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{
"id": "mp-1218333",
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"structure_string": "Sr4 Fe1 Mo1 O8\n1.0\n2.796242 -6.407213 0.000000\n2.796242 6.407213 0.000000\n0.000000 0.000000 5.661878\nSr Fe Mo O\n4 1 1 8\ndirect\n0.351772 0.648228 0.000000 Sr\n0.853850 0.146150 0.500000 Sr\n0.146150 0.853850 0.500000 Sr\n0.648228 0.351772 0.000000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Mo\n0.161201 0.838799 0.000000 O\n0.661300 0.338700 0.500000 O\n0.338700 0.661300 0.500000 O\n0.838799 0.161201 0.000000 O\n0.254293 0.254293 0.250941 O\n0.745707 0.745707 0.749059 O\n0.254293 0.254293 0.749059 O\n0.745707 0.745707 0.250941 O\n",
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{
"id": "mp-1173281",
"created_at": "2022-09-04T14:40:29.253612Z",
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"elements": [
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"density": 5.453581490445331,
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"volume": 1288.0408259022176,
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"formula_full": "Sr20 Fe10 Mo10 O60",
"formula_reduced": "Sr2FeMoO6",
"formula_anonymous": "ABC2D6",
"energy": -776.89342202,
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"spacegroup": 3
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{
"id": "mp-690817",
"created_at": "2022-09-04T14:44:25.444612Z",
"structure_string": "Sr1 Fe1 Mo1 O5\n1.0\n4.857846 0.000000 0.000000\n-0.298179 4.976731 0.000000\n-2.036499 -2.353037 5.223466\nSr Fe Mo O\n1 1 1 5\ndirect\n0.282351 0.272493 0.488884 Sr\n0.922740 0.925458 0.861995 Fe\n0.555510 0.556537 0.112369 Mo\n0.854106 0.874299 0.176145 O\n0.669865 0.277291 0.884820 O\n0.683610 0.686682 0.482587 O\n0.256469 0.646598 0.888753 O\n0.272448 0.257742 0.098646 O\n",
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"formula_full": "Sr1 Fe1 Mo1 O5",
"formula_reduced": "SrFeMoO5",
"formula_anonymous": "ABCD5",
"energy": -62.90229076,
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"updated_at": "2021-11-28T01:36:20.329000Z",
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{
"id": "mp-19127",
"created_at": "2022-09-04T14:45:16.746298Z",
"structure_string": "Sr4 Fe2 Mo2 O12\n1.0\n2.852826 2.852662 -3.947665\n-0.000008 -5.706301 -7.896042\n-2.852834 2.852663 -3.947671\nSr Fe Mo O\n4 2 2 12\ndirect\n0.624997 0.124991 0.624996 Sr\n0.125001 0.624972 0.125001 Sr\n0.375016 0.875004 0.375016 Sr\n0.875020 0.374988 0.875021 Sr\n0.499302 0.500626 0.499302 Fe\n0.999313 0.000653 0.999314 Fe\n0.250324 0.249670 0.250324 Mo\n0.750321 0.749673 0.750321 Mo\n0.127969 0.127921 0.127966 O\n0.627965 0.627910 0.627966 O\n0.872075 0.872083 0.872074 O\n0.372071 0.372068 0.372073 O\n0.374101 0.875307 0.875291 O\n0.874113 0.375299 0.375286 O\n0.126104 0.624556 0.624814 O\n0.626100 0.124558 0.124817 O\n0.875292 0.875307 0.374101 O\n0.375286 0.375299 0.874112 O\n0.624814 0.624556 0.126104 O\n0.124817 0.124559 0.626101 O\n",
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"formula_full": "Sr4 Fe2 Mo2 O12",
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"spacegroup": 225
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{
"id": "mp-1218610",
"created_at": "2022-09-04T14:43:54.111624Z",
"structure_string": "Sr5 Fe1 Mo4 O15\n1.0\n2.881064 8.601403 0.000000\n-2.881064 8.601403 0.000000\n0.000000 1.906247 6.740726\nSr Fe Mo O\n5 1 4 15\ndirect\n0.808203 0.808203 0.285151 Sr\n0.594188 0.594188 0.091541 Sr\n0.191797 0.191797 0.714849 Sr\n0.405812 0.405812 0.908459 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Fe\n0.599552 0.599552 0.599566 Mo\n0.198566 0.198566 0.201822 Mo\n0.801434 0.801434 0.798178 Mo\n0.400448 0.400448 0.400434 Mo\n0.198778 0.701863 0.203275 O\n0.000000 0.500000 0.000000 O\n0.604713 0.097585 0.601053 O\n0.801222 0.298137 0.796725 O\n0.395287 0.902415 0.398947 O\n0.303277 0.303277 0.303626 O\n0.098153 0.098153 0.095928 O\n0.696723 0.696723 0.696374 O\n0.901847 0.901847 0.904072 O\n0.500000 0.500000 0.500000 O\n0.097585 0.604713 0.601053 O\n0.902415 0.395287 0.398947 O\n0.500000 0.000000 0.000000 O\n0.701863 0.198778 0.203275 O\n0.298137 0.801222 0.796725 O\n",
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"formula_full": "Sr5 Fe1 Mo4 O15",
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{
"id": "mp-1218650",
"created_at": "2022-09-04T14:45:15.910931Z",
"structure_string": "Sr6 Fe4 Mo2 O18\n1.0\n4.004521 8.917173 0.000000\n-4.004521 8.917173 0.000000\n0.000000 1.774495 5.343230\nSr Fe Mo O\n6 4 2 18\ndirect\n0.917541 0.399196 0.843572 Sr\n0.233117 0.766883 0.500000 Sr\n0.600804 0.082459 0.156428 Sr\n0.766883 0.233117 0.500000 Sr\n0.082459 0.600804 0.156428 Sr\n0.399196 0.917541 0.843572 Sr\n0.500000 0.500000 0.000000 Fe\n0.835104 0.835104 0.664311 Fe\n0.164896 0.164896 0.335689 Fe\n0.000000 0.000000 0.000000 Fe\n0.332230 0.332230 0.666093 Mo\n0.667770 0.667770 0.333907 Mo\n0.426083 0.911792 0.330577 O\n0.744303 0.255697 0.000000 O\n0.088208 0.573917 0.669423 O\n0.911792 0.426083 0.330577 O\n0.255697 0.744303 0.000000 O\n0.573917 0.088208 0.669423 O\n0.079047 0.079047 0.190970 O\n0.406337 0.406337 0.857232 O\n0.738845 0.738845 0.532571 O\n0.593663 0.593663 0.142768 O\n0.920953 0.920953 0.809030 O\n0.261155 0.261155 0.467429 O\n0.578528 0.578528 0.639873 O\n0.907131 0.907131 0.323243 O\n0.245104 0.245104 0.976865 O\n0.092869 0.092869 0.676757 O\n0.421472 0.421472 0.360127 O\n0.754896 0.754896 0.023135 O\n",
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"elements": [
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"formula_full": "Sr6 Fe4 Mo2 O18",
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"updated_at": "2021-11-28T01:36:58.699000Z",
"spacegroup": 12
},
{
"id": "mp-1218421",
"created_at": "2022-09-04T14:47:25.037155Z",
"structure_string": "Sr3 Fe1 Mo1 O7\n1.0\n-2.018304 2.018304 10.353567\n2.018304 -2.018304 10.353567\n2.018304 2.018304 -10.353567\nSr Fe Mo O\n3 1 1 7\ndirect\n0.685983 0.685983 0.000000 Sr\n0.320542 0.320542 0.000000 Sr\n0.487171 0.487171 0.000000 Sr\n0.896234 0.896234 0.000000 Fe\n0.096815 0.096815 0.000000 Mo\n0.800979 0.800979 0.000000 O\n0.192666 0.192666 0.000000 O\n0.906488 0.406488 0.500000 O\n0.406488 0.906488 0.500000 O\n0.099805 0.599805 0.500000 O\n0.599805 0.099805 0.500000 O\n0.007024 0.007024 0.000000 O\n",
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"volume": 168.70313433381,
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"formula_full": "Sr3 Fe1 Mo1 O7",
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"updated_at": "2021-11-28T01:38:02.314000Z",
"spacegroup": 107
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{
"id": "mp-1218828",
"created_at": "2022-09-04T14:46:53.642402Z",
"structure_string": "Sr8 Fe4 O12 F4\n1.0\n-3.929897 3.929765 0.000044\n-3.929900 -3.929768 0.000044\n-3.930044 -0.000002 13.032650\nSr Fe O F\n8 4 12 4\ndirect\n0.182624 0.182622 0.634765 Sr\n0.682625 0.682622 0.634765 Sr\n0.432622 0.932624 0.134772 Sr\n0.932622 0.432624 0.134772 Sr\n0.068289 0.568289 0.863412 Sr\n0.568289 0.068289 0.863413 Sr\n0.318291 0.318290 0.363407 Sr\n0.818291 0.818290 0.363407 Sr\n0.009237 0.009231 0.981520 Fe\n0.259230 0.759237 0.481520 Fe\n0.509255 0.509243 0.981488 Fe\n0.759244 0.259256 0.481487 Fe\n0.084236 0.084238 0.831500 O\n0.584236 0.584238 0.831499 O\n0.334248 0.834246 0.331506 O\n0.834249 0.334246 0.331504 O\n0.997113 0.997105 0.505770 O\n0.497112 0.497108 0.505770 O\n0.247119 0.747127 0.005772 O\n0.747122 0.247126 0.005772 O\n0.497106 0.997109 0.505769 O\n0.997108 0.497112 0.505770 O\n0.747126 0.747122 0.005772 O\n0.247123 0.247120 0.005771 O\n0.161380 0.661378 0.677277 F\n0.661380 0.161378 0.677278 F\n0.411360 0.411361 0.177272 F\n0.911360 0.911362 0.177271 F\n",
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"formula_full": "Sr8 Fe4 O12 F4",
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{
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{
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