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{
"id": "mp-1640489",
"created_at": "2022-09-04T14:42:54.984272Z",
"structure_string": "K4 Mn4 P12 H4 O40\n1.0\n7.302045 0.013927 0.010905\n-2.195369 9.151995 8.704963\n0.157410 -4.831500 8.618616\nK Mn P H O\n4 4 12 4 40\ndirect\n0.827066 0.403263 0.854878 K\n0.326597 0.902516 0.355292 K\n0.172999 0.597654 0.143212 K\n0.672557 0.097249 0.643792 K\n0.750497 0.749624 0.251021 Mn\n0.749030 0.250363 0.249396 Mn\n0.250596 0.249589 0.751071 Mn\n0.249179 0.750611 0.749333 Mn\n0.422300 0.164868 0.048749 P\n0.922433 0.664802 0.548795 P\n0.577488 0.833614 0.952851 P\n0.077935 0.333527 0.452662 P\n0.668450 0.505110 0.198523 P\n0.168201 0.005116 0.698647 P\n0.330644 0.495384 0.801379 P\n0.830509 0.995329 0.301412 P\n0.985382 0.839064 0.943655 P\n0.485708 0.339095 0.443583 P\n0.014741 0.161533 0.056563 P\n0.514924 0.661592 0.556631 P\n0.499614 0.499909 0.997193 H\n0.999501 0.999914 0.497140 H\n0.502914 0.996664 0.996923 H\n0.004015 0.496080 0.495863 H\n0.218104 0.169210 0.114580 O\n0.718244 0.669287 0.614682 O\n0.780891 0.831936 0.885587 O\n0.281221 0.331816 0.385412 O\n0.492086 0.513425 0.117449 O\n0.991983 0.013425 0.617418 O\n0.507507 0.487221 0.883447 O\n0.007460 0.987226 0.383429 O\n0.436105 0.220769 0.892016 O\n0.935993 0.720899 0.392048 O\n0.564388 0.779238 0.109346 O\n0.064447 0.279356 0.609171 O\n0.593344 0.456434 0.363151 O\n0.093076 0.956412 0.863161 O\n0.407788 0.543890 0.637897 O\n0.907597 0.043883 0.137865 O\n0.553096 0.235685 0.122775 O\n0.053237 0.735836 0.622635 O\n0.445490 0.765039 0.877758 O\n0.945673 0.265183 0.377635 O\n0.787248 0.616447 0.197580 O\n0.287151 0.116431 0.697664 O\n0.214121 0.383505 0.803220 O\n0.713751 0.883540 0.303259 O\n0.789000 0.429794 0.160026 O\n0.288854 0.929819 0.660243 O\n0.210801 0.570558 0.840530 O\n0.710882 0.070616 0.340562 O\n0.981573 0.831453 0.097202 O\n0.481719 0.331411 0.597164 O\n0.017931 0.168512 0.903076 O\n0.517972 0.668528 0.403185 O\n0.939722 0.544523 0.582429 O\n0.439508 0.044465 0.082549 O\n0.060837 0.455391 0.418011 O\n0.560136 0.955317 0.918530 O\n0.928273 0.249719 0.100386 O\n0.428314 0.749759 0.600448 O\n0.070541 0.750808 0.898975 O\n0.570655 0.250762 0.398933 O\n",
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"formula_full": "K4 Mn4 P12 H4 O40",
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"energy": -475.90663209,
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"updated_at": "2021-11-28T01:36:09.936000Z",
"spacegroup": 1
},
{
"id": "mp-762142",
"created_at": "2022-09-04T14:42:53.874612Z",
"structure_string": "Li8 Fe12 Co4 O32\n1.0\n8.383332 -0.005507 0.000082\n-0.005487 8.314110 0.000974\n0.000166 0.000589 8.424906\nLi Fe Co O\n8 12 4 32\ndirect\n0.002183 0.002000 0.003237 Li\n0.247507 0.247529 0.246884 Li\n0.252685 0.752257 0.746607 Li\n0.497435 0.998085 0.503042 Li\n0.502325 0.497610 0.998287 Li\n0.747368 0.252327 0.751767 Li\n0.752752 0.747655 0.251614 Li\n0.997902 0.502388 0.498393 Li\n0.126899 0.122276 0.625255 Fe\n0.125749 0.371736 0.878289 Fe\n0.122228 0.624764 0.127131 Fe\n0.377860 0.375221 0.627087 Fe\n0.374292 0.628310 0.378218 Fe\n0.372929 0.877689 0.125185 Fe\n0.627521 0.377745 0.374748 Fe\n0.626159 0.127843 0.122020 Fe\n0.621342 0.874817 0.872747 Fe\n0.878602 0.125343 0.372829 Fe\n0.873675 0.872162 0.621902 Fe\n0.872561 0.622401 0.874741 Fe\n0.125344 0.876105 0.375061 Co\n0.374515 0.123736 0.875037 Co\n0.624887 0.624435 0.624800 Co\n0.875255 0.375570 0.124958 Co\n0.119173 0.102953 0.383807 O\n0.115457 0.884194 0.602525 O\n0.112137 0.612099 0.885208 O\n0.147377 0.130990 0.866528 O\n0.103485 0.384077 0.118137 O\n0.135860 0.359699 0.636268 O\n0.133775 0.648535 0.369007 O\n0.133828 0.866538 0.148091 O\n0.365924 0.133394 0.648001 O\n0.366318 0.351245 0.869020 O\n0.364105 0.640257 0.136138 O\n0.396578 0.615811 0.617962 O\n0.352428 0.868915 0.366488 O\n0.387809 0.387968 0.385303 O\n0.384487 0.115745 0.102560 O\n0.380703 0.897086 0.883650 O\n0.619077 0.398068 0.616168 O\n0.615289 0.617372 0.397403 O\n0.611262 0.886971 0.114875 O\n0.647069 0.368643 0.134308 O\n0.602041 0.115742 0.881055 O\n0.637257 0.139249 0.364644 O\n0.633091 0.851658 0.630412 O\n0.632473 0.633111 0.851838 O\n0.867776 0.366897 0.351868 O\n0.866818 0.148255 0.130715 O\n0.862757 0.860921 0.864424 O\n0.897835 0.884309 0.381021 O\n0.853218 0.631566 0.634392 O\n0.888746 0.113044 0.614928 O\n0.884782 0.382761 0.897563 O\n0.881092 0.602065 0.115993 O\n",
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"elements": [
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"formula_full": "Li8 Fe12 Co4 O32",
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{
"id": "mp-1212684",
"created_at": "2022-09-04T14:42:54.986120Z",
"structure_string": "Mg20 Mn16\n1.0\n0.000000 0.000000 2.863526\n9.868215 0.000000 0.000000\n0.000000 23.334880 0.000000\nMg Mn\n20 16\ndirect\n0.500000 0.393962 0.368453 Mg\n0.500000 0.606038 0.631547 Mg\n0.500000 0.106038 0.868453 Mg\n0.500000 0.893962 0.131547 Mg\n0.000000 0.375253 0.245943 Mg\n0.000000 0.624747 0.754057 Mg\n0.000000 0.124747 0.745943 Mg\n0.000000 0.875253 0.254057 Mg\n0.000000 0.115022 0.400463 Mg\n0.000000 0.884978 0.599537 Mg\n0.000000 0.384978 0.900463 Mg\n0.000000 0.615022 0.099537 Mg\n0.500000 0.231814 0.001389 Mg\n0.500000 0.768186 0.998611 Mg\n0.500000 0.268186 0.501389 Mg\n0.500000 0.731814 0.498611 Mg\n0.500000 0.343170 0.127274 Mg\n0.500000 0.656830 0.872726 Mg\n0.500000 0.156830 0.627274 Mg\n0.500000 0.843170 0.372726 Mg\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.120189 0.196677 Mn\n0.000000 0.879811 0.803323 Mn\n0.000000 0.379811 0.696677 Mn\n0.000000 0.620189 0.303323 Mn\n0.000000 0.383877 0.589402 Mn\n0.000000 0.616123 0.410598 Mn\n0.000000 0.116123 0.089402 Mn\n0.000000 0.883877 0.910598 Mn\n0.500000 0.127352 0.291980 Mn\n0.500000 0.872648 0.708020 Mn\n0.500000 0.372648 0.791980 Mn\n0.500000 0.627352 0.208020 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n",
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"elements": [
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"formula_full": "Mg20 Mn16",
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{
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"structure_string": "K3 Ru1 F6\n1.0\n0.000000 4.511486 4.511486\n4.511486 0.000000 4.511486\n4.511486 4.511486 0.000000\nK Ru F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ru\n0.223956 0.223956 0.776044 F\n0.223956 0.776044 0.776044 F\n0.776044 0.776044 0.223956 F\n0.223956 0.776044 0.223956 F\n0.776044 0.223956 0.776044 F\n0.776044 0.223956 0.223956 F\n",
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{
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"structure_string": "U6 P8\n1.0\n-4.088609 4.088609 4.088609\n4.088609 -4.088609 4.088609\n4.088609 4.088609 -4.088609\nU P\n6 8\ndirect\n0.875000 0.125000 0.750000 U\n0.375000 0.250000 0.625000 U\n0.125000 0.750000 0.875000 U\n0.750000 0.875000 0.125000 U\n0.250000 0.625000 0.375000 U\n0.625000 0.375000 0.250000 U\n0.659548 0.659548 0.659548 P\n0.500000 0.000000 0.340452 P\n0.000000 0.340452 0.500000 P\n0.340452 0.500000 0.000000 P\n0.000000 0.840452 0.500000 P\n0.840452 0.500000 0.000000 P\n0.159548 0.159548 0.159548 P\n0.500000 0.000000 0.840452 P\n",
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{
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{
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"created_at": "2022-09-04T14:42:55.160399Z",
"structure_string": "Cu2 Pt2 N8 Cl8\n1.0\n0.000000 0.000000 4.930658\n9.182890 0.000000 0.000000\n0.000000 9.182890 0.000000\nCu Pt N Cl\n2 2 8 8\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.503063 0.709746 N\n0.000000 0.496937 0.290254 N\n0.500000 0.996937 0.209746 N\n0.500000 0.003063 0.790254 N\n0.000000 0.709746 0.496937 N\n0.000000 0.290254 0.503063 N\n0.500000 0.209746 0.003063 N\n0.500000 0.790254 0.996937 N\n0.500000 0.500028 0.752011 Cl\n0.500000 0.499972 0.247989 Cl\n0.000000 0.999972 0.252011 Cl\n0.000000 0.000028 0.747989 Cl\n0.500000 0.752011 0.499972 Cl\n0.500000 0.247989 0.500028 Cl\n0.000000 0.252011 0.000028 Cl\n0.000000 0.747989 0.999972 Cl\n",
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{
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"structure_string": "Li6 Cu4 S6 O24\n1.0\n8.073663 -4.296194 0.000000\n8.073663 4.296194 0.000000\n5.787553 0.000000 7.081352\nLi Cu S O\n6 4 6 24\ndirect\n0.728227 0.078484 0.342295 Li\n0.657705 0.271773 0.921516 Li\n0.921516 0.657705 0.271773 Li\n0.078484 0.342295 0.728227 Li\n0.342295 0.728227 0.078484 Li\n0.271773 0.921516 0.657705 Li\n0.851998 0.851998 0.851998 Cu\n0.656022 0.656022 0.656022 Cu\n0.343978 0.343978 0.343978 Cu\n0.148002 0.148002 0.148002 Cu\n0.953753 0.250272 0.546742 S\n0.453258 0.046247 0.749728 S\n0.749728 0.453258 0.046247 S\n0.250272 0.546742 0.953753 S\n0.546742 0.953753 0.250272 S\n0.046247 0.749728 0.453258 S\n0.795972 0.449055 0.859604 O\n0.859604 0.795972 0.449055 O\n0.987103 0.195227 0.405680 O\n0.851336 0.142722 0.742121 O\n0.449055 0.859604 0.795972 O\n0.857278 0.257879 0.148664 O\n0.594320 0.012897 0.804773 O\n0.844878 0.456954 0.505064 O\n0.494936 0.155122 0.543046 O\n0.804773 0.594320 0.012897 O\n0.257879 0.148664 0.857278 O\n0.543046 0.494936 0.155122 O\n0.456954 0.505064 0.844878 O\n0.742121 0.851336 0.142722 O\n0.195227 0.405680 0.987103 O\n0.505064 0.844878 0.456954 O\n0.155122 0.543046 0.494936 O\n0.405680 0.987103 0.195227 O\n0.142722 0.742121 0.851336 O\n0.550945 0.140396 0.204028 O\n0.148664 0.857278 0.257879 O\n0.012897 0.804773 0.594320 O\n0.140396 0.204028 0.550945 O\n0.204028 0.550945 0.140396 O\n",
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