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{
"id": "mp-1228250",
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"structure_string": "Ba6 Ho4 Mo2 O18\n1.0\n3.033488 5.276334 0.000000\n-3.033488 5.276334 0.000000\n0.000000 0.095019 14.889313\nBa Ho Mo O\n6 4 2 18\ndirect\n0.667723 0.665784 0.085966 Ba\n0.998438 0.001562 0.750000 Ba\n0.334216 0.332277 0.414034 Ba\n0.332277 0.334216 0.914034 Ba\n0.665784 0.667723 0.585966 Ba\n0.001562 0.998438 0.250000 Ba\n0.332882 0.333538 0.167954 Ho\n0.667118 0.666462 0.832046 Ho\n0.333538 0.332882 0.667954 Ho\n0.666462 0.667118 0.332046 Ho\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.977969 0.543886 0.238900 O\n0.286160 0.885065 0.915700 O\n0.676777 0.189568 0.565467 O\n0.022031 0.456114 0.761100 O\n0.323223 0.810432 0.434533 O\n0.713840 0.114935 0.084300 O\n0.543886 0.977969 0.738900 O\n0.885065 0.286160 0.415700 O\n0.189568 0.676777 0.065467 O\n0.810432 0.323223 0.934533 O\n0.114935 0.713840 0.584300 O\n0.456114 0.022031 0.261100 O\n0.152933 0.152225 0.075063 O\n0.499168 0.500832 0.750000 O\n0.847775 0.847067 0.424937 O\n0.847067 0.847775 0.924937 O\n0.152225 0.152933 0.575063 O\n0.500832 0.499168 0.250000 O\n",
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{
"id": "mp-1042864",
"created_at": "2022-09-04T14:47:04.246605Z",
"structure_string": "Ti2 Ge4 O12\n1.0\n4.525542 5.029106 0.000000\n-4.525542 5.029106 0.000000\n0.000000 1.764398 5.306859\nTi Ge O\n2 4 12\ndirect\n0.107017 0.892983 0.750000 Ti\n0.892983 0.107017 0.250000 Ti\n0.208773 0.380231 0.772826 Ge\n0.619769 0.791227 0.727174 Ge\n0.791227 0.619769 0.227174 Ge\n0.380231 0.208773 0.272826 Ge\n0.385156 0.346288 0.500253 O\n0.653712 0.614844 0.999747 O\n0.614844 0.653712 0.499747 O\n0.346288 0.385156 0.000253 O\n0.630580 0.096993 0.214321 O\n0.903007 0.369420 0.285679 O\n0.369420 0.903007 0.785679 O\n0.096993 0.630580 0.714321 O\n0.040064 0.176106 0.883702 O\n0.823894 0.959936 0.616298 O\n0.959936 0.823894 0.116298 O\n0.176106 0.040064 0.383702 O\n",
"nsites": 18,
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"volume": 241.56217637636752,
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"formula_full": "Ti2 Ge4 O12",
"formula_reduced": "Ti(GeO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "mp-1072996",
"created_at": "2022-09-04T14:47:10.739019Z",
"structure_string": "Mg8 Si12\n1.0\n3.552350 0.000000 0.000000\n-1.774340 5.804027 0.000000\n-1.379326 -2.010917 17.813935\nMg Si\n8 12\ndirect\n0.724868 0.136718 0.202456 Mg\n0.826906 0.737520 0.804797 Mg\n0.466654 0.815784 0.055340 Mg\n0.086739 0.067968 0.946607 Mg\n0.068847 0.345031 0.696904 Mg\n0.462802 0.538004 0.297503 Mg\n0.093066 0.561687 0.545983 Mg\n0.735690 0.874826 0.453840 Mg\n0.736138 0.303994 0.051934 Si\n0.802416 0.566693 0.949637 Si\n0.347775 0.448321 0.141745 Si\n0.195972 0.422728 0.857353 Si\n0.350083 0.961802 0.678275 Si\n0.169263 0.918240 0.315641 Si\n0.403433 0.136910 0.553763 Si\n0.452809 0.372686 0.441016 Si\n0.707162 0.692716 0.657303 Si\n0.833356 0.217535 0.354884 Si\n0.011572 0.749699 0.181683 Si\n0.524261 0.131159 0.813225 Si\n",
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"formula_full": "Mg8 Si12",
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"spacegroup": 1
},
{
"id": "mp-764245",
"created_at": "2022-09-04T14:47:04.234351Z",
"structure_string": "Mg7 Mn5 O12\n1.0\n1.543578 -2.673555 0.000000\n1.543578 2.673555 0.000000\n0.000000 0.000000 30.387983\nMg Mn O\n7 5 12\ndirect\n0.333333 0.666667 0.166484 Mg\n0.333333 0.666667 0.418552 Mg\n0.333333 0.666667 0.668095 Mg\n0.666667 0.333333 0.586640 Mg\n0.000000 0.000000 0.749779 Mg\n0.333333 0.666667 0.912349 Mg\n0.666667 0.333333 0.831287 Mg\n0.000000 0.000000 0.996367 Mn\n0.666667 0.333333 0.083893 Mn\n0.000000 0.000000 0.248784 Mn\n0.666667 0.333333 0.335535 Mn\n0.000000 0.000000 0.502236 Mn\n0.333333 0.666667 0.040294 O\n0.000000 0.000000 0.127858 O\n0.666667 0.333333 0.205053 O\n0.333333 0.666667 0.292075 O\n0.000000 0.000000 0.379522 O\n0.666667 0.333333 0.457682 O\n0.333333 0.666667 0.546914 O\n0.000000 0.000000 0.627311 O\n0.666667 0.333333 0.708938 O\n0.333333 0.666667 0.790603 O\n0.000000 0.000000 0.871894 O\n0.666667 0.333333 0.951858 O\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Mg-Mn-O",
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"formula_full": "Mg7 Mn5 O12",
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"spacegroup": 156
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{
"id": "mp-1246857",
"created_at": "2022-09-04T14:47:04.235420Z",
"structure_string": "Sr6 Y6 N10\n1.0\n6.631960 -0.275994 -0.385690\n-1.072000 8.058475 0.086132\n-2.680523 -3.125704 8.553700\nSr Y N\n6 6 10\ndirect\n0.794709 0.437079 0.587167 Sr\n0.205291 0.562921 0.412833 Sr\n0.691828 0.820034 0.880446 Sr\n0.308172 0.179966 0.119554 Sr\n0.670069 0.609702 0.202512 Sr\n0.329931 0.390298 0.797488 Sr\n0.869960 0.299020 0.955249 Y\n0.130040 0.700980 0.044751 Y\n0.737311 0.959082 0.567845 Y\n0.262689 0.040918 0.432155 Y\n0.182792 0.871816 0.729957 Y\n0.817208 0.128184 0.270043 Y\n0.011649 0.084850 0.820051 N\n0.988351 0.915150 0.179949 N\n0.866112 0.711159 0.505708 N\n0.133888 0.288841 0.494292 N\n0.778226 0.514709 0.863840 N\n0.221774 0.485291 0.136160 N\n0.424974 0.901213 0.610078 N\n0.575026 0.098787 0.389922 N\n0.313587 0.718980 0.885054 N\n0.686413 0.281020 0.114946 N\n",
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{
"id": "mp-1219375",
"created_at": "2022-09-04T14:47:04.247797Z",
"structure_string": "Se2 N3 O8\n1.0\n6.182525 0.000000 0.000000\n-3.034947 5.482291 0.000000\n-2.601993 -2.043531 7.896492\nSe N O\n2 3 8\ndirect\n0.171201 0.589651 0.777953 Se\n0.805885 0.391931 0.219783 Se\n0.006920 0.004008 0.017128 N\n0.399491 0.201434 0.589588 N\n0.600217 0.797743 0.400213 N\n0.990258 0.272403 0.712415 O\n0.996952 0.722086 0.698525 O\n0.430554 0.724815 0.718122 O\n0.001311 0.707969 0.281074 O\n0.022644 0.297050 0.294988 O\n0.553357 0.277990 0.291132 O\n0.255837 0.613931 0.987015 O\n0.634373 0.267988 0.012064 O\n",
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"formula_full": "Se2 N3 O8",
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{
"id": "mp-1035801",
"created_at": "2022-09-04T14:47:04.257942Z",
"structure_string": "Y1 Hf1 Mg14 O16\n1.0\n8.794529 0.000000 0.000000\n0.000000 8.794529 0.000000\n0.000000 0.000000 4.370100\nY Hf Mg O\n1 1 14 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.262687 0.000000 0.500000 Mg\n0.737313 0.000000 0.500000 Mg\n0.245695 0.500000 0.500000 Mg\n0.754305 0.500000 0.500000 Mg\n0.000000 0.262687 0.500000 Mg\n0.500000 0.245695 0.500000 Mg\n0.000000 0.737313 0.500000 Mg\n0.500000 0.754305 0.500000 Mg\n0.255837 0.255837 0.000000 Mg\n0.744163 0.255837 0.000000 Mg\n0.255837 0.744163 0.000000 Mg\n0.744163 0.744163 0.000000 Mg\n0.000000 0.257570 0.000000 O\n0.500000 0.236872 0.000000 O\n0.000000 0.742430 0.000000 O\n0.500000 0.763128 0.000000 O\n0.247970 0.247970 0.500000 O\n0.752030 0.247970 0.500000 O\n0.247970 0.752030 0.500000 O\n0.752030 0.752030 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.257570 0.000000 0.000000 O\n0.742430 0.000000 0.000000 O\n0.236872 0.500000 0.000000 O\n0.763128 0.500000 0.000000 O\n",
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"formula_full": "Y1 Hf1 Mg14 O16",
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{
"id": "mp-734937",
"created_at": "2022-09-04T14:47:04.275788Z",
"structure_string": "Na5 Te2 H36 Au1 O28\n1.0\n9.016245 0.000000 0.000000\n-1.813314 12.664547 0.000000\n-0.283032 -0.931293 5.914988\nNa Te H Au O\n5 2 36 1 28\ndirect\n0.500000 0.000000 0.000000 Na\n0.045718 0.652498 0.669806 Na\n0.954282 0.347502 0.330194 Na\n0.318549 0.671345 0.773691 Na\n0.681451 0.328655 0.226309 Na\n0.805812 0.816467 0.755262 Te\n0.194188 0.183533 0.244738 Te\n0.701071 0.145653 0.718196 H\n0.298929 0.854347 0.281804 H\n0.834047 0.399206 0.768726 H\n0.165953 0.600794 0.231274 H\n0.790503 0.112910 0.486261 H\n0.209496 0.887090 0.513739 H\n0.817461 0.375918 0.527843 H\n0.182539 0.624082 0.472157 H\n0.520287 0.002401 0.683951 H\n0.479713 0.997599 0.316049 H\n0.566839 0.791636 0.750484 H\n0.433161 0.208364 0.249516 H\n0.617009 0.434747 0.659988 H\n0.382991 0.565253 0.340012 H\n0.578173 0.284525 0.503637 H\n0.421827 0.715475 0.496363 H\n0.661995 0.834739 0.194015 H\n0.338005 0.165261 0.805985 H\n0.733140 0.902588 0.066696 H\n0.266860 0.097412 0.933304 H\n0.850534 0.555067 0.059029 H\n0.149466 0.444933 0.940971 H\n0.818514 0.297339 0.011807 H\n0.181486 0.702661 0.988193 H\n0.689551 0.730182 0.429218 H\n0.310449 0.269818 0.570782 H\n0.564252 0.672526 0.361717 H\n0.435748 0.327474 0.638283 H\n0.891168 0.784267 0.458141 H\n0.108832 0.215733 0.541859 H\n0.983930 0.836244 0.357332 H\n0.016070 0.163756 0.642668 H\n0.620241 0.510034 0.922752 H\n0.379759 0.489966 0.077248 H\n0.639337 0.267822 0.915127 H\n0.360663 0.732178 0.084873 H\n0.000000 0.000000 0.000000 Au\n0.756223 0.122506 0.802566 O\n0.243777 0.877494 0.197434 O\n0.669664 0.653616 0.769022 O\n0.330336 0.346384 0.230978 O\n0.787366 0.857884 0.547746 O\n0.212634 0.142116 0.452254 O\n0.865394 0.530240 0.716121 O\n0.134606 0.469760 0.283879 O\n0.956769 0.973281 0.774174 O\n0.043231 0.026719 0.225826 O\n0.849653 0.822423 0.978866 O\n0.150347 0.177577 0.021134 O\n0.794566 0.263686 0.440762 O\n0.205434 0.736314 0.559238 O\n0.500941 0.868580 0.739252 O\n0.499059 0.131420 0.260748 O\n0.573142 0.285826 0.610729 O\n0.426858 0.714174 0.389271 O\n0.672674 0.942586 0.114420 O\n0.327326 0.057414 0.885580 O\n0.843986 0.402774 0.100375 O\n0.156014 0.597226 0.899625 O\n0.636633 0.661271 0.338196 O\n0.363367 0.338729 0.661804 O\n0.950890 0.722025 0.419136 O\n0.049110 0.277975 0.580864 O\n0.600454 0.364994 0.969626 O\n0.399546 0.635006 0.030374 O\n",
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"formula_full": "Na5 Te2 H36 Au1 O28",
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},
{
"id": "mp-1096130",
"created_at": "2022-09-04T14:47:04.284202Z",
"structure_string": "Na1 Tl2 In1\n1.0\n-5.991034 6.564466 9.254610\n5.991034 -6.564466 9.254610\n5.991034 6.564466 -9.254610\nNa Tl In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.260995 0.260995 Tl\n0.000000 0.739005 0.739005 Tl\n0.000000 0.500000 0.500000 In\n",
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