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{
"id": "mp-976804",
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{
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"formula_full": "Ce12 Al4",
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{
"id": "mp-864959",
"created_at": "2022-09-04T14:47:17.818337Z",
"structure_string": "Dy2 Cu1 Os1\n1.0\n0.000000 3.431335 3.431335\n3.431335 0.000000 3.431335\n3.431335 3.431335 0.000000\nDy Cu Os\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Os\n",
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"formula_full": "Dy2 Cu1 Os1",
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{
"id": "mp-1204711",
"created_at": "2022-09-04T14:47:15.633035Z",
"structure_string": "Hf4 W8 O32\n1.0\n9.300013 0.000000 0.000000\n0.000000 9.300013 0.000000\n0.000000 0.000000 9.300013\nHf W O\n4 8 32\ndirect\n0.748547 0.248547 0.251453 Hf\n0.248547 0.251453 0.748547 Hf\n0.251453 0.748547 0.248547 Hf\n0.751453 0.751453 0.751453 Hf\n0.148262 0.648262 0.851738 W\n0.648262 0.851738 0.148262 W\n0.851738 0.148262 0.648262 W\n0.351738 0.351738 0.351738 W\n0.407282 0.907282 0.592718 W\n0.907282 0.592718 0.407282 W\n0.592718 0.407282 0.907282 W\n0.092718 0.092718 0.092718 W\n0.258714 0.758714 0.741286 O\n0.758714 0.741286 0.258714 O\n0.741286 0.258714 0.758714 O\n0.241286 0.241286 0.241286 O\n0.516040 0.016040 0.483960 O\n0.016040 0.483960 0.516040 O\n0.483960 0.516040 0.016040 O\n0.983960 0.983960 0.983960 O\n0.960250 0.694192 0.818817 O\n0.181183 0.460250 0.805808 O\n0.194192 0.681183 0.039750 O\n0.460250 0.805808 0.181183 O\n0.681183 0.039750 0.194192 O\n0.694192 0.818817 0.960250 O\n0.039750 0.194192 0.681183 O\n0.818817 0.960250 0.694192 O\n0.805808 0.181183 0.460250 O\n0.539750 0.305808 0.318817 O\n0.318817 0.539750 0.305808 O\n0.305808 0.318817 0.539750 O\n0.547367 0.803066 0.688566 O\n0.311434 0.047367 0.696934 O\n0.303066 0.811434 0.452633 O\n0.047367 0.696934 0.311434 O\n0.811434 0.452633 0.303066 O\n0.803066 0.688566 0.547367 O\n0.452633 0.303066 0.811434 O\n0.688566 0.547367 0.803066 O\n0.696934 0.311434 0.047367 O\n0.952633 0.196934 0.188566 O\n0.188566 0.952633 0.196934 O\n0.196934 0.188566 0.952633 O\n",
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"formula_full": "Hf4 W8 O32",
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{
"id": "mp-33314",
"created_at": "2022-09-04T14:47:15.655551Z",
"structure_string": "Li6 Mn4 O8\n1.0\n-3.126374 3.136852 4.247517\n3.126374 -3.136852 4.247517\n3.126374 3.136852 -4.247517\nLi Mn O\n6 4 8\ndirect\n0.132837 0.382837 0.750000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.867163 0.617163 0.250000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.733244 0.726955 0.493711 O\n0.756947 0.254789 0.502158 O\n0.252631 0.254789 0.997842 O\n0.266756 0.760467 0.993711 O\n0.747369 0.745211 0.002158 O\n0.733244 0.239533 0.006289 O\n0.266756 0.273045 0.506289 O\n0.243053 0.745211 0.497842 O\n",
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"elements": [
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"density": 3.880677791841806,
"density_atomic": 0.10802951567013365,
"volume": 166.6211302378019,
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"formula_full": "Li6 Mn4 O8",
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"energy": -121.67247937,
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"spacegroup": 74
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{
"id": "mp-1196301",
"created_at": "2022-09-04T14:47:15.656834Z",
"structure_string": "La16 Mn8 Se16 O16\n1.0\n4.033706 0.000000 0.000000\n0.000000 16.635522 0.000000\n0.000000 0.000000 17.846066\nLa Mn Se O\n16 8 16 16\ndirect\n0.000527 0.977635 0.088739 La\n0.500527 0.022365 0.911261 La\n0.500527 0.477635 0.411261 La\n0.000527 0.522365 0.588739 La\n0.505212 0.483855 0.088781 La\n0.005212 0.516145 0.911219 La\n0.005212 0.983855 0.411219 La\n0.505212 0.016145 0.588781 La\n0.005839 0.676893 0.084164 La\n0.505839 0.323107 0.915836 La\n0.505839 0.176893 0.415836 La\n0.005839 0.823107 0.584164 La\n0.501638 0.170356 0.086414 La\n0.001638 0.829644 0.913586 La\n0.001638 0.670356 0.413586 La\n0.501638 0.329644 0.586414 La\n0.017231 0.388351 0.751012 Mn\n0.517231 0.611649 0.248988 Mn\n0.517231 0.888351 0.748988 Mn\n0.017231 0.111649 0.251012 Mn\n0.509153 0.834802 0.277420 Mn\n0.009153 0.165198 0.722580 Mn\n0.009153 0.334802 0.222580 Mn\n0.509153 0.665198 0.777420 Mn\n0.001306 0.011883 0.748979 Se\n0.501306 0.988117 0.251021 Se\n0.501306 0.511883 0.751021 Se\n0.001306 0.488117 0.248979 Se\n0.002211 0.330267 0.074670 Se\n0.502211 0.669733 0.925330 Se\n0.502211 0.830267 0.425330 Se\n0.002211 0.169733 0.574670 Se\n0.505983 0.827639 0.062744 Se\n0.005983 0.172361 0.937256 Se\n0.005983 0.327639 0.437256 Se\n0.505983 0.672361 0.562744 Se\n0.009041 0.759034 0.747987 Se\n0.509041 0.240966 0.252013 Se\n0.509041 0.259034 0.752013 Se\n0.009041 0.740966 0.247987 Se\n0.002319 0.116627 0.136664 O\n0.502319 0.883373 0.863336 O\n0.502319 0.616627 0.363336 O\n0.002319 0.383373 0.636664 O\n0.506601 0.621645 0.133728 O\n0.006601 0.378355 0.866272 O\n0.006601 0.121645 0.366272 O\n0.506601 0.878355 0.633728 O\n0.000878 0.537481 0.454308 O\n0.500878 0.462519 0.545692 O\n0.500878 0.037481 0.045692 O\n0.000878 0.962519 0.954308 O\n0.505459 0.042162 0.456803 O\n0.005459 0.957838 0.543197 O\n0.005459 0.542162 0.043197 O\n0.505459 0.457838 0.956803 O\n",
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"formula_full": "La16 Mn8 Se16 O16",
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{
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"structure_string": "K4 P4 H8 O16\n1.0\n7.350921 0.000000 0.000000\n0.082217 7.481751 0.000000\n0.385736 0.274895 7.490020\nK P H O\n4 4 8 16\ndirect\n0.060227 0.820781 0.692579 K\n0.939773 0.179219 0.307421 K\n0.644306 0.246694 0.799212 K\n0.355694 0.753306 0.200788 K\n0.566033 0.753036 0.698365 P\n0.433967 0.246964 0.301635 P\n0.111527 0.276503 0.792437 P\n0.888473 0.723497 0.207563 P\n0.274219 0.136561 0.002996 H\n0.343025 0.560344 0.785081 H\n0.719947 0.590048 0.486802 H\n0.280053 0.409952 0.513198 H\n0.656975 0.439656 0.214919 H\n0.500000 0.000000 0.500000 H\n0.725781 0.863439 0.997004 H\n0.000000 0.500000 0.000000 H\n0.005157 0.653224 0.044783 O\n0.994843 0.346776 0.955217 O\n0.319976 0.120841 0.201700 O\n0.000731 0.814176 0.340343 O\n0.999269 0.185824 0.659657 O\n0.750693 0.871806 0.129494 O\n0.249307 0.128194 0.870506 O\n0.680024 0.879159 0.798300 O\n0.421165 0.661993 0.836017 O\n0.771142 0.568678 0.297215 O\n0.228858 0.431322 0.702785 O\n0.684023 0.591185 0.624442 O\n0.578835 0.338007 0.163983 O\n0.534704 0.154152 0.456768 O\n0.465296 0.845848 0.543232 O\n0.315977 0.408815 0.375558 O\n",
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{
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"structure_string": "Sr2 Cd1 Ag1\n1.0\n-6.700585 6.815479 9.457945\n6.700585 -6.815479 9.457945\n6.700585 6.815479 -9.457945\nSr Cd Ag\n2 1 1\ndirect\n0.766492 0.000000 0.766492 Sr\n0.233508 0.000000 0.233508 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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{
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