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{
"id": "mp-1105409",
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{
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},
{
"id": "mp-553922",
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"structure_string": "K4 Mo30 S38\n1.0\n19.121445 -4.746084 0.000000\n19.121445 4.746084 0.000000\n17.943432 0.000000 8.135614\nK Mo S\n4 30 38\ndirect\n0.887442 0.887442 0.887442 K\n0.387442 0.387442 0.387442 K\n0.112558 0.112558 0.112558 K\n0.612558 0.612558 0.612558 K\n0.133833 0.806490 0.998044 Mo\n0.781125 0.959310 0.630846 Mo\n0.498044 0.306490 0.633833 Mo\n0.869154 0.540690 0.718875 Mo\n0.750000 0.585339 0.914661 Mo\n0.585339 0.914661 0.750000 Mo\n0.193510 0.001956 0.866167 Mo\n0.459310 0.281125 0.130846 Mo\n0.806490 0.998044 0.133833 Mo\n0.040690 0.369154 0.218875 Mo\n0.959310 0.630846 0.781125 Mo\n0.306490 0.633833 0.498044 Mo\n0.414661 0.085339 0.250000 Mo\n0.914661 0.750000 0.585339 Mo\n0.250000 0.414661 0.085339 Mo\n0.001956 0.866167 0.193510 Mo\n0.693510 0.366167 0.501956 Mo\n0.718875 0.869154 0.540690 Mo\n0.540690 0.718875 0.869154 Mo\n0.281125 0.130846 0.459310 Mo\n0.501956 0.693510 0.366167 Mo\n0.218875 0.040690 0.369154 Mo\n0.633833 0.498044 0.306490 Mo\n0.630846 0.781125 0.959310 Mo\n0.366167 0.501956 0.693510 Mo\n0.369154 0.218875 0.040690 Mo\n0.866167 0.193510 0.001956 Mo\n0.085339 0.250000 0.414661 Mo\n0.998044 0.133833 0.806490 Mo\n0.130846 0.459310 0.281125 Mo\n0.193355 0.521229 0.927216 S\n0.072784 0.806645 0.478771 S\n0.927216 0.193355 0.521229 S\n0.949192 0.550808 0.250000 S\n0.306645 0.572784 0.978771 S\n0.450933 0.797453 0.202406 S\n0.553408 0.553408 0.553408 S\n0.946592 0.946592 0.946592 S\n0.950933 0.702406 0.297453 S\n0.202547 0.797594 0.549067 S\n0.323103 0.323103 0.323103 S\n0.176897 0.176897 0.176897 S\n0.823103 0.823103 0.823103 S\n0.702406 0.297453 0.950933 S\n0.806645 0.478771 0.072784 S\n0.297453 0.950933 0.702406 S\n0.572784 0.978771 0.306645 S\n0.049067 0.297594 0.702547 S\n0.702547 0.049067 0.297594 S\n0.427216 0.021229 0.693355 S\n0.521229 0.927216 0.193355 S\n0.693355 0.427216 0.021229 S\n0.550808 0.250000 0.949192 S\n0.449192 0.750000 0.050808 S\n0.250000 0.949192 0.550808 S\n0.549067 0.202547 0.797594 S\n0.797594 0.549067 0.202547 S\n0.797453 0.202406 0.450933 S\n0.053408 0.053408 0.053408 S\n0.021229 0.693355 0.427216 S\n0.978771 0.306645 0.572784 S\n0.478771 0.072784 0.806645 S\n0.050808 0.449192 0.750000 S\n0.297594 0.702547 0.049067 S\n0.202406 0.450933 0.797453 S\n0.676897 0.676897 0.676897 S\n0.750000 0.050808 0.449192 S\n0.446592 0.446592 0.446592 S\n",
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"formula_full": "K4 Mo30 S38",
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"spacegroup": 167
},
{
"id": "mp-22893",
"created_at": "2022-09-04T14:45:55.102969Z",
"structure_string": "Pb1 I2\n1.0\n2.344710 -4.061157 0.000000\n2.344710 4.061157 0.000000\n0.000000 0.000000 7.503160\nPb I\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.666667 0.333333 0.752986 I\n0.333333 0.666667 0.247014 I\n",
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},
{
"id": "mp-1402558",
"created_at": "2022-09-04T14:45:55.107140Z",
"structure_string": "Sb4 O8\n1.0\n3.231201 0.000000 0.000000\n1.252427 8.087254 0.000000\n1.231640 0.467528 8.348720\nSb O\n4 8\ndirect\n0.687628 0.181855 0.482890 Sb\n0.215337 0.435631 0.163601 Sb\n0.784663 0.564369 0.836399 Sb\n0.312372 0.818145 0.517110 Sb\n0.752404 0.776472 0.719038 O\n0.365140 0.472900 0.727329 O\n0.634860 0.527100 0.272671 O\n0.247596 0.223528 0.280962 O\n0.192657 0.051962 0.606555 O\n0.799716 0.367176 0.008323 O\n0.807343 0.948038 0.393445 O\n0.200284 0.632824 0.991677 O\n",
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{
"id": "mp-1097233",
"created_at": "2022-09-04T14:45:55.108501Z",
"structure_string": "Na1 Ga1 Hg2\n1.0\n-5.764739 6.117765 8.610543\n5.764739 -6.117765 8.610543\n5.764739 6.117765 -8.610543\nNa Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ga\n0.000000 0.254056 0.254056 Hg\n0.000000 0.745944 0.745944 Hg\n",
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{
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"structure_string": "K16 Mo16 N32\n1.0\n5.851082 0.000000 0.000000\n0.000000 11.869099 0.000000\n0.000000 0.000000 16.994689\nK Mo N\n16 16 32\ndirect\n0.257367 0.000756 0.437728 K\n0.757367 0.499244 0.562272 K\n0.742633 0.500756 0.062272 K\n0.242633 0.999244 0.937728 K\n0.742633 0.999244 0.562272 K\n0.242633 0.500756 0.437728 K\n0.257367 0.499244 0.937728 K\n0.757367 0.000756 0.062272 K\n0.257097 0.252654 0.313542 K\n0.757097 0.247346 0.686458 K\n0.742903 0.752654 0.186458 K\n0.242903 0.747346 0.813542 K\n0.742903 0.747346 0.686458 K\n0.242903 0.752654 0.313542 K\n0.257097 0.247346 0.813542 K\n0.757097 0.252654 0.186458 K\n0.776198 0.002975 0.309429 Mo\n0.276198 0.497025 0.690571 Mo\n0.223802 0.502975 0.190571 Mo\n0.723802 0.997025 0.809429 Mo\n0.223802 0.997025 0.690571 Mo\n0.723802 0.502975 0.309429 Mo\n0.776198 0.497025 0.809429 Mo\n0.276198 0.002975 0.190571 Mo\n0.751859 0.253517 0.436067 Mo\n0.251859 0.246483 0.563933 Mo\n0.248141 0.753517 0.063933 Mo\n0.748141 0.746483 0.936067 Mo\n0.248141 0.746483 0.563933 Mo\n0.748141 0.753517 0.436067 Mo\n0.751859 0.246483 0.936067 Mo\n0.251859 0.253517 0.063933 Mo\n0.007184 0.297314 0.499159 N\n0.507184 0.202686 0.500841 N\n0.992816 0.797314 0.000841 N\n0.492816 0.702686 0.999159 N\n0.992816 0.702686 0.500841 N\n0.492816 0.797314 0.499159 N\n0.007184 0.202686 0.999159 N\n0.507184 0.297314 0.000841 N\n0.650889 0.377806 0.374583 N\n0.150889 0.122194 0.625417 N\n0.349111 0.877806 0.125417 N\n0.849111 0.622194 0.874583 N\n0.349111 0.622194 0.625417 N\n0.849111 0.877806 0.374583 N\n0.650889 0.122194 0.874583 N\n0.150889 0.377806 0.125417 N\n0.843314 0.137705 0.365534 N\n0.343314 0.362295 0.634466 N\n0.156686 0.637705 0.134466 N\n0.656686 0.862295 0.865534 N\n0.156686 0.862295 0.634466 N\n0.656686 0.637705 0.365534 N\n0.843314 0.362295 0.865534 N\n0.343314 0.137705 0.134466 N\n0.538446 0.498261 0.216435 N\n0.038446 0.001739 0.783565 N\n0.461554 0.998261 0.283565 N\n0.961554 0.501739 0.716435 N\n0.461554 0.501739 0.783565 N\n0.961554 0.998261 0.216435 N\n0.538446 0.001739 0.716435 N\n0.038446 0.498261 0.283565 N\n",
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{
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"structure_string": "S24 N20 O16\n1.0\n6.753917 0.000000 -2.569682\n-6.745262 0.000000 -9.736850\n0.000000 12.668363 0.000000\nS N O\n24 20 16\ndirect\n0.170775 0.760910 0.214872 S\n0.829225 0.239090 0.785128 S\n0.329225 0.739090 0.714872 S\n0.670775 0.260910 0.285128 S\n0.987420 0.939352 0.194373 S\n0.012580 0.060648 0.805627 S\n0.512580 0.560648 0.694373 S\n0.487420 0.439352 0.305627 S\n0.939455 0.852405 0.558213 S\n0.060545 0.147595 0.441787 S\n0.560545 0.647595 0.058213 S\n0.439455 0.352405 0.941787 S\n0.750583 0.525872 0.042059 S\n0.249417 0.474128 0.957941 S\n0.749417 0.974128 0.542059 S\n0.250583 0.025872 0.457941 S\n0.382244 0.979425 0.142339 S\n0.617756 0.020575 0.857661 S\n0.117756 0.520575 0.642339 S\n0.882244 0.479425 0.357661 S\n0.858333 0.723779 0.918250 S\n0.141667 0.276221 0.081750 S\n0.641667 0.776221 0.418250 S\n0.358333 0.223779 0.581750 S\n0.606871 0.895457 0.459789 N\n0.393129 0.104543 0.540211 N\n0.893129 0.604543 0.959789 N\n0.106871 0.395457 0.040211 N\n0.997654 0.808983 0.168297 N\n0.002346 0.191017 0.831703 N\n0.502346 0.691017 0.668297 N\n0.497654 0.308983 0.331703 N\n0.824935 0.758264 0.477116 N\n0.175065 0.241736 0.522884 N\n0.675065 0.741736 0.977116 N\n0.324935 0.258264 0.022884 N\n0.700418 0.526007 0.338981 N\n0.299582 0.473993 0.661019 N\n0.799582 0.973993 0.838981 N\n0.200418 0.026007 0.161019 N\n0.371534 0.848786 0.164072 N\n0.628466 0.151214 0.835928 N\n0.128466 0.651214 0.664072 N\n0.871534 0.348786 0.335928 N\n0.650180 0.528808 0.625729 O\n0.349820 0.471192 0.374271 O\n0.849820 0.971192 0.125729 O\n0.150180 0.028808 0.874271 O\n0.967600 0.960809 0.307252 O\n0.032400 0.039191 0.692748 O\n0.532400 0.539191 0.807252 O\n0.467600 0.460809 0.192748 O\n0.158579 0.647966 0.168732 O\n0.841421 0.352034 0.831268 O\n0.341421 0.852034 0.668732 O\n0.658579 0.147966 0.331268 O\n0.195949 0.772415 0.328140 O\n0.804051 0.227585 0.671860 O\n0.304051 0.727585 0.828140 O\n0.695949 0.272415 0.171860 O\n",
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{
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"nsites": 96,
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"elements": [
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],
"chemical_system": "K-Li-Na-O-Si-Zr",
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"volume_molar": 8.536908636253495,
"formula_full": "K2 Na4 Li2 Zr4 Si24 O60",
"formula_reduced": "KNa2LiZr2(Si2O5)6",
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"updated_at": "2021-11-28T01:37:07.237000Z",
"spacegroup": 66
},
{
"id": "mp-1196124",
"created_at": "2022-09-04T14:45:55.163787Z",
"structure_string": "Ba3 Ge12 O27\n1.0\n5.912082 -10.240027 0.000000\n5.912082 10.240027 0.000000\n0.000000 0.000000 4.810200\nBa Ge O\n3 12 27\ndirect\n0.331241 0.330982 0.999928 Ba\n0.999741 0.668759 0.999928 Ba\n0.669018 0.000259 0.999928 Ba\n0.333333 0.666667 0.893173 Ge\n0.666667 0.333333 0.103750 Ge\n0.000000 0.000000 0.994785 Ge\n0.338200 0.850727 0.403916 Ge\n0.512527 0.661800 0.403916 Ge\n0.149273 0.487473 0.403916 Ge\n0.180844 0.001113 0.497635 Ge\n0.820269 0.819156 0.497635 Ge\n0.998887 0.179731 0.497635 Ge\n0.487442 0.149495 0.592673 Ge\n0.662053 0.512558 0.592673 Ge\n0.850505 0.337947 0.592673 Ge\n0.411698 0.819128 0.118261 O\n0.407430 0.588302 0.118261 O\n0.180872 0.592570 0.118261 O\n0.154030 0.086080 0.225090 O\n0.932050 0.845970 0.225090 O\n0.913920 0.067950 0.225090 O\n0.213211 0.888052 0.307706 O\n0.674841 0.786789 0.307706 O\n0.111948 0.325159 0.307706 O\n0.325262 0.112842 0.692055 O\n0.787580 0.674738 0.692055 O\n0.887158 0.212420 0.692055 O\n0.591672 0.180576 0.879596 O\n0.588904 0.408328 0.879596 O\n0.819424 0.411096 0.879596 O\n0.250131 0.736205 0.667911 O\n0.486074 0.749869 0.667911 O\n0.263795 0.513926 0.667911 O\n0.482467 0.000582 0.496086 O\n0.518115 0.517533 0.496086 O\n0.999418 0.481885 0.496086 O\n0.513878 0.264272 0.329355 O\n0.750394 0.486122 0.329355 O\n0.735728 0.249606 0.329355 O\n0.063025 0.911145 0.757222 O\n0.848120 0.936975 0.757222 O\n0.088855 0.151880 0.757222 O\n",
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"formula_full": "Ba3 Ge12 O27",
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{
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"created_at": "2022-09-04T14:45:55.167050Z",
"structure_string": "Li5 N1 Cl2\n1.0\n9.688660 -1.827166 0.000000\n9.688660 1.827166 0.000000\n9.344079 0.000000 3.145929\nLi N Cl\n5 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.932977 0.932977 0.932977 Li\n0.067023 0.067023 0.067023 Li\n0.674539 0.674539 0.674539 Li\n0.325461 0.325461 0.325461 Li\n0.000000 0.000000 0.000000 N\n0.218163 0.218163 0.218163 Cl\n0.781837 0.781837 0.781837 Cl\n",
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],
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"volume": 111.383441749328,
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"formula_full": "Li5 N1 Cl2",
"formula_reduced": "Li5NCl2",
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{
"id": "mp-1225523",
"created_at": "2022-09-04T14:45:55.236079Z",
"structure_string": "Er3 Th1\n1.0\n1.766084 -3.058948 0.000000\n1.766084 3.058948 0.000000\n0.000000 0.000000 11.540731\nEr Th\n3 1\ndirect\n0.333333 0.666667 0.000000 Er\n0.000000 0.000000 0.752977 Er\n0.000000 0.000000 0.247023 Er\n0.333333 0.666667 0.500000 Th\n",
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}
]
}