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{
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"results": [
{
"id": "mp-1209544",
"created_at": "2022-09-04T14:47:30.465869Z",
"structure_string": "Rb6 Li4 Ga2 Mo8 O32\n1.0\n-6.181915 6.181915 6.175719\n6.181915 -6.181915 6.175719\n6.181915 6.181915 -6.175719\nRb Li Ga Mo O\n6 4 2 8 32\ndirect\n0.762542 0.375000 0.887542 Rb\n0.487458 0.875000 0.112458 Rb\n0.125000 0.237458 0.612458 Rb\n0.625000 0.512542 0.387542 Rb\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500000 Rb\n0.249256 0.375000 0.374256 Li\n0.000744 0.875000 0.625744 Li\n0.125000 0.750744 0.125744 Li\n0.625000 0.999256 0.874256 Li\n0.500000 0.500000 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.377999 0.125617 0.446606 Mo\n0.679011 0.931393 0.553394 Mo\n0.068607 0.622001 0.747618 Mo\n0.872001 0.818607 0.247618 Mo\n0.874383 0.320989 0.252382 Mo\n0.570989 0.624383 0.752382 Mo\n0.181393 0.429011 0.053394 Mo\n0.375617 0.127999 0.946606 Mo\n0.248271 0.375660 0.192091 O\n0.183569 0.056180 0.807909 O\n0.943820 0.751729 0.127389 O\n0.001729 0.693820 0.627389 O\n0.624340 0.816431 0.872611 O\n0.066431 0.374340 0.372611 O\n0.306180 0.933569 0.307909 O\n0.625660 0.998271 0.692091 O\n0.257890 0.196810 0.377327 O\n0.819483 0.880563 0.622673 O\n0.119437 0.742110 0.938920 O\n0.992110 0.869437 0.438920 O\n0.803190 0.180517 0.061080 O\n0.430517 0.553190 0.561080 O\n0.130563 0.569483 0.122673 O\n0.446810 0.007890 0.877327 O\n0.516711 0.764894 0.390719 O\n0.374174 0.125992 0.609281 O\n0.874008 0.483289 0.248182 O\n0.733289 0.624008 0.748182 O\n0.235106 0.625826 0.751818 O\n0.875826 0.985106 0.251818 O\n0.375992 0.124174 0.109281 O\n0.014894 0.266711 0.890719 O\n0.581887 0.254521 0.505810 O\n0.748712 0.076077 0.494190 O\n0.923923 0.418113 0.672634 O\n0.668113 0.673923 0.172634 O\n0.745479 0.251288 0.327366 O\n0.501288 0.495479 0.827366 O\n0.326077 0.498712 0.994190 O\n0.504521 0.331887 0.005810 O\n",
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"formula_full": "Rb6 Li4 Ga2 Mo8 O32",
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},
{
"id": "mp-1226454",
"created_at": "2022-09-04T14:46:26.184279Z",
"structure_string": "Co2 Si2 H30 N12 O4 F12\n1.0\n6.632275 0.007914 -1.374029\n0.007001 8.173278 -0.014946\n-0.155515 -0.018533 10.471425\nCo Si H N O F\n2 2 30 12 4 12\ndirect\n0.260359 0.250397 0.283449 Co\n0.739641 0.749603 0.716551 Co\n0.165877 0.251809 0.808776 Si\n0.834123 0.748191 0.191224 Si\n0.352553 0.394708 0.080448 H\n0.646796 0.896052 0.918278 H\n0.647447 0.605292 0.919552 H\n0.353204 0.103948 0.081722 H\n0.219076 0.401105 0.499790 H\n0.777188 0.901667 0.499586 H\n0.780924 0.598895 0.500210 H\n0.222812 0.098333 0.500414 H\n0.192816 0.543891 0.383415 H\n0.804902 0.044554 0.616272 H\n0.807184 0.456109 0.616585 H\n0.195098 0.955446 0.383728 H\n0.004102 0.423824 0.389106 H\n0.993424 0.924961 0.608250 H\n0.995898 0.576176 0.610894 H\n0.006576 0.075039 0.391750 H\n0.490925 0.484752 0.212627 H\n0.508944 0.986600 0.786608 H\n0.509075 0.515247 0.787373 H\n0.491056 0.013400 0.213392 H\n0.247772 0.530842 0.160152 H\n0.752745 0.030719 0.839114 H\n0.752228 0.469158 0.839848 H\n0.247255 0.969281 0.160886 H\n0.000238 0.203243 0.069887 H\n0.999762 0.796757 0.930113 H\n0.936447 0.370848 0.141888 H\n0.063553 0.629152 0.858112 H\n0.883048 0.185132 0.191680 H\n0.116952 0.814868 0.808320 H\n0.350668 0.436876 0.172686 N\n0.648930 0.937663 0.826180 N\n0.649332 0.563124 0.827314 N\n0.351070 0.062337 0.173820 N\n0.988715 0.252427 0.158497 N\n0.011285 0.747573 0.841503 N\n0.158499 0.425346 0.402954 N\n0.839289 0.925916 0.596198 N\n0.841501 0.574654 0.597046 N\n0.160711 0.074084 0.403802 N\n0.527707 0.250484 0.401510 N\n0.472293 0.749516 0.598490 N\n0.680989 0.250209 0.354838 O\n0.319011 0.749791 0.645162 O\n0.536036 0.250497 0.521311 O\n0.463964 0.749503 0.478689 O\n0.927933 0.250816 0.709394 F\n0.072067 0.749184 0.290606 F\n0.243397 0.394918 0.709476 F\n0.761003 0.904453 0.282422 F\n0.756603 0.605082 0.290524 F\n0.238997 0.095547 0.717578 F\n0.089829 0.408441 0.899110 F\n0.916069 0.889685 0.091891 F\n0.910171 0.591559 0.100890 F\n0.083931 0.110315 0.908109 F\n0.398847 0.252311 0.912875 F\n0.601153 0.747689 0.087125 F\n",
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"elements": [
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"Si",
"H",
"N",
"O",
"F"
],
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"density_atomic": 0.10956380589618948,
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"volume_molar": 5.49646912202549,
"formula_full": "Co2 Si2 H30 N12 O4 F12",
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"updated_at": "2021-11-28T01:37:41.580000Z",
"spacegroup": 2
},
{
"id": "mp-679999",
"created_at": "2022-09-04T14:43:18.265619Z",
"structure_string": "Re12 Se28 Cl28\n1.0\n10.491716 0.000000 0.000000\n0.000000 12.256003 0.000000\n0.000000 0.000000 14.645552\nRe Se Cl\n12 28 28\ndirect\n0.117649 0.723111 0.558883 Re\n0.750000 0.266550 0.606452 Re\n0.750000 0.733450 0.106452 Re\n0.882351 0.276889 0.441117 Re\n0.882351 0.723111 0.941117 Re\n0.117649 0.276889 0.058883 Re\n0.382351 0.723111 0.558883 Re\n0.617649 0.723111 0.941117 Re\n0.250000 0.733450 0.393548 Re\n0.617649 0.276889 0.441117 Re\n0.250000 0.266550 0.893548 Re\n0.382351 0.276889 0.058883 Re\n0.906081 0.122963 0.554565 Se\n0.002946 0.290008 0.900717 Se\n0.750000 0.572380 0.003575 Se\n0.750000 0.864865 0.858759 Se\n0.250000 0.688798 0.705874 Se\n0.502946 0.290008 0.599283 Se\n0.002946 0.709992 0.400717 Se\n0.750000 0.688798 0.794126 Se\n0.406081 0.877037 0.445435 Se\n0.093919 0.877037 0.445435 Se\n0.093919 0.122963 0.945435 Se\n0.906081 0.877037 0.054565 Se\n0.750000 0.427620 0.503575 Se\n0.593919 0.122963 0.554565 Se\n0.250000 0.572380 0.496425 Se\n0.750000 0.135135 0.358759 Se\n0.250000 0.427620 0.996425 Se\n0.406081 0.122963 0.945435 Se\n0.250000 0.311202 0.205874 Se\n0.997054 0.709992 0.099283 Se\n0.497054 0.709992 0.400717 Se\n0.250000 0.864865 0.641241 Se\n0.497054 0.290008 0.900717 Se\n0.250000 0.135135 0.141241 Se\n0.593919 0.877037 0.054565 Se\n0.502946 0.709992 0.099283 Se\n0.997054 0.290008 0.599283 Se\n0.750000 0.311202 0.294126 Se\n0.750000 0.845694 0.244736 Cl\n0.056997 0.818095 0.867955 Cl\n0.988936 0.429481 0.111323 Cl\n0.443003 0.818095 0.867955 Cl\n0.943003 0.181905 0.132045 Cl\n0.250000 0.037942 0.528012 Cl\n0.011064 0.429481 0.388677 Cl\n0.556997 0.181905 0.132045 Cl\n0.750000 0.595154 0.223944 Cl\n0.556997 0.818095 0.632045 Cl\n0.488936 0.429481 0.388677 Cl\n0.750000 0.404846 0.723944 Cl\n0.488936 0.570519 0.888677 Cl\n0.250000 0.595154 0.276056 Cl\n0.056997 0.181905 0.367955 Cl\n0.988936 0.570519 0.611323 Cl\n0.250000 0.154306 0.755264 Cl\n0.250000 0.404846 0.776056 Cl\n0.011064 0.570519 0.888677 Cl\n0.511064 0.570519 0.611323 Cl\n0.443003 0.181905 0.367955 Cl\n0.750000 0.037942 0.971988 Cl\n0.750000 0.962058 0.471988 Cl\n0.943003 0.818095 0.632045 Cl\n0.250000 0.962058 0.028012 Cl\n0.511064 0.429481 0.111323 Cl\n0.750000 0.154306 0.744736 Cl\n0.250000 0.845694 0.255264 Cl\n",
"nsites": 68,
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"elements": [
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],
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"density": 4.795026417520807,
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"volume": 1883.220312832992,
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"formula_full": "Re12 Se28 Cl28",
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"energy": -361.02944377,
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"updated_at": "2021-11-28T01:36:05.251000Z",
"spacegroup": 57
},
{
"id": "mp-1249267",
"created_at": "2022-09-04T14:40:43.122050Z",
"structure_string": "Ca6 Co4 Si8 O28\n1.0\n3.854407 8.518645 0.000000\n-3.854407 8.518645 0.000000\n0.000000 5.491887 8.483848\nCa Co Si O\n6 4 8 28\ndirect\n0.228896 0.162422 0.541045 Ca\n0.837578 0.771104 0.958955 Ca\n0.162422 0.228896 0.041045 Ca\n0.652984 0.347016 0.250000 Ca\n0.771104 0.837578 0.458955 Ca\n0.347016 0.652984 0.750000 Ca\n0.213840 0.786160 0.250000 Co\n0.786160 0.213840 0.750000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.111816 0.535077 0.657440 Si\n0.535077 0.111816 0.157440 Si\n0.212286 0.535733 0.145871 Si\n0.535733 0.212286 0.645871 Si\n0.464923 0.888184 0.842560 Si\n0.787714 0.464267 0.854129 Si\n0.464267 0.787714 0.354129 Si\n0.888184 0.464923 0.342560 Si\n0.293891 0.877908 0.504381 O\n0.896152 0.975971 0.716583 O\n0.651403 0.451894 0.809498 O\n0.975971 0.896152 0.216583 O\n0.943474 0.263062 0.482873 O\n0.509366 0.049597 0.815967 O\n0.451894 0.651403 0.309498 O\n0.736938 0.056526 0.017127 O\n0.490634 0.950403 0.184033 O\n0.673323 0.656939 0.407313 O\n0.103848 0.024029 0.283417 O\n0.056526 0.736938 0.517127 O\n0.950403 0.490634 0.684033 O\n0.877908 0.293891 0.004381 O\n0.656939 0.673323 0.907313 O\n0.263062 0.943474 0.982873 O\n0.469803 0.893561 0.678499 O\n0.326677 0.343061 0.592687 O\n0.106439 0.530197 0.821501 O\n0.343061 0.326677 0.092687 O\n0.049597 0.509366 0.315967 O\n0.024029 0.103848 0.783417 O\n0.893561 0.469803 0.178499 O\n0.348597 0.548106 0.190502 O\n0.530197 0.106439 0.321501 O\n0.548106 0.348597 0.690502 O\n0.122092 0.706109 0.995619 O\n0.706109 0.122092 0.495619 O\n",
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"formula_full": "Ca6 Co4 Si8 O28",
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{
"id": "mp-760056",
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"structure_string": "Na4 Li2 Mn2 P10 O30\n1.0\n13.954926 0.000000 0.000000\n0.000000 5.232938 0.000000\n0.000000 2.327606 8.832406\nNa Li Mn P O\n4 2 2 10 30\ndirect\n0.901167 0.410572 0.144895 Na\n0.598833 0.410572 0.144895 Na\n0.401167 0.589428 0.855105 Na\n0.098833 0.589428 0.855105 Na\n0.250000 0.473846 0.169727 Li\n0.750000 0.526154 0.830273 Li\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.355975 0.490243 0.488484 P\n0.144025 0.490243 0.488484 P\n0.922031 0.147843 0.813810 P\n0.577969 0.147843 0.813810 P\n0.250000 0.038534 0.998281 P\n0.750000 0.961466 0.001719 P\n0.422031 0.852157 0.186190 P\n0.077969 0.852157 0.186190 P\n0.644025 0.509757 0.511516 P\n0.855975 0.509757 0.511516 P\n0.750000 0.444088 0.463950 O\n0.959184 0.295194 0.922034 O\n0.540816 0.295194 0.922034 O\n0.250000 0.281248 0.871391 O\n0.853433 0.355873 0.693151 O\n0.646567 0.355873 0.693151 O\n0.577951 0.378013 0.423413 O\n0.922049 0.378013 0.423413 O\n0.365656 0.203197 0.494256 O\n0.134344 0.203197 0.494256 O\n0.988964 0.003994 0.734718 O\n0.511036 0.003994 0.734718 O\n0.839830 0.930000 0.891382 O\n0.660170 0.930000 0.891382 O\n0.750000 0.239985 0.021309 O\n0.250000 0.760015 0.978691 O\n0.339830 0.070000 0.108618 O\n0.160170 0.070000 0.108618 O\n0.488964 0.996006 0.265282 O\n0.011036 0.996006 0.265282 O\n0.865656 0.796803 0.505744 O\n0.634344 0.796803 0.505744 O\n0.422049 0.621987 0.576587 O\n0.077951 0.621987 0.576587 O\n0.353433 0.644127 0.306849 O\n0.146567 0.644127 0.306849 O\n0.750000 0.718752 0.128609 O\n0.459184 0.704806 0.077966 O\n0.040816 0.704806 0.077966 O\n0.250000 0.555912 0.536050 O\n",
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"formula_full": "Na4 Li2 Mn2 P10 O30",
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{
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"structure_string": "Na4 Yb4 Ti4 Nb4 O24 F4\n1.0\n7.329455 0.000000 0.000000\n0.000000 7.329455 0.000000\n0.000000 0.000000 10.391084\nNa Yb Ti Nb O F\n4 4 4 4 24 4\ndirect\n0.500000 0.747328 0.500000 Na\n0.500000 0.252672 0.000000 Na\n0.747328 0.500000 0.250000 Na\n0.252672 0.500000 0.750000 Na\n0.000000 0.744239 0.500000 Yb\n0.000000 0.255761 0.000000 Yb\n0.255761 0.000000 0.750000 Yb\n0.744239 0.000000 0.250000 Yb\n0.000000 0.758423 0.000000 Ti\n0.241577 0.000000 0.250000 Ti\n0.758423 0.000000 0.750000 Ti\n0.000000 0.241577 0.500000 Ti\n0.500000 0.241506 0.500000 Nb\n0.500000 0.758494 0.000000 Nb\n0.758494 0.500000 0.750000 Nb\n0.241506 0.500000 0.250000 Nb\n0.554626 0.946685 0.868736 O\n0.765746 0.753410 0.678490 O\n0.950583 0.950583 0.875000 O\n0.053315 0.445374 0.381264 O\n0.049417 0.049417 0.375000 O\n0.049417 0.950583 0.125000 O\n0.246590 0.234254 0.571510 O\n0.246590 0.765746 0.928490 O\n0.234254 0.246590 0.178490 O\n0.445374 0.946685 0.131264 O\n0.445374 0.053315 0.368736 O\n0.441604 0.441604 0.375000 O\n0.558396 0.558396 0.875000 O\n0.554626 0.053315 0.631264 O\n0.558396 0.441604 0.625000 O\n0.753410 0.765746 0.071510 O\n0.765746 0.246590 0.821510 O\n0.753410 0.234254 0.428490 O\n0.950583 0.049417 0.625000 O\n0.946685 0.445374 0.618736 O\n0.946685 0.554626 0.881264 O\n0.053315 0.554626 0.118736 O\n0.234254 0.753410 0.321510 O\n0.441604 0.558396 0.125000 O\n0.242809 0.757191 0.625000 F\n0.757191 0.242809 0.125000 F\n0.757191 0.757191 0.375000 F\n0.242809 0.242809 0.875000 F\n",
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.431000Z",
"spacegroup": 14
}
]
}