0.084852 0.750000 Sb\n0.084852 0.915148 0.250000 Sb\n0.775757 0.869856 0.212437 O\n0.130144 0.224243 0.287563 O\n0.869856 0.775757 0.712437 O\n0.224243 0.130144 0.787563 O\n",
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"formula_full": "Rb2 Sb2 O4",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:37.340000Z",
"spacegroup": 15
},
{
"id": "mp-1041794",
"created_at": "2022-09-04T14:42:20.652716Z",
"structure_string": "Mg4 Sn8 O16\n1.0\n6.151294 0.000000 0.000000\n0.000000 6.988357 0.000000\n0.000000 0.000000 11.199085\nMg Sn O\n4 8 16\ndirect\n0.500000 0.427689 0.000000 Mg\n0.000000 0.572311 0.500000 Mg\n0.500000 0.742773 0.500000 Mg\n0.000000 0.257227 0.000000 Mg\n0.000000 0.902486 0.297696 Sn\n0.000000 0.902486 0.702304 Sn\n0.500000 0.097514 0.202304 Sn\n0.500000 0.097514 0.797696 Sn\n0.250000 0.500000 0.250000 Sn\n0.750000 0.500000 0.750000 Sn\n0.750000 0.500000 0.250000 Sn\n0.250000 0.500000 0.750000 Sn\n0.000000 0.388584 0.353357 O\n0.000000 0.388584 0.646643 O\n0.500000 0.611416 0.146643 O\n0.500000 0.611416 0.853357 O\n0.000000 0.665433 0.170638 O\n0.000000 0.665433 0.829362 O\n0.500000 0.334567 0.329362 O\n0.500000 0.334567 0.670638 O\n0.253866 0.278330 0.118571 O\n0.746134 0.278330 0.881429 O\n0.753866 0.721670 0.381429 O\n0.246134 0.721670 0.618571 O\n0.246134 0.721670 0.381429 O\n0.753866 0.721670 0.618571 O\n0.746134 0.278330 0.118571 O\n0.253866 0.278330 0.881429 O\n",
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"formula_full": "Mg4 Sn8 O16",
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"spacegroup": 59
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{
"id": "mp-1041793",
"created_at": "2022-09-04T14:45:32.535040Z",
"structure_string": "Ca4 Cu8 O16\n1.0\n5.143619 0.000000 0.000000\n0.000000 5.913675 0.000000\n0.000000 0.000000 10.979261\nCa Cu O\n4 8 16\ndirect\n0.855180 0.000000 0.500000 Ca\n0.144820 0.500000 0.000000 Ca\n0.533693 0.000000 0.000000 Ca\n0.466307 0.500000 0.500000 Ca\n0.505358 0.500000 0.239909 Cu\n0.505358 0.500000 0.760091 Cu\n0.494642 0.000000 0.260091 Cu\n0.494642 0.000000 0.739909 Cu\n0.000000 0.250000 0.250000 Cu\n0.000000 0.750000 0.750000 Cu\n0.000000 0.750000 0.250000 Cu\n0.000000 0.250000 0.750000 Cu\n0.839525 0.500000 0.152142 O\n0.839525 0.500000 0.847858 O\n0.160475 0.000000 0.347858 O\n0.160475 0.000000 0.652142 O\n0.175738 0.500000 0.339119 O\n0.175738 0.500000 0.660881 O\n0.824262 0.000000 0.160881 O\n0.824262 0.000000 0.839119 O\n0.664988 0.253787 0.353529 O\n0.664988 0.746213 0.646471 O\n0.335012 0.753787 0.146471 O\n0.335012 0.246213 0.853529 O\n0.335012 0.246213 0.146471 O\n0.335012 0.753787 0.853529 O\n0.664988 0.746213 0.353529 O\n0.664988 0.253787 0.646471 O\n",
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{
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"structure_string": "Y2 Fe6 F30\n1.0\n11.263517 0.000000 0.000000\n0.000000 5.896786 0.000000\n0.000000 2.721144 8.948258\nY Fe F\n2 6 30\ndirect\n0.750000 0.516757 0.738777 Y\n0.250000 0.483243 0.261223 Y\n0.500000 0.000000 0.500000 Fe\n0.492360 0.031864 0.155815 Fe\n0.507640 0.968136 0.844185 Fe\n0.000000 0.000000 0.500000 Fe\n0.007640 0.031864 0.155815 Fe\n0.992360 0.968136 0.844185 Fe\n0.750000 0.602406 0.497030 F\n0.750000 0.608714 0.289970 F\n0.750000 0.614876 0.932659 F\n0.250000 0.397594 0.502970 F\n0.250000 0.385124 0.067341 F\n0.250000 0.391286 0.710030 F\n0.422261 0.103710 0.647133 F\n0.396218 0.169777 0.313760 F\n0.409999 0.126562 0.961591 F\n0.577739 0.896290 0.352867 F\n0.590001 0.873438 0.038409 F\n0.603782 0.830223 0.686240 F\n0.092827 0.749935 0.537949 F\n0.114212 0.760562 0.218509 F\n0.083448 0.706646 0.888114 F\n0.907173 0.250065 0.462051 F\n0.916552 0.293354 0.111886 F\n0.885788 0.239438 0.781491 F\n0.592827 0.250065 0.462051 F\n0.583448 0.293354 0.111886 F\n0.614212 0.239438 0.781491 F\n0.407173 0.749935 0.537949 F\n0.385788 0.760562 0.218509 F\n0.416552 0.706646 0.888114 F\n0.077739 0.103710 0.647133 F\n0.103782 0.169777 0.313760 F\n0.090001 0.126562 0.961591 F\n0.922261 0.896290 0.352867 F\n0.909999 0.873438 0.038409 F\n0.896218 0.830223 0.686240 F\n",
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{
"id": "mp-1041789",
"created_at": "2022-09-04T14:48:09.184744Z",
"structure_string": "Zn4 Cr8 O16\n1.0\n2.940471 0.000000 0.000000\n0.000000 9.667548 0.000000\n0.000000 0.000000 9.953584\nZn Cr O\n4 8 16\ndirect\n0.670326 0.854447 0.250000 Zn\n0.670326 0.645553 0.750000 Zn\n0.329674 0.354447 0.250000 Zn\n0.329674 0.145553 0.750000 Zn\n0.231236 0.616891 0.429737 Cr\n0.231236 0.883109 0.929737 Cr\n0.768764 0.383109 0.929737 Cr\n0.231236 0.883109 0.570263 Cr\n0.768764 0.383109 0.570263 Cr\n0.231236 0.616891 0.070263 Cr\n0.768764 0.116891 0.070263 Cr\n0.768764 0.116891 0.429737 Cr\n0.732314 0.481774 0.110327 O\n0.267686 0.518226 0.889673 O\n0.727863 0.750000 0.000000 O\n0.267686 0.981774 0.110327 O\n0.267686 0.981774 0.389673 O\n0.182320 0.788870 0.750000 O\n0.732314 0.018226 0.889673 O\n0.817680 0.288870 0.750000 O\n0.727863 0.750000 0.500000 O\n0.272137 0.250000 0.000000 O\n0.732314 0.481774 0.389673 O\n0.817680 0.211130 0.250000 O\n0.182320 0.711130 0.250000 O\n0.272137 0.250000 0.500000 O\n0.732314 0.018226 0.610327 O\n0.267686 0.518226 0.610327 O\n",
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{
"id": "mp-1041785",
"created_at": "2022-09-04T14:39:10.662873Z",
"structure_string": "Mg4 Ag8 O16\n1.0\n5.577794 0.000189 0.001011\n-0.000419 6.343882 -0.035822\n0.002246 -0.061294 10.998132\nMg Ag O\n4 8 16\ndirect\n0.865065 0.249134 0.749947 Mg\n0.135236 0.750128 0.250139 Mg\n0.579735 0.250716 0.250278 Mg\n0.419159 0.749649 0.749675 Mg\n0.534958 0.749431 0.464787 Ag\n0.535615 0.751118 0.035409 Ag\n0.464517 0.250366 0.534926 Ag\n0.464898 0.249248 0.964839 Ag\n0.999910 0.499874 0.499969 Ag\n0.000457 0.000195 0.000108 Ag\n0.999948 0.000101 0.499906 Ag\n0.000394 0.499889 0.000113 Ag\n0.895273 0.743514 0.386164 O\n0.895733 0.757570 0.114137 O\n0.104963 0.256383 0.613833 O\n0.105383 0.242534 0.885847 O\n0.223090 0.744035 0.586033 O\n0.222348 0.756167 0.914491 O\n0.776111 0.255975 0.413946 O\n0.777799 0.244083 0.085635 O\n0.649173 0.501908 0.683797 O\n0.649309 0.997087 0.816261 O\n0.350511 0.002439 0.318571 O\n0.351048 0.498384 0.181283 O\n0.350466 0.497995 0.316151 O\n0.350390 0.002988 0.183824 O\n0.648728 0.997387 0.681463 O\n0.649783 0.501699 0.818470 O\n",
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