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{
"id": "mp-19173",
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"structure_string": "U2 Mn2 O8\n1.0\n5.596289 0.027500 -2.016892\n-2.930012 4.857206 -1.791546\n0.019665 -0.027500 5.948606\nU Mn O\n2 2 8\ndirect\n0.017444 0.250001 0.267444 U\n0.982555 0.750000 0.732555 U\n0.500000 0.000000 0.499999 Mn\n0.500000 0.500001 0.000000 Mn\n0.813236 0.486163 0.299397 O\n0.186765 0.513837 0.700603 O\n0.813236 0.013838 0.827073 O\n0.186766 0.986163 0.172928 O\n0.312785 0.543361 0.269424 O\n0.273937 0.043360 0.730577 O\n0.687216 0.456639 0.730576 O\n0.726064 0.956640 0.269425 O\n",
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{
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"spacegroup": 12
},
{
"id": "mp-1346485",
"created_at": "2022-09-04T14:45:03.117863Z",
"structure_string": "Mg4 Cr4 O12\n1.0\n5.023085 0.000000 0.000000\n0.000000 5.228711 0.000000\n0.000000 0.000000 7.370666\nMg Cr O\n4 4 12\ndirect\n0.489091 0.060197 0.750000 Mg\n0.989091 0.439803 0.250000 Mg\n0.010909 0.560197 0.750000 Mg\n0.510909 0.939803 0.250000 Mg\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.376596 0.555265 0.250000 O\n0.876596 0.944735 0.750000 O\n0.123404 0.055265 0.250000 O\n0.623404 0.444735 0.750000 O\n0.182982 0.313408 0.935757 O\n0.682982 0.186592 0.064243 O\n0.317018 0.813408 0.564243 O\n0.817018 0.686592 0.435757 O\n0.182982 0.313408 0.564243 O\n0.682982 0.186592 0.435757 O\n0.817018 0.686592 0.064243 O\n0.317018 0.813408 0.935757 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Mg4 Cr4 O12",
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},
{
"id": "mp-21908",
"created_at": "2022-09-04T14:45:03.231266Z",
"structure_string": "Co4 Sb8 O24\n1.0\n4.725997 0.001651 0.000117\n0.002846 -4.725974 9.420992\n0.005429 -9.452055 0.000079\nCo Sb O\n4 8 24\ndirect\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.999977 0.667675 0.666154 Sb\n0.999992 0.667684 0.166157 Sb\n0.000023 0.332325 0.333846 Sb\n0.000008 0.332316 0.833843 Sb\n0.500009 0.167923 0.166018 Sb\n0.499986 0.167924 0.666043 Sb\n0.499991 0.832077 0.833982 Sb\n0.500014 0.832076 0.333957 Sb\n0.309661 0.000006 0.345171 O\n0.309668 0.999999 0.845162 O\n0.690339 0.999994 0.654829 O\n0.690332 0.000001 0.154838 O\n0.190405 0.500007 0.845201 O\n0.190399 0.499997 0.345191 O\n0.809595 0.499993 0.154799 O\n0.809601 0.500003 0.654809 O\n0.302542 0.328371 0.184540 O\n0.302504 0.328346 0.684574 O\n0.197483 0.827922 0.684782 O\n0.197511 0.827913 0.184802 O\n0.302498 0.671648 0.012914 O\n0.302540 0.671630 0.512917 O\n0.197501 0.172084 0.012710 O\n0.197521 0.172093 0.512700 O\n0.802499 0.827916 0.987290 O\n0.802479 0.827907 0.487300 O\n0.697502 0.328352 0.987086 O\n0.697460 0.328370 0.487083 O\n0.697458 0.671629 0.815460 O\n0.697496 0.671654 0.315426 O\n0.802517 0.172078 0.315218 O\n0.802489 0.172087 0.815198 O\n",
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"elements": [
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"Sb",
"O"
],
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"density": 6.288801628503175,
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"volume": 420.83764612300416,
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"formula_full": "Co4 Sb8 O24",
"formula_reduced": "Co(SbO3)2",
"formula_anonymous": "AB2C6",
"energy": -245.52591758,
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"spacegroup": 136
},
{
"id": "mp-558429",
"created_at": "2022-09-04T14:45:03.065478Z",
"structure_string": "Na2 Fe8 Mo10 O40\n1.0\n7.048581 0.000000 0.000000\n1.312026 7.021059 0.000000\n0.674706 0.669307 18.207079\nNa Fe Mo O\n2 8 10 40\ndirect\n0.881178 0.667358 0.698404 Na\n0.118822 0.332642 0.301596 Na\n0.174461 0.081808 0.113178 Fe\n0.249866 0.300998 0.733547 Fe\n0.185485 0.827407 0.492703 Fe\n0.222262 0.574259 0.874864 Fe\n0.750134 0.699002 0.266453 Fe\n0.814515 0.172593 0.507297 Fe\n0.777738 0.425741 0.125136 Fe\n0.825539 0.918192 0.886822 Fe\n0.681546 0.219937 0.308871 Mo\n0.729624 0.691814 0.471570 Mo\n0.728115 0.939013 0.095858 Mo\n0.217318 0.824461 0.284748 Mo\n0.271885 0.060987 0.904142 Mo\n0.751400 0.455743 0.913146 Mo\n0.318454 0.780063 0.691129 Mo\n0.248600 0.544257 0.086854 Mo\n0.782682 0.175539 0.715252 Mo\n0.270376 0.308186 0.528430 Mo\n0.087112 0.384914 0.125105 O\n0.793276 0.881495 0.004223 O\n0.876259 0.863443 0.497358 O\n0.182134 0.798459 0.610218 O\n0.202137 0.528803 0.478832 O\n0.829847 0.212283 0.888994 O\n0.047391 0.664831 0.268819 O\n0.769560 0.717283 0.154990 O\n0.478766 0.034658 0.104425 O\n0.462854 0.713920 0.263987 O\n0.521234 0.965342 0.895575 O\n0.754267 0.651498 0.373544 O\n0.251684 0.534220 0.990067 O\n0.162012 0.047554 0.233880 O\n0.537146 0.286080 0.736013 O\n0.563413 0.707069 0.668845 O\n0.436587 0.292931 0.331155 O\n0.197199 0.879732 0.378448 O\n0.485652 0.787457 0.492849 O\n0.802801 0.120268 0.621552 O\n0.716156 0.986250 0.269161 O\n0.797863 0.471197 0.521168 O\n0.230440 0.282717 0.845010 O\n0.775566 0.403364 0.248691 O\n0.123741 0.136557 0.502642 O\n0.837988 0.952446 0.766120 O\n0.480940 0.458857 0.123310 O\n0.952609 0.335169 0.731181 O\n0.748316 0.465780 0.009933 O\n0.283844 0.013750 0.730839 O\n0.817866 0.201541 0.389782 O\n0.860175 0.123085 0.118977 O\n0.139825 0.876915 0.881023 O\n0.245733 0.348502 0.626456 O\n0.514348 0.212543 0.507151 O\n0.519060 0.541143 0.876690 O\n0.912888 0.615086 0.874895 O\n0.224434 0.596636 0.751309 O\n0.206724 0.118505 0.995777 O\n0.170153 0.787717 0.111006 O\n",
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"spacegroup": 2
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{
"id": "mp-774428",
"created_at": "2022-09-04T14:45:02.901105Z",
"structure_string": "K6 V28 O56\n1.0\n-5.128182 5.128182 10.200593\n5.128182 -5.128182 10.200593\n5.128182 5.128182 -10.200593\nK V O\n6 28 56\ndirect\n0.769498 0.769498 0.000000 K\n0.075992 0.075992 0.000000 K\n0.602972 0.602972 0.000000 K\n0.924008 0.924008 0.000000 K\n0.230502 0.230502 0.000000 K\n0.397028 0.397028 0.000000 K\n0.168847 0.647731 0.816578 V\n0.780753 0.596179 0.521552 V\n0.925374 0.740800 0.521552 V\n0.647731 0.831153 0.478884 V\n0.504767 0.686657 0.480827 V\n0.119632 0.637958 0.184337 V\n0.259200 0.780753 0.184574 V\n0.403821 0.925374 0.184574 V\n0.313343 0.794170 0.818110 V\n0.740800 0.219247 0.815426 V\n0.453622 0.935295 0.815663 V\n0.596179 0.074626 0.815426 V\n0.205830 0.023940 0.519173 V\n0.064705 0.880368 0.518326 V\n0.352269 0.168847 0.521116 V\n0.794170 0.976060 0.480827 V\n0.219247 0.403821 0.478448 V\n0.074626 0.259200 0.478448 V\n0.935295 0.119632 0.481674 V\n0.686657 0.205830 0.181890 V\n0.546378 0.064705 0.184337 V\n0.831153 0.352269 0.183422 V\n0.880368 0.362042 0.815663 V\n0.023940 0.504767 0.818110 V\n0.637958 0.453622 0.518326 V\n0.495233 0.313343 0.519173 V\n0.362042 0.546378 0.481674 V\n0.976060 0.495233 0.181890 V\n0.224043 0.587010 0.952822 O\n0.365811 0.728778 0.952822 O\n0.970048 0.594738 0.706575 O\n0.111837 0.736527 0.706575 O\n0.587010 0.634189 0.362967 O\n0.728778 0.775957 0.362967 O\n0.845522 0.797189 0.642712 O\n0.703647 0.659054 0.647027 O\n0.459948 0.836927 0.296875 O\n0.320352 0.694285 0.296917 O\n0.202811 0.845522 0.048333 O\n0.056621 0.703647 0.044593 O\n0.452722 0.747597 0.625085 O\n0.305715 0.602632 0.626067 O\n0.736527 0.029952 0.624690 O\n0.594738 0.888163 0.624690 O\n0.976565 0.679648 0.373933 O\n0.122512 0.827637 0.374915 O\n0.405262 0.111837 0.375310 O\n0.263473 0.970048 0.375310 O\n0.659054 0.012027 0.955407 O\n0.511329 0.866924 0.954682 O\n0.797189 0.154478 0.951667 O\n0.397368 0.023435 0.703083 O\n0.252403 0.877488 0.705125 O\n0.540052 0.163073 0.703125 O\n0.012027 0.056621 0.352973 O\n0.866924 0.912242 0.355594 O\n0.154478 0.202811 0.357288 O\n0.987973 0.943379 0.647027 O\n0.412990 0.365811 0.637033 O\n0.133076 0.087758 0.644406 O\n0.271222 0.224043 0.637033 O\n0.602632 0.976565 0.296917 O\n0.029952 0.405262 0.293425 O\n0.888163 0.263473 0.293425 O\n0.747597 0.122512 0.294875 O\n0.340946 0.987973 0.044593 O\n0.775957 0.412990 0.047178 O\n0.634189 0.271222 0.047178 O\n0.488671 0.133076 0.045318 O\n0.877488 0.172363 0.625085 O\n0.163073 0.459948 0.623021 O\n0.023435 0.320352 0.626067 O\n0.547278 0.252403 0.374915 O\n0.836927 0.540052 0.376979 O\n0.694285 0.397368 0.373933 O\n0.943379 0.296353 0.955407 O\n0.087758 0.443352 0.954682 O\n0.827637 0.452722 0.705125 O\n0.679648 0.305715 0.703083 O\n0.296353 0.340946 0.352973 O\n0.443352 0.488671 0.355594 O\n0.556648 0.511329 0.644406 O\n0.172363 0.547278 0.294875 O\n0.912242 0.556648 0.045318 O\n",
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{
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"structure_string": "Ce1 Mn1 In1\n1.0\n0.000000 0.000000 -3.334860\n-2.461998 -4.262950 0.000000\n-2.458742 4.261087 0.000000\nCe Mn In\n1 1 1\ndirect\n0.000000 0.999872 0.000617 Ce\n0.500000 0.333565 0.665951 Mn\n0.500000 0.666463 0.333432 In\n",
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{
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