{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=94","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=92","results":[{"id":"mp-779682","created_at":"2022-09-04T14:48:31.253483Z","structure_string":"Na4 Sc4 P8 H8 O32\n1.0\n8.245341 5.245589 0.000000\n-8.245341 5.245589 0.000000\n0.000000 4.965499 7.726338\nNa Sc P H O\n4 4 8 8 32\ndirect\n0.868579 0.214566 0.365606 Na\n0.414587 0.791539 0.286182 Na\n0.214566 0.868579 0.865606 Na\n0.791539 0.414587 0.786182 Na\n0.360781 0.584225 0.036612 Sc\n0.584225 0.360781 0.536612 Sc\n0.132989 0.863802 0.502828 Sc\n0.863802 0.132989 0.002828 Sc\n0.157622 0.155055 0.152169 P\n0.031644 0.580686 0.325766 P\n0.155055 0.157622 0.652169 P\n0.565341 0.179902 0.253970 P\n0.580686 0.031644 0.825766 P\n0.179902 0.565341 0.753970 P\n0.660069 0.691212 0.180717 P\n0.691212 0.660069 0.680717 P\n0.490112 0.327358 0.100999 H\n0.218740 0.346731 0.404511 H\n0.327358 0.490112 0.600999 H\n0.346731 0.218740 0.904511 H\n0.909528 0.681201 0.206656 H\n0.839471 0.873471 0.420524 H\n0.681201 0.909528 0.706656 H\n0.873471 0.839471 0.920524 H\n0.010107 0.164827 0.135070 O\n0.245869 0.114438 0.009124 O\n0.081915 0.002329 0.328180 O\n0.395485 0.008472 0.327995 O\n0.299585 0.327082 0.125144 O\n0.164827 0.010107 0.635070 O\n0.114438 0.245869 0.509124 O\n0.023323 0.695904 0.166651 O\n0.002329 0.081915 0.828180 O\n0.132920 0.511403 0.249039 O\n0.590399 0.316911 0.083749 O\n0.719869 0.166004 0.193135 O\n0.566707 0.246269 0.385546 O\n0.008472 0.395485 0.827995 O\n0.122957 0.693982 0.395332 O\n0.327082 0.299585 0.625144 O\n0.477708 0.589975 0.202473 O\n0.695904 0.023323 0.666651 O\n0.511403 0.132920 0.749039 O\n0.316911 0.590399 0.583749 O\n0.802717 0.718943 0.014146 O\n0.166004 0.719869 0.693135 O\n0.678685 0.593424 0.330505 O\n0.246269 0.566707 0.885546 O\n0.693982 0.122957 0.895332 O\n0.844714 0.432912 0.463844 O\n0.589975 0.477708 0.702473 O\n0.703038 0.868105 0.160634 O\n0.718943 0.802717 0.514146 O\n0.593424 0.678685 0.830505 O\n0.432912 0.844714 0.963844 O\n0.868105 0.703038 0.660634 O\n","nsites":56,"nelements":5,"elements":["Na","Sc","P","H","O"],"chemical_system":"H-Na-O-P-Sc","density":2.5829497004890305,"density_atomic":0.08378792725694262,"volume":668.3540437546732,"volume_molar":7.187360944653287,"formula_full":"Na4 Sc4 P8 H8 O32","formula_reduced":"NaScP2(HO4)2","formula_anonymous":"ABC2D2E8","energy":-409.1721258,"energy_per_atom":-7.306645103571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-387.1881258,"band_gap":4.5207,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0023298,"is_theoretical":false,"updated_at":"2021-11-28T01:39:45.275000Z","spacegroup":9},{"id":"mp-1244979","created_at":"2022-09-04T14:39:07.724361Z","structure_string":"Zn50 S50\n1.0\n12.934545 -0.668571 0.360232\n-0.634592 13.567367 0.190640\n0.352831 0.206638 13.523871\nZn S\n50 50\ndirect\n0.042096 0.156667 0.685894 Zn\n0.340588 0.571414 0.547719 Zn\n0.733340 0.082604 0.945421 Zn\n0.709237 0.452170 0.446832 Zn\n0.077658 0.831071 0.650901 Zn\n0.435015 0.030874 0.462479 Zn\n0.935991 0.553116 0.290010 Zn\n0.360046 0.960446 0.198502 Zn\n0.573310 0.524196 0.986524 Zn\n0.649474 0.888138 0.137141 Zn\n0.914220 0.314008 0.547543 Zn\n0.480583 0.956806 0.935282 Zn\n0.101862 0.923472 0.230215 Zn\n0.931041 0.295339 0.739933 Zn\n0.527500 0.885887 0.524531 Zn\n0.433623 0.720121 0.053368 Zn\n0.001264 0.806682 0.817499 Zn\n0.045062 0.062946 0.478030 Zn\n0.296321 0.177419 0.082877 Zn\n0.400061 0.571495 0.219512 Zn\n0.112389 0.264811 0.819953 Zn\n0.174545 0.032029 0.946054 Zn\n0.594981 0.216516 0.551615 Zn\n0.463858 0.821820 0.699534 Zn\n0.549303 0.569803 0.640435 Zn\n0.949184 0.567085 0.891690 Zn\n0.475478 0.111927 0.757695 Zn\n0.634948 0.515966 0.214258 Zn\n0.743896 0.184406 0.408202 Zn\n0.434533 0.268011 0.976700 Zn\n0.000203 0.800334 0.438497 Zn\n0.634323 0.932313 0.674628 Zn\n0.983344 0.139466 0.107264 Zn\n0.482601 0.204230 0.157144 Zn\n0.655977 0.292188 0.867015 Zn\n0.306336 0.700294 0.874209 Zn\n0.811169 0.931484 0.303426 Zn\n0.228229 0.332559 0.554206 Zn\n0.254693 0.562889 0.765569 Zn\n0.845936 0.344258 0.245632 Zn\n0.749062 0.621535 0.825817 Zn\n0.583861 0.980193 0.347770 Zn\n0.475435 0.426500 0.423436 Zn\n0.130895 0.710546 0.508404 Zn\n0.225921 0.501848 0.287217 Zn\n0.048401 0.433812 0.115134 Zn\n0.943229 0.974248 0.049456 Zn\n0.830991 0.401809 0.023597 Zn\n0.041862 0.441061 0.626875 Zn\n0.811996 0.994500 0.630386 Zn\n0.477391 0.889947 0.088479 S\n0.488705 0.272372 0.815760 S\n0.251498 0.948694 0.441032 S\n0.637827 0.200244 0.043934 S\n0.327008 0.313529 0.410807 S\n0.220542 0.017654 0.119166 S\n0.005197 0.814793 0.132858 S\n0.714382 0.454823 0.911942 S\n0.796907 0.209301 0.828985 S\n0.957139 0.563602 0.708366 S\n0.027244 0.955502 0.894415 S\n0.504937 0.740652 0.850858 S\n0.168913 0.204097 0.964129 S\n0.575798 0.643001 0.106446 S\n0.879285 0.702904 0.346721 S\n0.786202 0.245103 0.100734 S\n0.604115 0.021279 0.823175 S\n0.003422 0.427468 0.950753 S\n0.432785 0.440666 0.595945 S\n0.428875 0.422112 0.052100 S\n0.598337 0.555172 0.374900 S\n0.820474 0.603315 0.652692 S\n0.254558 0.857481 0.566077 S\n0.866065 0.783785 0.213405 S\n0.453711 0.080344 0.284258 S\n-0.005127 0.995856 0.634209 S\n0.175712 0.551307 0.493841 S\n0.772559 0.183827 0.572658 S\n0.808230 0.497471 0.171233 S\n0.872437 0.705862 0.913678 S\n0.567176 0.609539 0.819128 S\n0.188756 0.400117 0.711955 S\n0.332424 -0.004200 0.853329 S\n0.001999 0.283812 0.197307 S\n0.072272 0.226518 0.515706 S\n0.224527 0.330660 0.300717 S\n0.467812 0.701760 0.571340 S\n0.646176 0.834166 0.298504 S\n0.704296 0.487119 0.625080 S\n0.301993 0.858107 0.783987 S\n0.497118 0.380665 0.183300 S\n0.245814 0.858244 0.317132 S\n0.093317 0.567130 0.205936 S\n0.268746 0.671370 0.035572 S\n0.738888 0.079058 0.288594 S\n-0.015107 0.957238 0.361458 S\n0.614723 0.299777 0.401418 S\n0.877400 0.415089 0.405817 S\n0.436101 0.139786 0.593940 S\n0.767072 0.933885 0.012453 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4216714506873545,"density_atomic":0.04227955581515802,"volume":2365.20933278462,"volume_molar":14.243623528894666,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-327.92931588,"energy_per_atom":-3.2792931588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.77931588,"band_gap":0.8919999999999997,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.833000Z","spacegroup":1},{"id":"mp-1203849","created_at":"2022-09-04T14:39:07.278830Z","structure_string":"Ga16 Sb14 Se16 Cl58\n1.0\n11.141573 0.000000 0.000000\n5.302989 15.065196 0.000000\n2.048856 2.934804 19.218280\nGa Sb Se Cl\n16 14 16 58\ndirect\n0.791446 0.373050 0.587427 Ga\n0.208554 0.626950 0.412573 Ga\n0.960521 0.272160 0.997966 Ga\n0.039479 0.727840 0.002034 Ga\n0.636930 0.601637 0.903209 Ga\n0.363070 0.398363 0.096791 Ga\n0.568557 0.798319 0.747963 Ga\n0.431443 0.201681 0.252037 Ga\n0.416746 0.833243 0.496500 Ga\n0.583254 0.166757 0.503500 Ga\n0.775868 0.833267 0.495744 Ga\n0.224132 0.166733 0.504256 Ga\n0.683914 0.047189 0.979419 Ga\n0.316086 0.952811 0.020581 Ga\n0.873048 0.111996 0.811366 Ga\n0.126952 0.888004 0.188634 Ga\n0.220263 0.486951 0.732229 Sb\n0.779737 0.513049 0.267771 Sb\n0.269040 0.706726 0.788632 Sb\n0.730960 0.293274 0.211368 Sb\n0.127097 0.722507 0.611651 Sb\n0.872903 0.277493 0.388349 Sb\n0.939718 0.702668 0.790113 Sb\n0.060282 0.297332 0.209887 Sb\n0.150563 0.258389 0.711621 Sb\n0.849437 0.741611 0.288379 Sb\n0.285794 0.274077 0.882016 Sb\n0.714206 0.725923 0.117984 Sb\n0.499013 0.256569 0.710763 Sb\n0.500987 0.743431 0.289237 Sb\n0.155976 0.580506 0.845155 Se\n0.844024 0.419494 0.154845 Se\n0.060225 0.818419 0.721245 Se\n0.939775 0.181581 0.278755 Se\n0.345483 0.631623 0.675290 Se\n0.654517 0.368377 0.324710 Se\n0.978581 0.625963 0.676903 Se\n0.021419 0.374037 0.323097 Se\n0.085014 0.377296 0.805423 Se\n0.914986 0.622704 0.194577 Se\n0.357972 0.156629 0.788147 Se\n0.642028 0.843371 0.211853 Se\n0.299876 0.338159 0.632867 Se\n0.700124 0.661841 0.367133 Se\n0.430271 0.371192 0.806700 Se\n0.569729 0.628808 0.193300 Se\n0.597877 0.419900 0.638892 Cl\n0.402123 0.580100 0.361108 Cl\n0.858958 0.228261 0.592970 Cl\n0.141042 0.771739 0.407030 Cl\n0.779289 0.438090 0.475984 Cl\n0.220711 0.561910 0.524016 Cl\n0.920814 0.420625 0.638537 Cl\n0.079186 0.579375 0.361463 Cl\n0.972184 0.188305 0.103271 Cl\n0.027816 0.811695 0.896729 Cl\n0.079423 0.184100 0.922624 Cl\n0.920577 0.815900 0.077376 Cl\n0.762049 0.334065 0.976625 Cl\n0.237951 0.665935 0.023375 Cl\n0.062252 0.368713 0.000099 Cl\n0.937748 0.631287 0.999901 Cl\n0.626564 0.588698 0.015213 Cl\n0.373436 0.411302 0.984787 Cl\n0.829315 0.547502 0.856942 Cl\n0.170685 0.452498 0.143058 Cl\n0.504654 0.552981 0.858946 Cl\n0.495346 0.447019 0.141054 Cl\n0.572718 0.756584 0.869899 Cl\n0.427282 0.243416 0.130101 Cl\n0.704060 0.872131 0.726126 Cl\n0.295940 0.127869 0.273874 Cl\n0.631252 0.674144 0.705679 Cl\n0.368748 0.325856 0.294321 Cl\n0.371043 0.878391 0.730717 Cl\n0.628957 0.121609 0.269283 Cl\n0.242996 0.887688 0.559456 Cl\n0.757004 0.112312 0.440544 Cl\n0.470737 0.689103 0.504571 Cl\n0.529263 0.310897 0.495429 Cl\n0.414303 0.902135 0.389871 Cl\n0.585697 0.097865 0.610129 Cl\n0.569736 0.869704 0.549539 Cl\n0.430264 0.130296 0.450461 Cl\n0.875666 0.891649 0.554583 Cl\n0.124334 0.108351 0.445417 Cl\n0.856538 0.688971 0.506286 Cl\n0.143462 0.311029 0.493714 Cl\n0.747723 0.897389 0.387786 Cl\n0.252277 0.102611 0.612214 Cl\n0.700054 0.047263 0.088314 Cl\n0.299946 0.952737 0.911686 Cl\n0.651037 0.931505 0.952264 Cl\n0.348963 0.068495 0.047736 Cl\n0.565073 0.179277 0.926412 Cl\n0.434927 0.820723 0.073588 Cl\n0.883936 0.050832 0.929353 Cl\n0.116064 0.949168 0.070647 Cl\n0.067701 0.055906 0.770622 Cl\n0.932299 0.944094 0.229378 Cl\n0.736582 0.061965 0.773601 Cl\n0.263418 0.938035 0.226399 Cl\n0.811873 0.257747 0.795725 Cl\n0.188127 0.742253 0.204275 Cl\n","nsites":104,"nelements":4,"elements":["Ga","Sb","Se","Cl"],"chemical_system":"Cl-Ga-Sb-Se","density":3.1606068707504154,"density_atomic":0.0322401850862451,"volume":3225.7879327240707,"volume_molar":18.678989416128623,"formula_full":"Ga16 Sb14 Se16 Cl58","formula_reduced":"Ga8Sb7Se8Cl29","formula_anonymous":"A7B8C8D29","energy":-403.63801228,"energy_per_atom":-3.8811347334615385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.47401228,"band_gap":1.6847,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4005745,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.206000Z","spacegroup":2},{"id":"mp-1218968","created_at":"2022-09-04T14:39:07.296211Z","structure_string":"Sm1 Sb1 Pt1\n1.0\n0.000000 3.476643 3.476643\n3.476643 0.000000 3.476643\n3.476643 3.476643 0.000000\nSm Sb Pt\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pt\n","nsites":3,"nelements":3,"elements":["Sm","Sb","Pt"],"chemical_system":"Pt-Sb-Sm","density":9.23092797094404,"density_atomic":0.035695294307619516,"volume":84.04469155363205,"volume_molar":16.870965422225176,"formula_full":"Sm1 Sb1 Pt1","formula_reduced":"SmSbPt","formula_anonymous":"ABC","energy":-16.276160700000002,"energy_per_atom":-5.4253869,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.0841607,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.17e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.949000Z","spacegroup":216},{"id":"mp-1215167","created_at":"2022-09-04T14:39:07.328636Z","structure_string":"Zr1 W1 C2\n1.0\n5.333833 -1.600973 0.000000\n5.333833 1.600973 0.000000\n4.853294 0.000000 2.731011\nZr W C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 W\n0.243578 0.243578 0.243578 C\n0.756422 0.756422 0.756422 C\n","nsites":4,"nelements":3,"elements":["Zr","W","C"],"chemical_system":"C-W-Zr","density":10.647985325421931,"density_atomic":0.08575967461101752,"volume":46.64196801285579,"volume_molar":7.022112417420876,"formula_full":"Zr1 W1 C2","formula_reduced":"ZrWC2","formula_anonymous":"ABC2","energy":-41.3852594,"energy_per_atom":-10.34631485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.3852594,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042224,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.474000Z","spacegroup":166},{"id":"mp-1047760","created_at":"2022-09-04T14:39:07.530871Z","structure_string":"Ca6 Cu6 Bi12 O42\n1.0\n9.147986 0.000000 0.000000\n0.000000 10.400087 0.000000\n0.000000 1.297817 11.461333\nCa Cu Bi O\n6 6 12 42\ndirect\n0.475662 0.825321 0.583140 Ca\n0.966093 0.500000 0.750000 Ca\n0.475662 0.174679 0.916860 Ca\n0.033907 0.500000 0.250000 Ca\n0.524338 0.174679 0.416860 Ca\n0.524338 0.825321 0.083140 Ca\n0.900968 0.216639 0.408459 Cu\n0.099032 0.783361 0.591541 Cu\n0.402626 0.500000 0.250000 Cu\n0.900968 0.783361 0.091541 Cu\n0.597374 0.500000 0.750000 Cu\n0.099032 0.216639 0.908459 Cu\n0.185037 0.815179 0.312162 Bi\n0.774716 0.857289 0.381091 Bi\n0.225284 0.857289 0.881091 Bi\n0.814963 0.815179 0.812162 Bi\n0.301538 0.505519 0.974780 Bi\n0.774716 0.142711 0.118909 Bi\n0.698462 0.505519 0.474780 Bi\n0.225284 0.142711 0.618909 Bi\n0.301538 0.494481 0.525220 Bi\n0.698462 0.494481 0.025220 Bi\n0.814963 0.184821 0.687838 Bi\n0.185037 0.184821 0.187838 Bi\n0.746473 0.746447 0.994644 O\n0.768591 0.153326 0.301986 O\n0.898009 0.000000 0.750000 O\n0.888227 0.467468 0.106796 O\n0.374643 0.034191 0.539197 O\n0.946622 0.725982 0.694627 O\n0.354099 0.704660 0.961771 O\n0.111773 0.467468 0.606796 O\n0.745285 0.547513 0.847785 O\n0.374643 0.965809 0.960803 O\n0.745285 0.452487 0.652215 O\n0.479383 0.441044 0.880065 O\n0.995616 0.168332 0.051642 O\n0.053378 0.725982 0.194627 O\n0.645901 0.295340 0.038229 O\n0.354099 0.295340 0.538229 O\n0.946622 0.274018 0.805373 O\n0.625357 0.965809 0.460803 O\n0.253527 0.746447 0.494644 O\n0.520617 0.558956 0.119935 O\n0.388229 0.186222 0.253824 O\n0.254715 0.452487 0.152215 O\n0.004384 0.168332 0.551642 O\n0.254715 0.547513 0.347785 O\n0.888227 0.532532 0.393204 O\n0.520617 0.441044 0.380065 O\n0.111773 0.532532 0.893204 O\n0.611771 0.186222 0.753824 O\n0.611771 0.813778 0.746176 O\n0.004384 0.831668 0.948358 O\n0.053378 0.274018 0.305373 O\n0.746473 0.253553 0.505356 O\n0.101991 0.000000 0.250000 O\n0.231409 0.153326 0.801986 O\n0.625357 0.034191 0.039197 O\n0.995616 0.831668 0.448358 O\n0.253527 0.253553 0.005356 O\n0.768591 0.846674 0.198014 O\n0.479383 0.558956 0.619935 O\n0.645901 0.704660 0.461771 O\n0.231409 0.846674 0.698014 O\n0.388229 0.813778 0.246176 O\n","nsites":66,"nelements":4,"elements":["Ca","Cu","Bi","O"],"chemical_system":"Bi-Ca-Cu-O","density":5.789014325637528,"density_atomic":0.060526608701343854,"volume":1090.4295055694179,"volume_molar":9.949575714236726,"formula_full":"Ca6 Cu6 Bi12 O42","formula_reduced":"CaCuBi2O7","formula_anonymous":"ABC2D7","energy":-389.50121901,"energy_per_atom":-5.901533621363637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-360.64721901,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0449908,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.473000Z","spacegroup":13},{"id":"mp-1093954","created_at":"2022-09-04T14:39:07.439799Z","structure_string":"Be2 Pd1 Au1\n1.0\n-4.300719 4.829146 6.828021\n4.300719 -4.829146 6.828021\n4.300719 4.829146 -6.828021\nBe Pd Au\n2 1 1\ndirect\n0.000000 0.243590 0.243590 Be\n0.000000 0.756410 0.756410 Be\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Be","Pd","Au"],"chemical_system":"Au-Be-Pd","density":0.9409000686705409,"density_atomic":0.007051698713168283,"volume":567.2392089767582,"volume_molar":85.39985902622733,"formula_full":"Be2 Pd1 Au1","formula_reduced":"Be2PdAu","formula_anonymous":"ABC2","energy":-9.54872554,"energy_per_atom":-2.387181385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-9.54872554,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.59e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.719000Z","spacegroup":71},{"id":"mp-14429","created_at":"2022-09-04T14:39:05.700819Z","structure_string":"Cs8 K32 Ga8 O32\n1.0\n6.778276 0.000000 0.000000\n0.000000 11.745136 0.000000\n0.000000 0.000000 21.157045\nCs K Ga O\n8 32 8 32\ndirect\n0.421964 0.154660 0.498141 Cs\n0.921964 0.845340 0.001859 Cs\n0.078036 0.654660 0.501859 Cs\n0.578036 0.345340 0.998141 Cs\n0.578036 0.845340 0.501859 Cs\n0.078036 0.154660 0.998141 Cs\n0.921964 0.345340 0.498141 Cs\n0.421964 0.654660 0.001859 Cs\n0.586935 0.923474 0.251991 K\n0.086935 0.076526 0.248009 K\n0.913065 0.423474 0.748009 K\n0.413065 0.576526 0.751991 K\n0.413065 0.076526 0.748009 K\n0.913065 0.923474 0.751991 K\n0.086935 0.576526 0.251991 K\n0.586935 0.423474 0.248009 K\n0.407627 0.942068 0.067332 K\n0.592373 0.557932 0.567332 K\n0.092373 0.442068 0.932668 K\n0.092373 0.942068 0.567332 K\n0.592373 0.057932 0.932668 K\n0.407627 0.442068 0.432668 K\n0.907627 0.557932 0.067332 K\n0.088142 0.325560 0.322411 K\n0.588142 0.674440 0.177589 K\n0.411858 0.825560 0.677589 K\n0.911858 0.674440 0.677589 K\n0.411858 0.325560 0.822411 K\n0.588142 0.174440 0.322411 K\n0.088142 0.825560 0.177589 K\n0.410180 0.702765 0.360220 K\n0.910180 0.297235 0.139780 K\n0.089820 0.202765 0.639780 K\n0.589820 0.797235 0.860220 K\n0.589820 0.297235 0.639780 K\n0.089820 0.702765 0.860220 K\n0.910180 0.797235 0.360220 K\n0.410180 0.202765 0.139780 K\n0.907627 0.057932 0.432668 K\n0.911858 0.174440 0.822411 K\n0.803922 0.533932 0.371619 Ga\n0.303922 0.466068 0.128381 Ga\n0.696078 0.033932 0.628381 Ga\n0.196078 0.966068 0.871619 Ga\n0.196078 0.466068 0.628381 Ga\n0.696078 0.533932 0.871619 Ga\n0.303922 0.966068 0.371619 Ga\n0.803922 0.033932 0.128381 Ga\n0.276421 0.882699 0.797185 O\n0.776421 0.117301 0.702815 O\n0.223579 0.382699 0.202815 O\n0.723579 0.617301 0.297185 O\n0.723579 0.117301 0.202815 O\n0.223579 0.882699 0.297185 O\n0.776421 0.617301 0.797185 O\n0.276421 0.382699 0.702815 O\n0.315524 0.395688 0.556274 O\n0.815524 0.604312 0.943726 O\n0.815524 0.104312 0.556274 O\n0.315524 0.895688 0.943726 O\n0.684476 0.604312 0.443726 O\n0.184476 0.395688 0.056274 O\n0.085550 0.537829 0.378761 O\n0.585550 0.462171 0.121239 O\n0.414450 0.037829 0.621239 O\n0.914450 0.962171 0.878761 O\n0.914450 0.462171 0.621239 O\n0.414450 0.537829 0.878761 O\n0.184476 0.895688 0.443726 O\n0.585550 0.962171 0.378761 O\n0.085550 0.037829 0.121239 O\n0.721337 0.377939 0.364082 O\n0.221337 0.622061 0.135918 O\n0.778663 0.877939 0.635918 O\n0.278663 0.122061 0.864082 O\n0.278663 0.622061 0.635918 O\n0.778663 0.377939 0.864082 O\n0.221337 0.122061 0.364082 O\n0.721337 0.877939 0.135918 O\n0.684476 0.104312 0.056274 O\n","nsites":80,"nelements":4,"elements":["Cs","K","Ga","O"],"chemical_system":"Cs-Ga-K-O","density":3.336313931708577,"density_atomic":0.04749607029230662,"volume":1684.3498737401512,"volume_molar":12.679240035939273,"formula_full":"Cs8 K32 Ga8 O32","formula_reduced":"CsK4GaO4","formula_anonymous":"ABC4D4","energy":-362.38699129,"energy_per_atom":-4.5298373911250005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-340.40299129,"band_gap":2.2621,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0421005,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.600000Z","spacegroup":61},{"id":"mp-1222813","created_at":"2022-09-04T14:39:07.184300Z","structure_string":"Lu3 Ga6 Ni9\n1.0\n4.348478 -7.531784 0.000000\n4.348478 7.531784 0.000000\n0.000000 0.000000 4.065605\nLu Ga Ni\n3 6 9\ndirect\n0.666667 0.333333 0.500000 Lu\n0.333333 0.666667 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.485354 0.485354 0.000000 Ga\n0.514646 0.000000 0.000000 Ga\n0.000000 0.514646 0.000000 Ga\n0.729085 0.729085 0.500000 Ga\n0.270915 0.000000 0.500000 Ga\n0.000000 0.270915 0.500000 Ga\n0.823510 0.195987 0.000000 Ni\n0.804013 0.627523 0.000000 Ni\n0.372477 0.176490 0.000000 Ni\n0.195987 0.823510 0.000000 Ni\n0.627523 0.804013 0.000000 Ni\n0.176490 0.372477 0.000000 Ni\n0.295630 0.295630 0.500000 Ni\n0.704370 0.000000 0.500000 Ni\n0.000000 0.704370 0.500000 Ni\n","nsites":18,"nelements":3,"elements":["Lu","Ga","Ni"],"chemical_system":"Ga-Lu-Ni","density":9.175147014639037,"density_atomic":0.06758996067828626,"volume":266.3117394856337,"volume_molar":8.909815451238535,"formula_full":"Lu3 Ga6 Ni9","formula_reduced":"LuGa2Ni3","formula_anonymous":"AB2C3","energy":-93.84588209,"energy_per_atom":-5.213660116111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.84588209,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1219394,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.580000Z","spacegroup":189},{"id":"mp-1225902","created_at":"2022-09-04T14:39:07.187544Z","structure_string":"Cs1 K1\n1.0\n2.941658 -4.090562 0.000000\n2.941658 4.090562 0.000000\n0.000000 0.000000 7.712267\nCs K\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 K\n","nsites":2,"nelements":2,"elements":["Cs","K"],"chemical_system":"Cs-K","density":1.5388624628247156,"density_atomic":0.010775632812941293,"volume":185.6039487164081,"volume_molar":55.88665523910154,"formula_full":"Cs1 K1","formula_reduced":"CsK","formula_anonymous":"AB","energy":-1.92327077,"energy_per_atom":-0.961635385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.92327077,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001348,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.134000Z","spacegroup":65},{"id":"mp-28987","created_at":"2022-09-04T14:39:05.722836Z","structure_string":"Na4 Pt8 Se12\n1.0\n3.762507 -6.516853 0.000000\n3.762507 6.516853 0.000000\n0.000000 0.000000 11.640483\nNa Pt Se\n4 8 12\ndirect\n0.333333 0.666667 0.313756 Na\n0.666667 0.333333 0.813756 Na\n0.000000 0.000000 0.690901 Na\n0.000000 0.000000 0.190901 Na\n0.833872 0.166128 0.006410 Pt\n0.667743 0.833872 0.506410 Pt\n0.166128 0.332257 0.506410 Pt\n0.833872 0.667743 0.006410 Pt\n0.332257 0.166128 0.006410 Pt\n0.166128 0.833872 0.506410 Pt\n0.666667 0.333333 0.499163 Pt\n0.333333 0.666667 0.999163 Pt\n0.498394 0.501606 0.609950 Se\n0.996789 0.498394 0.109950 Se\n0.501606 0.003211 0.109950 Se\n0.498394 0.996789 0.609950 Se\n0.159810 0.840190 0.897633 Se\n0.319621 0.159810 0.397633 Se\n0.840190 0.680379 0.397633 Se\n0.159810 0.319621 0.897633 Se\n0.680379 0.840190 0.897633 Se\n0.840190 0.159810 0.397633 Se\n0.501606 0.498394 0.109950 Se\n0.003211 0.501606 0.609950 Se\n","nsites":24,"nelements":3,"elements":["Na","Pt","Se"],"chemical_system":"Na-Pt-Se","density":7.563650313673438,"density_atomic":0.0420431264305324,"volume":570.8424191444243,"volume_molar":14.323722499444342,"formula_full":"Na4 Pt8 Se12","formula_reduced":"NaPt2Se3","formula_anonymous":"AB2C3","energy":-115.37950283,"energy_per_atom":-4.807479284583334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.71550283000002,"band_gap":0.9897,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042069,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.925000Z","spacegroup":186},{"id":"mp-1093576","created_at":"2022-09-04T14:39:10.314738Z","structure_string":"Y2 Cd1 In1\n1.0\n-6.149746 6.205991 8.930231\n6.149746 -6.205991 8.930231\n6.149746 6.205991 -8.930231\nY Cd In\n2 1 1\ndirect\n0.742116 0.000000 0.742116 Y\n0.257884 0.000000 0.257884 Y\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n","nsites":4,"nelements":3,"elements":["Y","Cd","In"],"chemical_system":"Cd-In-Y","density":0.49335184642912117,"density_atomic":0.0029340599741495576,"volume":1363.2986493943113,"volume_molar":205.2494091142608,"formula_full":"Y2 Cd1 In1","formula_reduced":"Y2CdIn","formula_anonymous":"ABC2","energy":-8.57440892,"energy_per_atom":-2.14360223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.57440892,"band_gap":0.1166,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.9987295,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.335000Z","spacegroup":71}]}