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{
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"elements": [
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"spacegroup": 1
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{
"id": "mp-531088",
"created_at": "2022-09-04T14:40:43.286216Z",
"structure_string": "Mg12 Fe24 O48\n1.0\n5.109497 -0.055181 2.924028\n1.669665 4.722525 2.891944\n-0.043719 -0.268263 35.166639\nMg Fe O\n12 24 48\ndirect\n0.135115 0.121614 0.020276 Mg\n0.004639 0.497858 0.083274 Mg\n0.136171 0.121073 0.186947 Mg\n0.002388 0.502366 0.248813 Mg\n0.001159 0.500660 0.416254 Mg\n0.501997 0.503277 0.331908 Mg\n0.000154 0.499994 0.583309 Mg\n0.500424 0.500608 0.499727 Mg\n0.999315 0.499403 0.750313 Mg\n0.499961 0.499440 0.666860 Mg\n0.499308 0.497096 0.834416 Mg\n0.001162 0.496455 0.917655 Mg\n0.496539 0.496784 0.001649 Fe\n0.497448 0.501777 0.083590 Fe\n0.497948 0.502466 0.166187 Fe\n0.133776 0.117217 0.355299 Fe\n0.497448 0.999232 0.083590 Fe\n0.499323 0.499889 0.248570 Fe\n0.133486 0.116434 0.522274 Fe\n0.860118 0.881568 0.146124 Fe\n0.499323 0.009368 0.248570 Fe\n0.500792 0.500272 0.416185 Fe\n0.866961 0.884042 0.310826 Fe\n0.133104 0.115675 0.689257 Fe\n0.500792 0.001830 0.416185 Fe\n0.500135 0.499990 0.583307 Fe\n0.499742 0.998438 0.750427 Fe\n0.867423 0.884148 0.477381 Fe\n0.131574 0.116616 0.855866 Fe\n0.500135 0.000033 0.583307 Fe\n0.499742 0.499258 0.750427 Fe\n0.866743 0.883548 0.644360 Fe\n0.498557 0.501072 0.918087 Fe\n0.866644 0.881988 0.811563 Fe\n0.498557 0.991854 0.918087 Fe\n0.859459 0.879662 0.980203 Fe\n0.280511 0.249317 0.043135 O\n0.279406 0.254032 0.118755 O\n0.280511 0.711359 0.043135 O\n0.711349 0.261377 0.044316 O\n0.276378 0.740653 0.123719 O\n0.283317 0.257903 0.207969 O\n0.727050 0.745999 0.046826 O\n0.723743 0.283052 0.123904 O\n0.283317 0.710967 0.207969 O\n0.272119 0.253827 0.286705 O\n0.715079 0.267955 0.208168 O\n0.723743 0.749777 0.123904 O\n0.271324 0.242058 0.377345 O\n0.278378 0.755279 0.285177 O\n0.723204 0.751444 0.212318 O\n0.734067 0.279481 0.286520 O\n0.274978 0.251428 0.453694 O\n0.271324 0.722548 0.377345 O\n0.725166 0.253057 0.378120 O\n0.734067 0.767331 0.286520 O\n0.269516 0.239980 0.544768 O\n0.276957 0.750169 0.453785 O\n0.731524 0.278742 0.454728 O\n0.726143 0.750093 0.378945 O\n0.274695 0.250451 0.620734 O\n0.269516 0.721893 0.544768 O\n0.724134 0.251128 0.545601 O\n0.731524 0.761368 0.454728 O\n0.269055 0.238625 0.711873 O\n0.276136 0.748912 0.621006 O\n0.725556 0.749545 0.545893 O\n0.273768 0.249975 0.787714 O\n0.730801 0.278086 0.621836 O\n0.269055 0.721083 0.711873 O\n0.723613 0.249907 0.712762 O\n0.730801 0.760096 0.621836 O\n0.267506 0.233009 0.879551 O\n0.275498 0.747165 0.788362 O\n0.729730 0.276823 0.789202 O\n0.725192 0.748580 0.712941 O\n0.267506 0.722184 0.879551 O\n0.281141 0.252307 0.952374 O\n0.721710 0.246097 0.881016 O\n0.729730 0.758235 0.789202 O\n0.275692 0.734630 0.959175 O\n0.728517 0.743987 0.880585 O\n0.719195 0.281826 0.959287 O\n0.719195 0.743257 0.959287 O\n",
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"elements": [
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"volume": 855.0663851336773,
"volume_molar": 6.130154917165924,
"formula_full": "Mg12 Fe24 O48",
"formula_reduced": "Mg(FeO2)2",
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"energy": -625.98286076,
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"updated_at": "2021-11-28T01:35:08.375000Z",
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{
"id": "mp-646599",
"created_at": "2022-09-04T14:41:53.994018Z",
"structure_string": "K4 Co16 P12 O48\n1.0\n6.200488 0.000000 0.000000\n0.000000 9.826762 0.000000\n0.000000 0.000000 16.656623\nK Co P O\n4 16 12 48\ndirect\n0.500000 0.207374 0.965811 K\n0.500000 0.792626 0.034189 K\n0.000000 0.707374 0.534189 K\n0.000000 0.292626 0.465811 K\n0.500000 0.486518 0.361946 Co\n0.751198 0.744168 0.296349 Co\n0.748802 0.244168 0.203651 Co\n0.000000 0.470087 0.908562 Co\n0.000000 0.013482 0.861946 Co\n0.500000 0.970087 0.591438 Co\n0.748802 0.755832 0.796349 Co\n0.751198 0.255832 0.703651 Co\n0.251198 0.244168 0.203651 Co\n0.248802 0.255832 0.703651 Co\n0.000000 0.529913 0.091438 Co\n0.251198 0.755832 0.796349 Co\n0.248802 0.744168 0.296349 Co\n0.500000 0.029913 0.408562 Co\n0.500000 0.513482 0.638054 Co\n0.000000 0.986518 0.138054 Co\n0.500000 0.043471 0.782161 P\n0.500000 0.537601 0.164554 P\n0.500000 0.289885 0.536334 P\n0.500000 0.710115 0.463666 P\n0.000000 0.962399 0.664554 P\n0.000000 0.037601 0.335446 P\n0.500000 0.462399 0.835446 P\n0.500000 0.956529 0.217839 P\n0.000000 0.456529 0.282161 P\n0.000000 0.543471 0.717839 P\n0.000000 0.210115 0.036334 P\n0.000000 0.789885 0.963666 P\n0.500000 0.886517 0.771268 O\n0.500000 0.619503 0.820097 O\n0.701397 0.582320 0.118713 O\n0.500000 0.639108 0.544364 O\n0.000000 0.634381 0.979776 O\n0.000000 0.113014 0.249268 O\n0.000000 0.365619 0.020224 O\n0.500000 0.887946 0.304592 O\n0.000000 0.886986 0.750732 O\n0.000000 0.613483 0.271268 O\n0.300300 0.666881 0.411133 O\n0.000000 0.119503 0.679903 O\n0.199700 0.166881 0.088867 O\n0.300300 0.333119 0.588867 O\n0.000000 0.612054 0.804592 O\n0.500000 0.613014 0.250732 O\n0.500000 0.113483 0.228732 O\n0.201397 0.082320 0.381287 O\n0.500000 0.112054 0.695408 O\n0.207038 0.404675 0.323536 O\n0.000000 0.387946 0.195408 O\n0.798603 0.082320 0.381287 O\n0.701397 0.417680 0.881287 O\n0.707038 0.095325 0.823536 O\n0.800300 0.833119 0.911133 O\n0.792962 0.595325 0.676464 O\n0.201397 0.917680 0.618713 O\n0.707038 0.904675 0.176464 O\n0.699700 0.333119 0.588867 O\n0.292962 0.095325 0.823536 O\n0.000000 0.860892 0.044364 O\n0.792962 0.404675 0.323536 O\n0.500000 0.134381 0.520224 O\n0.798603 0.917680 0.618713 O\n0.699700 0.666881 0.411133 O\n0.298603 0.582320 0.118713 O\n0.000000 0.880497 0.320097 O\n0.000000 0.386517 0.728732 O\n0.298603 0.417680 0.881287 O\n0.800300 0.166881 0.088867 O\n0.292962 0.904675 0.176464 O\n0.500000 0.386986 0.749268 O\n0.207038 0.595325 0.676464 O\n0.500000 0.380497 0.179903 O\n0.500000 0.865619 0.479776 O\n0.500000 0.360892 0.455636 O\n0.199700 0.833119 0.911133 O\n0.000000 0.139108 0.955636 O\n",
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"formula_full": "K4 Co16 P12 O48",
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{
"id": "mp-559685",
"created_at": "2022-09-04T14:40:07.126152Z",
"structure_string": "V8 Cd16 Te12 O60\n1.0\n5.479855 0.000000 0.000000\n0.000000 16.378369 0.000000\n0.000000 0.000000 16.686797\nV Cd Te O\n8 16 12 60\ndirect\n0.214749 0.916942 0.431019 V\n0.691718 0.750886 0.061279 V\n0.808282 0.249114 0.561279 V\n0.191718 0.749114 0.938721 V\n0.308282 0.250886 0.438721 V\n0.714749 0.583058 0.568981 V\n0.785251 0.416942 0.068981 V\n0.285251 0.083058 0.931019 V\n0.752744 0.413286 0.762700 Cd\n0.738924 0.912878 0.584570 Cd\n0.825514 0.085444 0.729848 Cd\n0.674486 0.914556 0.229848 Cd\n0.684536 0.746152 0.734833 Cd\n0.325514 0.414556 0.270152 Cd\n0.315464 0.246152 0.765167 Cd\n0.261076 0.412878 0.915430 Cd\n0.815464 0.253848 0.234833 Cd\n0.252744 0.086714 0.237300 Cd\n0.238924 0.587122 0.415430 Cd\n0.747256 0.586714 0.262700 Cd\n0.174486 0.585444 0.770152 Cd\n0.247256 0.913286 0.737300 Cd\n0.761076 0.087122 0.084570 Cd\n0.184536 0.753848 0.265167 Cd\n0.270817 0.425458 0.618961 Te\n0.202851 0.927381 0.106070 Te\n0.796601 0.249775 0.887737 Te\n0.797149 0.427381 0.393930 Te\n0.770817 0.074542 0.381039 Te\n0.702851 0.572619 0.893930 Te\n0.296601 0.250225 0.112263 Te\n0.229183 0.574542 0.118961 Te\n0.703399 0.750225 0.387737 Te\n0.729183 0.925458 0.881039 Te\n0.297149 0.072619 0.606070 Te\n0.203399 0.749775 0.612263 Te\n0.313732 0.854363 0.186810 O\n0.539861 0.505794 0.626529 O\n0.435590 0.177873 0.380887 O\n0.438787 0.522114 0.192414 O\n0.854693 0.655088 0.628459 O\n0.534467 0.325265 0.866372 O\n0.509637 0.180935 0.174935 O\n0.940391 0.143890 0.309973 O\n0.645307 0.344912 0.128459 O\n0.935590 0.322127 0.619113 O\n0.034467 0.174735 0.133628 O\n0.440391 0.356110 0.690027 O\n0.490363 0.680935 0.325065 O\n0.806872 0.829248 0.114424 O\n0.487372 0.507760 0.828886 O\n0.009637 0.319065 0.825065 O\n0.354693 0.844912 0.371541 O\n0.948333 0.709306 0.003112 O\n0.529965 0.498045 0.370103 O\n0.686268 0.354363 0.313190 O\n0.994623 0.366278 0.009545 O\n0.938787 0.977886 0.807586 O\n0.448333 0.790694 0.996888 O\n0.965533 0.674735 0.366372 O\n0.061213 0.477886 0.692414 O\n0.505377 0.633722 0.509545 O\n0.064155 0.038502 0.991376 O\n0.470035 0.998045 0.129897 O\n0.005377 0.866278 0.490455 O\n0.813732 0.645637 0.813190 O\n0.327775 0.684495 0.697158 O\n0.935845 0.538502 0.508624 O\n0.145307 0.155088 0.871541 O\n0.435845 0.961498 0.491376 O\n0.029965 0.001955 0.629897 O\n0.460139 0.005794 0.873471 O\n0.193128 0.329248 0.385576 O\n0.039861 0.994206 0.373471 O\n0.672225 0.184495 0.802842 O\n0.059609 0.643890 0.190027 O\n0.551667 0.290694 0.503112 O\n0.970035 0.501955 0.870103 O\n0.960139 0.494206 0.126529 O\n0.827775 0.815505 0.302842 O\n0.051667 0.209306 0.496888 O\n0.564410 0.677873 0.119113 O\n0.987372 0.992240 0.171114 O\n0.561213 0.022114 0.307586 O\n0.012628 0.492240 0.328886 O\n0.494623 0.133722 0.990455 O\n0.990363 0.819065 0.674935 O\n0.172225 0.315505 0.197158 O\n0.693128 0.170752 0.614424 O\n0.064410 0.822127 0.880887 O\n0.186268 0.145637 0.686810 O\n0.512628 0.007760 0.671114 O\n0.564155 0.461498 0.008624 O\n0.465533 0.825265 0.633628 O\n0.559609 0.856110 0.809973 O\n0.306872 0.670752 0.885576 O\n",
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"formula_full": "V8 Cd16 Te12 O60",
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{
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