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{
"id": "mp-1045091",
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"structure_string": "Sr4 Al2 Ga2 W4 O14\n1.0\n5.370425 0.004623 -1.208561\n-0.323358 5.953692 -1.411591\n-0.091080 -0.371818 11.826170\nSr Al Ga W O\n4 2 2 4 14\ndirect\n0.153532 0.169791 0.306243 Sr\n0.834235 0.811481 0.687321 Sr\n0.659364 0.623474 0.312386 Sr\n0.329892 0.375527 0.679958 Sr\n0.456109 0.454356 0.981819 Al\n0.032358 0.996558 0.999692 Al\n0.221815 0.818837 0.496015 Ga\n0.722221 0.176640 0.499089 Ga\n0.442658 0.913250 0.870988 W\n0.085203 0.585903 0.132603 W\n0.941832 0.418999 0.867193 W\n0.565139 0.079545 0.133973 W\n0.700675 0.407824 0.103046 O\n0.889976 0.906878 0.502620 O\n0.210941 0.244290 0.121350 O\n0.838570 0.381422 0.651835 O\n0.801467 0.093983 0.885406 O\n0.279088 0.228876 0.850424 O\n0.387531 0.093885 0.499011 O\n0.091622 0.753761 0.873153 O\n0.594077 0.585112 0.885198 O\n0.354581 0.751826 0.641806 O\n0.175332 0.608485 0.346525 O\n0.713606 0.250851 0.356399 O\n0.902351 0.899865 0.109700 O\n0.396102 0.831029 0.194450 O\n",
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},
{
"id": "mp-1046781",
"created_at": "2022-09-04T14:44:51.535954Z",
"structure_string": "Sr4 Al2 Ga2 W4 O14\n1.0\n-5.686451 0.000000 0.000000\n-0.134677 -6.135970 0.000000\n2.822404 2.932437 11.077237\nSr Al Ga W O\n4 2 2 4 14\ndirect\n0.880459 0.814217 0.696508 Sr\n0.148297 0.216963 0.330470 Sr\n0.348211 0.363352 0.691608 Sr\n0.653648 0.615484 0.316842 Sr\n0.381874 0.598672 0.976030 Al\n0.952508 0.123477 0.053354 Al\n0.720531 0.167817 0.506598 Ga\n0.228527 0.829360 0.504932 Ga\n0.582603 0.070440 0.145545 W\n0.922541 0.389114 0.858165 W\n0.093099 0.585496 0.143068 W\n0.451869 0.930712 0.851970 W\n0.609464 0.598209 0.892413 O\n0.391995 0.092313 0.501661 O\n0.154899 0.707519 0.871515 O\n0.217213 0.631513 0.353635 O\n0.940487 0.918780 0.148000 O\n0.431182 0.739826 0.133163 O\n0.892391 0.895840 0.497124 O\n0.253827 0.249673 0.141970 O\n0.816928 0.359473 0.157950 O\n0.691327 0.228275 0.355077 O\n0.841117 0.390741 0.645394 O\n0.339361 0.740431 0.645782 O\n0.666391 0.124290 0.788893 O\n0.181330 0.155563 0.804135 O\n",
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"elements": [
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"formula_full": "Sr4 Al2 Ga2 W4 O14",
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"updated_at": "2021-11-28T01:36:40.660000Z",
"spacegroup": 1
},
{
"id": "mp-1046771",
"created_at": "2022-09-04T14:45:55.514346Z",
"structure_string": "Sr4 Al2 V4 Ga2 O14\n1.0\n11.027579 4.012207 0.000000\n-11.027579 4.012207 0.000000\n0.000000 3.803227 4.086444\nSr Al V Ga O\n4 2 4 2 14\ndirect\n0.894232 0.691182 0.965265 Sr\n0.121544 0.312000 0.035049 Sr\n0.312000 0.121544 0.035049 Sr\n0.691182 0.894232 0.965265 Sr\n0.398402 0.935405 0.012168 Al\n0.935405 0.398402 0.012168 Al\n0.077791 0.446862 0.482972 V\n0.446862 0.077791 0.482972 V\n0.556965 0.916466 0.521793 V\n0.916466 0.556965 0.521793 V\n0.337444 0.337444 0.440789 Ga\n0.677722 0.677722 0.611433 Ga\n0.169086 0.794805 0.985824 O\n0.393485 0.393485 0.726625 O\n0.265351 0.883861 0.365174 O\n0.719985 0.873865 0.430974 O\n0.387635 0.771557 0.028149 O\n0.222084 0.597989 0.678566 O\n0.626340 0.626340 0.001273 O\n0.794805 0.169086 0.985824 O\n0.883861 0.265351 0.365174 O\n0.133825 0.285542 0.507059 O\n0.285542 0.133825 0.507059 O\n0.873865 0.719985 0.430974 O\n0.597989 0.222084 0.678566 O\n0.771557 0.387635 0.028149 O\n",
"nsites": 26,
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"elements": [
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"formula_full": "Sr4 Al2 V4 Ga2 O14",
"formula_reduced": "Sr2AlV2GaO7",
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"updated_at": "2021-11-28T01:37:14.887000Z",
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},
{
"id": "mp-568450",
"created_at": "2022-09-04T14:40:33.490952Z",
"structure_string": "Sr4 Al4 H20\n1.0\n4.508000 0.000000 0.000000\n0.000000 5.200000 0.000000\n0.000000 0.000000 12.679000\nSr Al H\n4 4 20\ndirect\n0.286000 0.146000 0.658000 Sr\n0.786000 0.354000 0.342000 Sr\n0.214000 0.854000 0.158000 Sr\n0.714000 0.646000 0.842000 Sr\n0.321000 0.133000 0.915000 Al\n0.821000 0.367000 0.085000 Al\n0.179000 0.867000 0.415000 Al\n0.679000 0.633000 0.585000 Al\n0.528000 0.391000 0.513000 H\n0.028000 0.109000 0.487000 H\n0.972000 0.609000 0.013000 H\n0.472000 0.891000 0.987000 H\n0.168000 0.913000 0.828000 H\n0.668000 0.587000 0.172000 H\n0.332000 0.087000 0.328000 H\n0.832000 0.413000 0.672000 H\n0.195000 0.390000 0.843000 H\n0.695000 0.110000 0.157000 H\n0.305000 0.610000 0.343000 H\n0.805000 0.890000 0.657000 H\n0.624000 0.136000 0.829000 H\n0.124000 0.364000 0.171000 H\n0.876000 0.864000 0.329000 H\n0.376000 0.636000 0.671000 H\n0.018000 0.134000 0.004000 H\n0.518000 0.366000 0.996000 H\n0.482000 0.866000 0.504000 H\n0.982000 0.634000 0.496000 H\n",
"nsites": 28,
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"elements": [
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],
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"density": 2.673731153860229,
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"formula_full": "Sr4 Al4 H20",
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"updated_at": "2021-11-28T01:34:54.104000Z",
"spacegroup": 19
},
{
"id": "mp-1208739",
"created_at": "2022-09-04T14:40:24.834788Z",
"structure_string": "Sr4 Al4 H4 O4 F16\n1.0\n10.549060 0.000000 0.000000\n0.000000 5.586893 0.000000\n0.000000 2.692592 8.254266\nSr Al H O F\n4 4 4 4 16\ndirect\n0.185115 0.863393 0.566395 Sr\n0.814885 0.136607 0.433605 Sr\n0.685115 0.136607 0.933605 Sr\n0.314885 0.863393 0.066395 Sr\n0.972674 0.823167 0.184257 Al\n0.027326 0.176833 0.815743 Al\n0.472674 0.176833 0.315743 Al\n0.527326 0.823167 0.684257 Al\n0.298944 0.405567 0.929238 H\n0.701056 0.594433 0.070762 H\n0.798944 0.594433 0.570762 H\n0.201056 0.405567 0.429238 H\n0.947084 0.878017 0.958850 O\n0.052916 0.121983 0.041150 O\n0.447084 0.121983 0.541150 O\n0.552916 0.878017 0.458850 O\n0.108075 0.465481 0.729600 F\n0.891925 0.534519 0.270400 F\n0.608075 0.534519 0.770400 F\n0.391925 0.465481 0.229600 F\n0.492745 0.894426 0.871386 F\n0.507255 0.105574 0.128614 F\n0.992745 0.105574 0.628614 F\n0.007255 0.894426 0.371386 F\n0.377535 0.664033 0.691784 F\n0.622465 0.335967 0.308216 F\n0.877535 0.335967 0.808216 F\n0.122465 0.664033 0.191784 F\n0.179595 0.998354 0.816655 F\n0.820405 0.001646 0.183345 F\n0.679595 0.001646 0.683345 F\n0.320405 0.998354 0.316655 F\n",
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"density": 2.834517047755501,
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"volume": 486.4772961110465,
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"formula_full": "Sr4 Al4 H4 O4 F16",
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{
"id": "mp-1198190",
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"structure_string": "Sr4 Al4 O8 F16\n1.0\n10.831698 0.000000 0.000000\n0.000000 5.278188 0.000000\n0.000000 2.316745 8.648112\nSr Al O F\n4 4 8 16\ndirect\n0.307403 0.872746 0.546394 Sr\n0.807403 0.127254 0.953606 Sr\n0.692597 0.127254 0.453606 Sr\n0.192597 0.872746 0.046394 Sr\n0.027467 0.201094 0.294350 Al\n0.527467 0.798906 0.205650 Al\n0.972533 0.798906 0.705650 Al\n0.472533 0.201094 0.794350 Al\n0.972086 0.890035 0.479237 O\n0.472086 0.109965 0.020763 O\n0.027914 0.109965 0.520763 O\n0.527914 0.890035 0.979237 O\n0.287010 0.398180 0.485411 O\n0.787010 0.601820 0.014589 O\n0.712990 0.601820 0.514589 O\n0.212990 0.398180 0.985411 O\n0.097167 0.505302 0.232529 F\n0.597167 0.494698 0.267471 F\n0.902833 0.494698 0.767471 F\n0.402833 0.505302 0.732529 F\n0.173242 0.023197 0.306311 F\n0.673242 0.976803 0.193689 F\n0.826758 0.976803 0.693689 F\n0.326758 0.023197 0.806311 F\n0.875737 0.318480 0.305711 F\n0.375737 0.681520 0.194289 F\n0.124263 0.681520 0.694289 F\n0.624263 0.318480 0.805711 F\n0.990334 0.091093 0.129645 F\n0.490334 0.908907 0.370355 F\n0.009666 0.908907 0.870355 F\n0.509666 0.091093 0.629645 F\n",
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"formula_full": "Sr4 Al4 O8 F16",
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},
{
"id": "mp-1199082",
"created_at": "2022-09-04T14:48:28.351125Z",
"structure_string": "Sr4 Al4 O8 F16\n1.0\n2.668304 6.499726 0.000000\n-2.668304 6.499726 0.000000\n0.000000 4.574023 13.455916\nSr Al O F\n4 4 8 16\ndirect\n0.987457 0.351538 0.653589 Sr\n0.648462 0.012543 0.846411 Sr\n0.012543 0.648462 0.346411 Sr\n0.351538 0.987457 0.153589 Sr\n0.997569 0.217734 0.914121 Al\n0.782266 0.002431 0.585879 Al\n0.002431 0.782266 0.085879 Al\n0.217734 0.997569 0.414121 Al\n0.172136 0.833964 0.958129 O\n0.166036 0.827864 0.541871 O\n0.827864 0.166036 0.041871 O\n0.833964 0.172136 0.458129 O\n0.415162 0.796625 0.649401 O\n0.203375 0.584838 0.850599 O\n0.584838 0.203375 0.350599 O\n0.796625 0.415162 0.149401 O\n0.230494 0.166012 0.802795 F\n0.833988 0.769506 0.697205 F\n0.769506 0.833988 0.197205 F\n0.166012 0.230494 0.302795 F\n0.427160 0.225836 0.595925 F\n0.774164 0.572840 0.904075 F\n0.572840 0.774164 0.404075 F\n0.225836 0.427160 0.095925 F\n0.762303 0.186132 0.661046 F\n0.813868 0.237697 0.838954 F\n0.237697 0.813868 0.338954 F\n0.186132 0.762303 0.161046 F\n0.141363 0.234400 0.480541 F\n0.765600 0.858637 0.019459 F\n0.858637 0.765600 0.519459 F\n0.234400 0.141363 0.980541 F\n",
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"volume": 466.7384926720134,
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"formula_full": "Sr4 Al4 O8 F16",
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{
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"created_at": "2022-09-04T14:48:08.622464Z",
"structure_string": "Sr4 Al4 Si2 O14\n1.0\n7.912567 0.000000 0.000000\n0.000000 5.327881 0.000000\n0.000000 0.009029 7.927193\nSr Al Si O\n4 4 2 14\ndirect\n0.840054 0.513110 0.078343 Sr\n0.340054 0.486890 0.921657 Sr\n0.164703 0.509759 0.402152 Sr\n0.664703 0.490241 0.597848 Sr\n0.499867 0.999945 0.250040 Al\n0.999867 0.000055 0.749960 Al\n0.642114 0.966221 0.892245 Al\n0.142114 0.033779 0.107755 Al\n0.358422 0.960016 0.608016 Si\n0.858422 0.039984 0.391984 Si\n0.992664 0.162230 0.254523 O\n0.492664 0.837770 0.745477 O\n0.641153 0.290603 0.887253 O\n0.141153 0.709397 0.112747 O\n0.358103 0.263383 0.604415 O\n0.858103 0.736617 0.395585 O\n0.582723 0.814923 0.085037 O\n0.082723 0.185077 0.914963 O\n0.413756 0.825677 0.426089 O\n0.913756 0.174323 0.573911 O\n0.673889 0.171343 0.341547 O\n0.173889 0.828657 0.658453 O\n0.332550 0.188142 0.173282 O\n0.832550 0.811858 0.826718 O\n",
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{
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"formula_full": "Sr4 Al6 Cr1 O16",
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{
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"elements": [
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],
"chemical_system": "Al-Fe-O-Sr",
"density": 3.583175120411334,
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"formula_full": "Sr4 Al6 Fe2 O16",
"formula_reduced": "Sr2Al3FeO8",
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"updated_at": "2021-11-28T01:37:36.816000Z",
"spacegroup": 4
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{
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"created_at": "2022-09-04T14:40:26.008697Z",
"structure_string": "Sr4 Al6 Mo1 O16\n1.0\n-4.755067 4.755067 4.845394\n4.755067 -4.755067 4.845394\n4.755067 4.755067 -4.845394\nSr Al Mo O\n4 6 1 16\ndirect\n0.491370 0.991370 0.982740 Sr\n0.008630 0.991370 0.500000 Sr\n0.008630 0.508630 0.017260 Sr\n0.491370 0.508630 0.500000 Sr\n0.503590 0.251937 0.748348 Al\n0.750000 0.250000 0.500000 Al\n0.244758 0.496410 0.748348 Al\n0.250000 0.750000 0.500000 Al\n0.503590 0.755242 0.251652 Al\n0.748063 0.496410 0.251652 Al\n0.000000 0.000000 0.000000 Mo\n0.664391 0.001071 0.336681 O\n0.306574 0.652279 0.654296 O\n0.660597 0.339403 0.000000 O\n0.347721 0.002017 0.654296 O\n0.998929 0.335609 0.663319 O\n0.660597 0.660597 0.321194 O\n0.664391 0.327710 0.663319 O\n0.997983 0.652279 0.345704 O\n0.339403 0.660597 0.000000 O\n0.347721 0.693426 0.345704 O\n0.672290 0.335609 0.336681 O\n0.339403 0.339403 0.678806 O\n0.108294 0.954228 0.845935 O\n0.045772 0.891706 0.154065 O\n0.108294 0.262359 0.154065 O\n0.737641 0.891706 0.845935 O\n",
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],
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"density": 3.274998124192347,
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"formula_full": "Sr4 Al6 Mo1 O16",
"formula_reduced": "Sr4Al6MoO16",
"formula_anonymous": "AB4C6D16",
"energy": -208.03812843,
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"updated_at": "2021-11-28T01:34:52.310000Z",
"spacegroup": 119
},
{
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],
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}
]
}