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{
"id": "mp-17025",
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"structure_string": "Sr6 Y2 B6 O18\n1.0\n4.825758 -6.291717 0.000000\n4.825758 6.291717 0.000000\n-3.377243 0.000000 7.174111\nSr Y B O\n6 2 6 18\ndirect\n0.360109 0.735177 0.861092 Sr\n0.861092 0.360109 0.735177 Sr\n0.735177 0.861092 0.360109 Sr\n0.639891 0.264823 0.138908 Sr\n0.138908 0.639891 0.264823 Sr\n0.264823 0.138908 0.639891 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.707413 0.610938 0.959933 B\n0.959933 0.707413 0.610938 B\n0.610938 0.959933 0.707413 B\n0.040067 0.292587 0.389062 B\n0.389062 0.040067 0.292587 B\n0.292587 0.389062 0.040067 B\n0.044956 0.811819 0.522281 O\n0.522281 0.044956 0.811819 O\n0.445528 0.493152 0.204855 O\n0.493152 0.204855 0.445528 O\n0.204855 0.445528 0.493152 O\n0.795145 0.554472 0.506848 O\n0.554472 0.506848 0.795145 O\n0.506848 0.795145 0.554472 O\n0.252299 0.197212 0.967961 O\n0.197212 0.967961 0.252299 O\n0.967961 0.252299 0.197212 O\n0.747701 0.802788 0.032039 O\n0.802788 0.032039 0.747701 O\n0.032039 0.747701 0.802788 O\n0.188181 0.477719 0.955044 O\n0.477719 0.955044 0.188181 O\n0.955044 0.188181 0.477719 O\n0.811819 0.522281 0.044956 O\n",
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{
"id": "mp-1209971",
"created_at": "2022-09-04T14:45:15.649454Z",
"structure_string": "Pr12 Os5 C15\n1.0\n5.526058 -9.571413 0.000000\n5.526058 9.571413 0.000000\n0.000000 0.000000 5.401423\nPr Os C\n12 5 15\ndirect\n0.793559 0.000000 0.500000 Pr\n0.000000 0.793559 0.500000 Pr\n0.206441 0.206441 0.500000 Pr\n0.274007 0.457947 0.000000 Pr\n0.542053 0.816060 0.000000 Pr\n0.457947 0.274007 0.000000 Pr\n0.183940 0.725993 0.000000 Pr\n0.816060 0.542053 0.000000 Pr\n0.725993 0.183940 0.000000 Pr\n0.426519 0.000000 0.500000 Pr\n0.000000 0.426519 0.500000 Pr\n0.573481 0.573481 0.500000 Pr\n0.160108 0.000000 0.000000 Os\n0.000000 0.160108 0.000000 Os\n0.839892 0.839892 0.000000 Os\n0.333333 0.666667 0.500000 Os\n0.666667 0.333333 0.500000 Os\n0.330392 0.000000 0.000000 C\n0.000000 0.330392 0.000000 C\n0.669608 0.669608 0.000000 C\n0.801250 0.000000 0.000000 C\n0.000000 0.801250 0.000000 C\n0.198750 0.198750 0.000000 C\n0.451025 0.000000 0.000000 C\n0.000000 0.451025 0.000000 C\n0.548975 0.548975 0.000000 C\n0.288164 0.475382 0.500000 C\n0.524618 0.812782 0.500000 C\n0.475382 0.288164 0.500000 C\n0.187218 0.711836 0.500000 C\n0.812782 0.524618 0.500000 C\n0.711836 0.187218 0.500000 C\n",
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"formula_full": "Pr12 Os5 C15",
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"formula_anonymous": "A5B12C15",
"energy": -258.84298688,
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},
{
"id": "mp-780512",
"created_at": "2022-09-04T14:45:15.238600Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.225191 0.000000 0.000000\n0.299168 6.135193 0.000000\n2.337173 1.198565 11.664653\nLi Mn B O\n4 6 6 18\ndirect\n0.137771 0.739180 0.073713 Li\n0.862229 0.260820 0.926287 Li\n0.459444 0.084942 0.399242 Li\n0.540556 0.915058 0.600758 Li\n0.441688 0.075878 0.827474 Mn\n0.763150 0.418053 0.170813 Mn\n0.098812 0.741316 0.494205 Mn\n0.558312 0.924122 0.172526 Mn\n0.901188 0.258684 0.505795 Mn\n0.236850 0.581947 0.829187 Mn\n0.681776 0.699773 0.947371 B\n0.318224 0.300227 0.052629 B\n0.654141 0.661902 0.388801 B\n0.011498 0.022438 0.278135 B\n0.345859 0.338098 0.611199 B\n0.988502 0.977562 0.721865 B\n0.431112 0.784126 0.929415 O\n0.830863 0.574607 0.872228 O\n0.244788 0.268904 0.948959 O\n0.755212 0.731096 0.051041 O\n0.169137 0.425393 0.127772 O\n0.568888 0.215874 0.070585 O\n0.882283 0.560179 0.409720 O\n0.590993 0.652085 0.280667 O\n0.500005 0.777909 0.469753 O\n0.166049 0.929999 0.189167 O\n0.092526 0.044390 0.380534 O\n0.755495 0.096653 0.268913 O\n0.117717 0.439821 0.590280 O\n0.499995 0.222091 0.530247 O\n0.907474 0.955610 0.619466 O\n0.409007 0.347915 0.719333 O\n0.833951 0.070001 0.810833 O\n0.244505 0.903347 0.731087 O\n",
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"formula_full": "Li4 Mn6 B6 O18",
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"spacegroup": 2
},
{
"id": "mp-1102754",
"created_at": "2022-09-04T14:42:58.436245Z",
"structure_string": "U3 Fe4 Ge4\n1.0\n4.114533 0.000000 0.000000\n0.000000 6.486114 0.000000\n-2.057266 -3.243057 6.890807\nU Fe Ge\n3 4 4\ndirect\n0.000000 0.000000 0.000000 U\n0.137044 0.637044 0.274088 U\n0.862956 0.362956 0.725912 U\n0.675771 0.970460 0.351542 Fe\n0.324229 0.029540 0.648458 Fe\n0.324229 0.618918 0.648458 Fe\n0.675771 0.381082 0.351542 Fe\n0.792463 0.792463 0.584926 Ge\n0.207537 0.207537 0.415074 Ge\n0.500000 0.698967 0.000000 Ge\n0.500000 0.301033 0.000000 Ge\n",
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"density": 11.088727316361839,
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"volume": 183.89724102829663,
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"formula_full": "U3 Fe4 Ge4",
"formula_reduced": "U3(FeGe)4",
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},
{
"id": "mp-1003771",
"created_at": "2022-09-04T14:45:12.043481Z",
"structure_string": "Mg2 Mn12 O24\n1.0\n2.904163 4.946961 0.000000\n-2.904163 4.946961 0.000000\n0.000000 0.904109 14.464567\nMg Mn O\n2 12 24\ndirect\n0.761465 0.509551 0.187058 Mg\n0.509551 0.761465 0.687058 Mg\n0.241509 0.991144 0.488810 Mn\n0.743170 0.494863 0.491162 Mn\n0.492558 0.243835 0.160794 Mn\n0.028205 0.778708 0.158744 Mn\n0.488429 0.243587 0.841456 Mn\n0.992228 0.739163 0.841385 Mn\n0.494863 0.743170 0.991162 Mn\n0.991144 0.241509 0.988810 Mn\n0.243835 0.492558 0.660794 Mn\n0.778708 0.028205 0.658744 Mn\n0.243587 0.488429 0.341456 Mn\n0.739163 0.992228 0.341385 Mn\n0.346574 0.096846 0.935201 O\n0.841370 0.593588 0.933009 O\n0.656339 0.406526 0.066161 O\n0.161467 0.913802 0.062158 O\n0.593588 0.841370 0.433009 O\n0.096846 0.346574 0.435201 O\n0.406526 0.656339 0.566161 O\n0.913802 0.161467 0.562158 O\n0.834775 0.084942 0.892256 O\n0.334343 0.586293 0.892661 O\n0.675050 0.889148 0.115716 O\n0.138777 0.426400 0.115811 O\n0.586293 0.334343 0.392661 O\n0.084942 0.834775 0.392256 O\n0.426400 0.138777 0.615811 O\n0.889148 0.675050 0.615716 O\n0.656418 0.908185 0.774172 O\n0.145756 0.395910 0.777874 O\n0.839510 0.122948 0.222571 O\n0.372892 0.590563 0.222299 O\n0.395910 0.145756 0.277874 O\n0.908185 0.656418 0.274172 O\n0.590563 0.372892 0.722299 O\n0.122948 0.839510 0.722571 O\n",
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"density": 4.362325012804869,
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"volume": 415.61853555131063,
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"formula_full": "Mg2 Mn12 O24",
"formula_reduced": "MgMn6O12",
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"energy": -307.3695989800001,
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"spacegroup": 9
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{
"id": "mp-1101513",
"created_at": "2022-09-04T14:43:04.297184Z",
"structure_string": "Li2 V8 P14 O48\n1.0\n10.289472 0.000000 0.000000\n-2.676094 10.019789 0.000000\n-4.038681 -4.566323 8.903390\nLi V P O\n2 8 14 48\ndirect\n0.549770 0.152441 0.573778 Li\n0.450230 0.847559 0.426222 Li\n0.500376 0.901727 0.747075 V\n0.002041 0.386453 0.076153 V\n0.511286 0.661028 0.887679 V\n0.982564 0.826728 0.412737 V\n0.017436 0.173272 0.587263 V\n0.488714 0.338972 0.112321 V\n0.997959 0.613547 0.923847 V\n0.499624 0.098273 0.252925 V\n0.764545 0.778081 0.767761 P\n0.195665 0.627236 0.432247 P\n0.198709 0.937661 0.266026 P\n0.262966 0.037012 0.756471 P\n0.256807 0.393108 0.523462 P\n0.732769 0.177822 0.118622 P\n0.752837 0.542413 0.053092 P\n0.247163 0.457587 0.946908 P\n0.267231 0.822178 0.881378 P\n0.743193 0.606892 0.476538 P\n0.737034 0.962988 0.243529 P\n0.801291 0.062339 0.733974 P\n0.804335 0.372764 0.567753 P\n0.235455 0.221919 0.232239 P\n0.873980 0.205838 0.875467 O\n0.620349 0.998435 0.649993 O\n0.643191 0.061957 0.954366 O\n0.118701 0.257264 0.135535 O\n0.370941 0.737847 0.530530 O\n0.161825 0.565060 0.269670 O\n0.659686 0.572968 0.925118 O\n0.628841 0.779631 0.796437 O\n0.166728 0.485928 0.470463 O\n0.376653 0.011293 0.700803 O\n0.318409 0.339769 0.406548 O\n0.152693 0.060737 0.216205 O\n0.144797 0.931124 0.376146 O\n0.398437 0.491900 0.673591 O\n0.876024 0.501196 0.014160 O\n0.092312 0.694647 0.464761 O\n0.868038 0.314192 0.159280 O\n0.340619 0.175869 0.901963 O\n0.189697 0.896593 0.781435 O\n0.146106 0.251710 0.503747 O\n0.119552 0.023964 0.626582 O\n0.379348 0.782726 0.825439 O\n0.358947 0.587818 0.946648 O\n0.842335 0.680483 0.206977 O\n0.157665 0.319517 0.793023 O\n0.641053 0.412182 0.053352 O\n0.620652 0.217274 0.174561 O\n0.880448 0.976036 0.373418 O\n0.853894 0.748290 0.496253 O\n0.810303 0.103407 0.218565 O\n0.659381 0.824131 0.098037 O\n0.131962 0.685808 0.840720 O\n0.907688 0.305353 0.535239 O\n0.123976 0.498804 0.985840 O\n0.601563 0.508100 0.326409 O\n0.855203 0.068876 0.623854 O\n0.847307 0.939263 0.783795 O\n0.681591 0.660231 0.593452 O\n0.623347 0.988707 0.299197 O\n0.833272 0.514072 0.529537 O\n0.371159 0.220369 0.203563 O\n0.340314 0.427032 0.074882 O\n0.838175 0.434940 0.730330 O\n0.629059 0.262153 0.469470 O\n0.881299 0.742736 0.864465 O\n0.356809 0.938043 0.045634 O\n0.379651 0.001565 0.350007 O\n0.126020 0.794162 0.124533 O\n",
"nsites": 72,
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],
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"formula_full": "Li2 V8 P14 O48",
"formula_reduced": "LiV4P7O24",
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"spacegroup": 2
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{
"id": "mp-1024990",
"created_at": "2022-09-04T14:42:47.235555Z",
"structure_string": "Lu1 B2 Ir3\n1.0\n2.720135 -4.711412 0.000000\n2.720135 4.711412 0.000000\n0.000000 0.000000 3.145349\nLu B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Lu\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.500000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n",
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"formula_full": "Lu1 B2 Ir3",
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{
"id": "mp-1004038",
"created_at": "2022-09-04T14:41:07.233880Z",
"structure_string": "Ca4 Mn8 O16\n1.0\n5.793220 0.000000 0.000000\n0.000000 5.689166 0.000000\n0.000000 0.397326 10.945710\nCa Mn O\n4 8 16\ndirect\n0.580231 0.268389 0.094512 Ca\n0.419769 0.731611 0.905488 Ca\n0.919769 0.268389 0.594512 Ca\n0.080231 0.731611 0.405488 Ca\n0.045160 0.638662 0.124670 Mn\n0.087235 0.134462 0.150344 Mn\n0.912765 0.865538 0.849656 Mn\n0.954840 0.361338 0.875330 Mn\n0.587235 0.865538 0.349656 Mn\n0.545160 0.361338 0.375330 Mn\n0.454840 0.638662 0.624670 Mn\n0.412765 0.134462 0.650344 Mn\n0.904622 0.878819 0.225549 O\n0.893969 0.381101 0.211436 O\n0.106031 0.618899 0.788564 O\n0.095378 0.121181 0.774451 O\n0.393969 0.618899 0.288564 O\n0.404622 0.121181 0.274451 O\n0.595378 0.878819 0.725549 O\n0.606031 0.381101 0.711436 O\n0.224016 0.896604 0.053221 O\n0.216928 0.394559 0.039875 O\n0.783072 0.605441 0.960125 O\n0.775984 0.103396 0.946779 O\n0.275984 0.896604 0.553221 O\n0.283072 0.394559 0.539875 O\n0.716928 0.605441 0.460125 O\n0.724016 0.103396 0.446779 O\n",
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{
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