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{
"id": "mp-866883",
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"structure_string": "Ca8 Sn4 S16\n1.0\n6.883137 0.000000 0.000000\n0.000000 7.340677 0.000000\n0.000000 0.000000 13.551924\nCa Sn S\n8 4 16\ndirect\n0.988922 0.902618 0.855149 Ca\n0.488922 0.597382 0.144851 Ca\n0.011078 0.402618 0.644851 Ca\n0.511078 0.097382 0.355149 Ca\n0.011078 0.097382 0.144851 Ca\n0.511078 0.402618 0.855149 Ca\n0.988922 0.597382 0.355149 Ca\n0.488922 0.902618 0.644851 Ca\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.810422 0.695819 0.552383 S\n0.310422 0.804181 0.447617 S\n0.189578 0.195819 0.947617 S\n0.689578 0.304181 0.052383 S\n0.189578 0.304181 0.447617 S\n0.689578 0.195819 0.552383 S\n0.810422 0.804181 0.052383 S\n0.310422 0.695819 0.947617 S\n0.117559 0.039684 0.673574 S\n0.617559 0.460316 0.326426 S\n0.882441 0.539684 0.826426 S\n0.382441 0.960316 0.173574 S\n0.882441 0.960316 0.326426 S\n0.382441 0.539684 0.673574 S\n0.117559 0.460316 0.173574 S\n0.617559 0.039684 0.826426 S\n",
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{
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"structure_string": "Na24 Ho8 P16 O64\n1.0\n5.305277 0.000000 0.000000\n0.000000 13.902760 0.000000\n0.000000 0.000000 18.542169\nNa Ho P O\n24 8 16 64\ndirect\n0.009858 0.783021 0.507565 Na\n0.990142 0.216979 0.007565 Na\n0.990142 0.283021 0.507565 Na\n0.009858 0.716979 0.007565 Na\n0.007492 0.048403 0.850645 Na\n0.992508 0.951597 0.350645 Na\n0.992508 0.548403 0.850645 Na\n0.007492 0.451597 0.350645 Na\n0.003816 0.138805 0.671966 Na\n0.996184 0.861195 0.171966 Na\n0.996184 0.638805 0.671966 Na\n0.003816 0.361195 0.171966 Na\n0.519667 0.201870 0.770573 Na\n0.480333 0.798130 0.270573 Na\n0.480333 0.701870 0.770573 Na\n0.519667 0.298130 0.270573 Na\n0.460351 0.031703 0.611824 Na\n0.539649 0.968297 0.111824 Na\n0.539649 0.531703 0.611824 Na\n0.460351 0.468297 0.111824 Na\n0.499998 0.113094 0.950118 Na\n0.500002 0.886906 0.450118 Na\n0.500002 0.613094 0.950118 Na\n0.499998 0.386906 0.450118 Na\n0.071986 0.388995 0.695534 Ho\n0.928014 0.611005 0.195534 Ho\n0.928014 0.888995 0.695534 Ho\n0.071986 0.111005 0.195534 Ho\n0.442222 0.361767 0.926942 Ho\n0.557778 0.638233 0.426942 Ho\n0.557778 0.861767 0.926942 Ho\n0.442222 0.138233 0.426942 Ho\n0.031127 0.524709 0.518911 P\n0.968873 0.475291 0.018911 P\n0.968873 0.024709 0.518911 P\n0.031127 0.975291 0.018911 P\n0.008820 0.776708 0.847354 P\n0.991180 0.223292 0.347354 P\n0.991180 0.276708 0.847354 P\n0.008820 0.723292 0.347354 P\n0.520896 0.473873 0.775480 P\n0.479104 0.526127 0.275480 P\n0.479104 0.973873 0.775480 P\n0.520896 0.026127 0.275480 P\n0.538859 0.273494 0.603788 P\n0.461141 0.726506 0.103788 P\n0.461141 0.773494 0.603788 P\n0.538859 0.226506 0.103788 P\n0.424435 0.192177 0.649437 O\n0.575565 0.807823 0.149437 O\n0.575565 0.692177 0.649437 O\n0.424435 0.307823 0.149437 O\n0.301716 0.527560 0.736352 O\n0.698284 0.472440 0.236352 O\n0.698284 0.027560 0.736352 O\n0.301716 0.972440 0.236352 O\n0.119236 0.119551 0.505129 O\n0.880764 0.880449 0.005129 O\n0.880764 0.619551 0.505129 O\n0.119236 0.380449 0.005129 O\n0.206255 0.222794 0.888701 O\n0.793745 0.777206 0.388701 O\n0.793745 0.722794 0.888701 O\n0.206255 0.277206 0.388701 O\n0.316328 0.540510 0.499860 O\n0.683672 0.459490 0.999860 O\n0.683672 0.040510 0.499860 O\n0.316328 0.959490 0.999860 O\n0.081599 0.557043 0.972695 O\n0.918401 0.442957 0.472695 O\n0.918401 0.057043 0.972695 O\n0.081599 0.942957 0.472695 O\n0.225323 0.000742 0.738758 O\n0.774677 0.999258 0.238758 O\n0.774677 0.500742 0.738758 O\n0.225323 0.499258 0.238758 O\n0.387598 0.368392 0.615556 O\n0.612402 0.631608 0.115556 O\n0.612402 0.868392 0.615556 O\n0.387598 0.131608 0.115556 O\n0.466635 0.365263 0.770181 O\n0.533365 0.634737 0.270181 O\n0.533365 0.865263 0.770181 O\n0.466635 0.134737 0.270181 O\n0.047491 0.385183 0.852756 O\n0.952509 0.614817 0.352756 O\n0.952509 0.885183 0.852756 O\n0.047491 0.114817 0.352756 O\n0.177996 0.790560 0.625299 O\n0.822004 0.209440 0.125299 O\n0.822004 0.290560 0.625299 O\n0.177996 0.709440 0.125299 O\n0.008889 0.746305 0.766650 O\n0.991111 0.253695 0.266650 O\n0.991111 0.246305 0.766650 O\n0.008889 0.753695 0.266650 O\n0.472824 0.003715 0.856697 O\n0.527176 0.996285 0.356697 O\n0.527176 0.503715 0.856697 O\n0.472824 0.496285 0.356697 O\n0.996168 0.001813 0.600894 O\n0.003832 0.998187 0.100894 O\n0.003832 0.501813 0.600894 O\n0.996168 0.498187 0.100894 O\n0.733956 0.250119 0.882329 O\n0.266044 0.749881 0.382329 O\n0.266044 0.750119 0.882329 O\n0.733956 0.249881 0.382329 O\n0.530856 0.249752 0.521405 O\n0.469144 0.750248 0.021405 O\n0.469144 0.749752 0.521405 O\n0.530856 0.250248 0.021405 O\n",
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"formula_full": "Na24 Ho8 P16 O64",
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{
"id": "mp-1193343",
"created_at": "2022-09-04T14:46:11.031588Z",
"structure_string": "Ca2 Tl2 Cl10 O14\n1.0\n5.233401 7.516054 0.000000\n-5.233401 7.516054 0.000000\n0.000000 1.380072 9.468357\nCa Tl Cl O\n2 2 10 14\ndirect\n0.737671 0.737671 0.381992 Ca\n0.262329 0.262329 0.618008 Ca\n0.185750 0.814250 0.000000 Tl\n0.814250 0.185750 0.000000 Tl\n0.300728 0.950465 0.408244 Cl\n0.950465 0.300728 0.408244 Cl\n0.699272 0.049535 0.591756 Cl\n0.049535 0.699272 0.591756 Cl\n0.473541 0.194341 0.129586 Cl\n0.194341 0.473541 0.129586 Cl\n0.526459 0.805659 0.870414 Cl\n0.805659 0.526459 0.870414 Cl\n0.859944 0.859944 0.130460 Cl\n0.140056 0.140056 0.869540 Cl\n0.482311 0.842271 0.387693 O\n0.842271 0.482311 0.387693 O\n0.517689 0.157729 0.612307 O\n0.157729 0.517689 0.612307 O\n0.533661 0.394054 0.368074 O\n0.394054 0.533661 0.368074 O\n0.466339 0.605946 0.631926 O\n0.605946 0.466339 0.631926 O\n0.826512 0.826512 0.556049 O\n0.173488 0.173488 0.443951 O\n0.300380 0.300380 0.221694 O\n0.699620 0.699620 0.778306 O\n0.540754 0.540754 0.292984 O\n0.459246 0.459246 0.707016 O\n",
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{
"id": "mp-772811",
"created_at": "2022-09-04T14:46:10.672138Z",
"structure_string": "Na8 Ge8 O20\n1.0\n5.055389 0.000000 0.000000\n0.000000 8.512212 0.000000\n0.000000 2.966868 12.356602\nNa Ge O\n8 8 20\ndirect\n0.718281 0.139790 0.026497 Na\n0.258174 0.380892 0.053616 Na\n0.758174 0.619108 0.446384 Na\n0.781719 0.139790 0.526497 Na\n0.218281 0.860210 0.473503 Na\n0.241826 0.380892 0.553616 Na\n0.741826 0.619108 0.946384 Na\n0.281719 0.860210 0.973503 Na\n0.796478 0.400760 0.222611 Ge\n0.681654 0.022401 0.322314 Ge\n0.181654 0.977599 0.177686 Ge\n0.296478 0.599240 0.277389 Ge\n0.703522 0.400760 0.722611 Ge\n0.818346 0.022401 0.822314 Ge\n0.318346 0.977599 0.677686 Ge\n0.203522 0.599240 0.777389 Ge\n0.252750 0.106007 0.054989 O\n0.722296 0.388232 0.092064 O\n0.330802 0.011579 0.298056 O\n0.148032 0.441462 0.224851 O\n0.246108 0.773678 0.167828 O\n0.746108 0.226322 0.332172 O\n0.648032 0.558538 0.275149 O\n0.830802 0.988421 0.201944 O\n0.222296 0.611768 0.407936 O\n0.247250 0.106007 0.554989 O\n0.752750 0.893993 0.445011 O\n0.777704 0.388232 0.592064 O\n0.169198 0.011579 0.798056 O\n0.351968 0.441462 0.724851 O\n0.253892 0.773678 0.667828 O\n0.753892 0.226322 0.832172 O\n0.851968 0.558538 0.775149 O\n0.669198 0.988421 0.701944 O\n0.277704 0.611768 0.907936 O\n0.747250 0.893993 0.945011 O\n",
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{
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{
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"structure_string": "Lu6 B2 C6\n1.0\n2.491764 -2.508847 0.000000\n2.491764 2.508847 0.000000\n0.000000 0.000000 15.707786\nLu B C\n6 2 6\ndirect\n0.583539 0.416461 0.395834 Lu\n0.416461 0.583539 0.895834 Lu\n0.416461 0.583539 0.604166 Lu\n0.583539 0.416461 0.104166 Lu\n0.910266 0.089734 0.750000 Lu\n0.089734 0.910266 0.250000 Lu\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.095509 0.904491 0.412308 C\n0.904491 0.095509 0.912308 C\n0.904491 0.095509 0.587692 C\n0.095509 0.904491 0.087692 C\n0.598086 0.401914 0.250000 C\n0.401914 0.598086 0.750000 C\n",
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"structure_string": "Ba1 Ta1 Cu1 O5\n1.0\n3.805335 0.000000 0.000000\n0.000000 3.805335 0.000000\n0.000000 0.000000 9.172854\nBa Ta Cu O\n1 1 1 5\ndirect\n0.500000 0.500000 0.029303 Ba\n0.000000 0.000000 0.708395 Ta\n0.000000 0.000000 0.275306 Cu\n0.500000 0.000000 0.663610 O\n0.000000 0.500000 0.663610 O\n0.500000 0.000000 0.235675 O\n0.000000 0.500000 0.235675 O\n0.000000 0.000000 0.912297 O\n",
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{
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"structure_string": "Hg3 Te3\n1.0\n2.357628 -4.083532 0.000000\n2.357628 4.083532 0.000000\n0.000000 0.000000 10.413739\nHg Te\n3 3\ndirect\n0.329171 0.329171 0.000000 Hg\n0.000000 0.670829 0.666667 Hg\n0.670829 0.000000 0.333333 Hg\n0.482087 0.482087 0.500000 Te\n0.000000 0.517913 0.166667 Te\n0.517913 0.000000 0.833333 Te\n",
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