{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=12123","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=12121","results":[{"id":"mp-1037428","created_at":"2022-09-04T14:40:33.873244Z","structure_string":"Y1 Mg30 Cd1 O32\n1.0\n8.654869 0.000000 0.000000\n0.000000 8.654869 0.000000\n0.000000 0.000000 8.645331\nY Mg Cd O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255111 0.255111 0.000000 Mg\n0.744889 0.255111 0.000000 Mg\n0.255111 0.744889 0.000000 Mg\n0.744889 0.744889 0.000000 Mg\n0.251012 0.251012 0.500000 Mg\n0.748988 0.251012 0.500000 Mg\n0.251012 0.748988 0.500000 Mg\n0.748988 0.748988 0.500000 Mg\n0.256573 0.000000 0.256272 Mg\n0.743427 0.000000 0.256272 Mg\n0.249368 0.500000 0.252404 Mg\n0.750632 0.500000 0.252404 Mg\n0.256573 0.000000 0.743728 Mg\n0.743427 0.000000 0.743728 Mg\n0.249368 0.500000 0.747596 Mg\n0.750632 0.500000 0.747596 Mg\n0.000000 0.256573 0.256272 Mg\n0.500000 0.249368 0.252404 Mg\n0.000000 0.743427 0.256272 Mg\n0.500000 0.750632 0.252404 Mg\n0.000000 0.256573 0.743728 Mg\n0.500000 0.249368 0.747596 Mg\n0.000000 0.743427 0.743728 Mg\n0.500000 0.750632 0.747596 Mg\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.259153 O\n0.500000 0.000000 0.254259 O\n0.000000 0.500000 0.254259 O\n0.500000 0.500000 0.268174 O\n0.000000 0.000000 0.740847 O\n0.500000 0.000000 0.745741 O\n0.000000 0.500000 0.745741 O\n0.500000 0.500000 0.731826 O\n0.249088 0.249088 0.249568 O\n0.750912 0.249088 0.249568 O\n0.249088 0.750912 0.249568 O\n0.750912 0.750912 0.249568 O\n0.249088 0.249088 0.750432 O\n0.750912 0.249088 0.750432 O\n0.249088 0.750912 0.750432 O\n0.750912 0.750912 0.750432 O\n0.257084 0.000000 0.000000 O\n0.742916 0.000000 0.000000 O\n0.232518 0.500000 0.000000 O\n0.767482 0.500000 0.000000 O\n0.250324 0.000000 0.500000 O\n0.749676 0.000000 0.500000 O\n0.246664 0.500000 0.500000 O\n0.753336 0.500000 0.500000 O\n0.000000 0.257084 0.000000 O\n0.500000 0.232518 0.000000 O\n0.000000 0.742916 0.000000 O\n0.500000 0.767482 0.000000 O\n0.000000 0.250324 0.500000 O\n0.500000 0.246664 0.500000 O\n0.000000 0.749676 0.500000 O\n0.500000 0.753336 0.500000 O\n","nsites":64,"nelements":4,"elements":["Y","Mg","Cd","O"],"chemical_system":"Cd-Mg-O-Y","density":3.698678091303499,"density_atomic":0.09882739566771337,"volume":647.5937119216086,"volume_molar":6.093594513254401,"formula_full":"Y1 Mg30 Cd1 O32","formula_reduced":"YMg30CdO32","formula_anonymous":"ABC30D32","energy":-403.23763557,"energy_per_atom":-6.30058805578125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-381.25363557,"band_gap":0.615499999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007773,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.755000Z","spacegroup":123},{"id":"mp-567729","created_at":"2022-09-04T14:40:37.621043Z","structure_string":"La14 C6 I20\n1.0\n9.901610 0.000000 0.000000\n4.880321 10.910779 0.000000\n4.591599 0.827066 13.434421\nLa C I\n14 6 20\ndirect\n0.045771 0.420581 0.833989 La\n0.830963 0.241732 0.100714 La\n0.048916 0.884899 0.175884 La\n0.377664 0.929030 0.640606 La\n0.745945 0.951257 0.079220 La\n0.254055 0.048743 0.920780 La\n0.867267 0.723602 0.414502 La\n0.132733 0.276398 0.585498 La\n0.951084 0.115101 0.824116 La\n0.539429 0.794133 0.308512 La\n0.954229 0.579419 0.166011 La\n0.460571 0.205867 0.691488 La\n0.622336 0.070970 0.359394 La\n0.169037 0.758268 0.899286 La\n0.168625 0.226375 0.768526 C\n0.961667 0.056380 0.022613 C\n0.754970 0.886761 0.276403 C\n0.245030 0.113239 0.723597 C\n0.038333 0.943620 0.977387 C\n0.831375 0.773625 0.231474 C\n0.041783 0.434836 0.363780 I\n0.143222 0.303826 0.041281 I\n0.604073 0.078550 0.878051 I\n0.646133 0.524473 0.224779 I\n0.434601 0.344018 0.478615 I\n0.565399 0.655982 0.521385 I\n0.282572 0.046942 0.430944 I\n0.395927 0.921450 0.121949 I\n0.856778 0.696174 0.958719 I\n0.187713 0.752785 0.373825 I\n0.717596 0.391873 0.908373 I\n0.353867 0.475527 0.775221 I\n0.282404 0.608127 0.091627 I\n0.930346 0.130644 0.303173 I\n0.069654 0.869356 0.696827 I\n0.500632 0.218980 0.169321 I\n0.717428 0.953058 0.569056 I\n0.958217 0.565164 0.636220 I\n0.812287 0.247215 0.626175 I\n0.499368 0.781020 0.830679 I\n","nsites":40,"nelements":3,"elements":["La","C","I"],"chemical_system":"C-I-La","density":5.211236193528867,"density_atomic":0.027560015773745193,"volume":1451.3779791848178,"volume_molar":21.851006216538313,"formula_full":"La14 C6 I20","formula_reduced":"La7C3I10","formula_anonymous":"A3B7C10","energy":-212.88708371,"energy_per_atom":-5.3221770927500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-205.30708371,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015995,"is_theoretical":false,"updated_at":"2021-11-28T01:35:06.215000Z","spacegroup":2},{"id":"mp-644264","created_at":"2022-09-04T14:40:32.602014Z","structure_string":"Ca4 Mg4 Fe3 H22\n1.0\n6.685289 0.000000 0.000000\n0.000000 6.685289 0.000000\n0.000000 0.000000 6.685289\nCa Mg Fe H\n4 4 3 22\ndirect\n0.291139 0.291139 0.708861 Ca\n0.291139 0.708861 0.291139 Ca\n0.708861 0.291139 0.291139 Ca\n0.708861 0.708861 0.708861 Ca\n0.787539 0.787539 0.212461 Mg\n0.787539 0.212461 0.787539 Mg\n0.212461 0.787539 0.787539 Mg\n0.212461 0.212461 0.212461 Mg\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.236568 H\n0.500000 0.763432 0.000000 H\n0.763432 0.000000 0.500000 H\n0.000000 0.763432 0.500000 H\n0.500000 0.000000 0.236568 H\n0.763432 0.500000 0.000000 H\n0.000000 0.500000 0.763432 H\n0.500000 0.236568 0.000000 H\n0.000000 0.236568 0.500000 H\n0.500000 0.000000 0.763432 H\n0.236568 0.000000 0.500000 H\n0.236568 0.500000 0.000000 H\n0.000000 0.000000 0.263811 H\n0.000000 0.736189 0.000000 H\n0.736189 0.000000 0.000000 H\n0.000000 0.000000 0.736189 H\n0.000000 0.263811 0.000000 H\n0.263811 0.000000 0.000000 H\n0.627317 0.627317 0.372683 H\n0.627317 0.372683 0.627317 H\n0.372683 0.627317 0.627317 H\n0.372683 0.372683 0.372683 H\n","nsites":33,"nelements":4,"elements":["Ca","Mg","Fe","H"],"chemical_system":"Ca-Fe-H-Mg","density":2.4855975315865693,"density_atomic":0.11044686198123531,"volume":298.7862163581128,"volume_molar":5.452523188049606,"formula_full":"Ca4 Mg4 Fe3 H22","formula_reduced":"Ca4Mg4Fe3H22","formula_anonymous":"A3B4C4D22","energy":-131.97418635999998,"energy_per_atom":-3.9992177684848476,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.03618636,"band_gap":1.4456000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0005968,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.318000Z","spacegroup":215},{"id":"mp-667368","created_at":"2022-09-04T14:40:33.797575Z","structure_string":"Si32 O64\n1.0\n-4.335634 9.631942 11.780415\n4.335634 -9.631942 11.780415\n4.335634 9.631942 -11.780415\nSi O\n32 64\ndirect\n0.585652 0.410641 0.542146 Si\n0.756534 0.938342 0.181807 Si\n0.868494 0.410641 0.824989 Si\n0.930833 0.479525 0.082499 Si\n0.868494 0.043506 0.457854 Si\n0.790709 0.119412 0.041932 Si\n0.243466 0.425273 0.181807 Si\n0.069167 0.520475 0.917501 Si\n0.131506 0.589359 0.175011 Si\n0.922521 0.880588 0.671297 Si\n0.077479 0.119412 0.328703 Si\n0.922521 0.251223 0.041932 Si\n0.414348 0.589359 0.457854 Si\n0.602975 0.520475 0.451308 Si\n0.790709 0.748777 0.671297 Si\n0.209291 0.880588 0.958068 Si\n0.930833 0.848333 0.451308 Si\n0.756534 0.574727 0.818193 Si\n0.602975 0.151667 0.082499 Si\n0.414348 0.956494 0.824989 Si\n0.077479 0.748777 0.958068 Si\n0.118084 0.802386 0.684301 Si\n0.397025 0.848333 0.917501 Si\n0.243466 0.061658 0.818193 Si\n0.069167 0.151667 0.548692 Si\n0.131506 0.956494 0.542146 Si\n0.881916 0.197614 0.315699 Si\n0.585652 0.043506 0.175011 Si\n0.209291 0.251223 0.328703 Si\n0.397025 0.479525 0.548692 Si\n0.118084 0.433783 0.315699 Si\n0.881916 0.566217 0.684301 Si\n0.788406 0.941728 0.291497 O\n0.398851 0.773515 0.625335 O\n0.610951 0.520641 0.556278 O\n0.868767 0.402817 0.921267 O\n0.851820 0.226485 0.625335 O\n0.151088 0.238650 0.389737 O\n0.693491 0.167034 0.064254 O\n0.148180 0.773515 0.374665 O\n0.601149 0.226485 0.374665 O\n0.842362 0.673452 0.694966 O\n0.306509 0.832966 0.935746 O\n0.306509 0.370763 0.473544 O\n0.481550 0.402817 0.534050 O\n0.211594 0.058272 0.708503 O\n0.080816 0.333692 0.747124 O\n0.021514 0.852604 0.694966 O\n0.349770 0.058272 0.846679 O\n0.978486 0.147396 0.305034 O\n0.922436 0.071250 0.851185 O\n0.650230 0.941728 0.153321 O\n0.481550 0.947501 0.078733 O\n0.021514 0.326548 0.168911 O\n0.964363 0.054673 0.443722 O\n0.814073 0.528307 0.714234 O\n0.779935 0.928750 0.851185 O\n0.848912 0.761350 0.610263 O\n0.131233 0.052499 0.534050 O\n0.131233 0.597183 0.078733 O\n0.035637 0.945327 0.556278 O\n0.211594 0.503091 0.153321 O\n0.349770 0.503091 0.291497 O\n0.978486 0.673452 0.831089 O\n0.610951 0.054673 0.090310 O\n0.185927 0.900162 0.714234 O\n0.650230 0.496909 0.708503 O\n0.586568 0.333692 0.252876 O\n0.842362 0.147396 0.168911 O\n0.102781 0.167034 0.473544 O\n0.151088 0.761350 0.912438 O\n0.413432 0.666308 0.747124 O\n0.389049 0.479359 0.443722 O\n0.157638 0.326548 0.305034 O\n0.077564 0.928750 0.148815 O\n0.897219 0.370763 0.064254 O\n0.389049 0.945327 0.909690 O\n0.773046 0.773046 0.000000 O\n0.518450 0.597183 0.465950 O\n0.220065 0.071250 0.148815 O\n0.868767 0.947501 0.465950 O\n0.102781 0.629237 0.935746 O\n0.893568 0.393568 0.500000 O\n0.157638 0.852604 0.831089 O\n0.106432 0.606432 0.500000 O\n0.693491 0.629237 0.526456 O\n0.897219 0.832966 0.526456 O\n0.788406 0.496909 0.846679 O\n0.919184 0.666308 0.252876 O\n0.518450 0.052499 0.921267 O\n0.964363 0.520641 0.909690 O\n0.226954 0.226954 0.000000 O\n0.814073 0.099838 0.285766 O\n0.185927 0.471693 0.285766 O\n0.035637 0.479359 0.090310 O\n0.848912 0.238650 0.087562 O\n","nsites":96,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":1.6224563748803997,"density_atomic":0.0487847607604597,"volume":1967.8276269791304,"volume_molar":12.34430725113031,"formula_full":"Si32 O64","formula_reduced":"SiO2","formula_anonymous":"AB2","energy":-802.7685918499999,"energy_per_atom":-8.362172831770833,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-758.80059185,"band_gap":5.5885,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":6.75e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.466000Z","spacegroup":71},{"id":"mp-22885","created_at":"2022-09-04T14:40:32.608831Z","structure_string":"Xe1 F2\n1.0\n-2.241840 2.241840 3.612412\n2.241840 -2.241840 3.612412\n2.241840 2.241840 -3.612412\nXe F\n1 2\ndirect\n0.000000 0.000000 0.000000 Xe\n0.712301 0.712301 0.000000 F\n0.287699 0.287699 0.000000 F\n","nsites":3,"nelements":2,"elements":["Xe","F"],"chemical_system":"F-Xe","density":3.8709130007164902,"density_atomic":0.041309958580148506,"volume":72.62171406392186,"volume_molar":14.577939477513636,"formula_full":"Xe1 F2","formula_reduced":"XeF2","formula_anonymous":"AB2","energy":-6.20931119,"energy_per_atom":-2.0697703966666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.28531119,"band_gap":2.6861999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.99e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:00.007000Z","spacegroup":139},{"id":"mp-1079288","created_at":"2022-09-04T14:40:32.620101Z","structure_string":"Pr2 P4 Rh4\n1.0\n4.185490 0.000000 0.000000\n0.000000 4.185490 0.000000\n0.000000 0.000000 9.637989\nPr P Rh\n2 4 4\ndirect\n0.000000 0.500000 0.257626 Pr\n0.500000 0.000000 0.742374 Pr\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.000000 0.500000 0.862233 P\n0.500000 0.000000 0.137767 P\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.612412 Rh\n0.500000 0.000000 0.387588 Rh\n","nsites":10,"nelements":3,"elements":["Pr","P","Rh"],"chemical_system":"P-Pr-Rh","density":8.038383861051281,"density_atomic":0.059227166561248074,"volume":168.84143849189184,"volume_molar":10.167869087190548,"formula_full":"Pr2 P4 Rh4","formula_reduced":"Pr(PRh)2","formula_anonymous":"AB2C2","energy":-71.61241219,"energy_per_atom":-7.161241219,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.61241219,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002349,"is_theoretical":false,"updated_at":"2021-11-28T01:35:07.717000Z","spacegroup":129},{"id":"mp-553939","created_at":"2022-09-04T14:40:32.620277Z","structure_string":"Ca4 C4 O12\n1.0\n4.543395 0.000000 0.000000\n0.000000 6.661488 0.000000\n0.000000 0.000000 8.531945\nCa C O\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.500000 Ca\n0.027483 0.635568 0.250000 C\n0.527483 0.864432 0.750000 C\n0.472517 0.135568 0.250000 C\n0.972517 0.364432 0.750000 C\n0.218991 0.047454 0.250000 O\n0.097339 0.319840 0.617060 O\n0.281009 0.547454 0.250000 O\n0.902661 0.680160 0.382940 O\n0.402661 0.819840 0.617060 O\n0.781009 0.952546 0.750000 O\n0.597339 0.180160 0.382940 O\n0.597339 0.180160 0.117060 O\n0.402661 0.819840 0.882940 O\n0.902661 0.680160 0.117060 O\n0.097339 0.319840 0.882940 O\n0.718991 0.452546 0.750000 O\n","nsites":20,"nelements":3,"elements":["Ca","C","O"],"chemical_system":"C-Ca-O","density":2.574462285323615,"density_atomic":0.07745156593364298,"volume":258.2258958732364,"volume_molar":7.775363464128664,"formula_full":"Ca4 C4 O12","formula_reduced":"CaCO3","formula_anonymous":"ABC3","energy":-157.80138518,"energy_per_atom":-7.890069259000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.55738518,"band_gap":4.718299999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001962,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.571000Z","spacegroup":62},{"id":"mp-555958","created_at":"2022-09-04T14:40:32.634747Z","structure_string":"Ba8 Li12 P28 O84\n1.0\n8.713830 0.000000 0.000000\n0.000000 11.791901 0.000000\n0.000000 4.544619 17.676500\nBa Li P O\n8 12 28 84\ndirect\n0.555871 0.472590 0.181384 Ba\n0.944129 0.472590 0.681384 Ba\n0.444129 0.527410 0.818616 Ba\n0.931624 0.034556 0.803766 Ba\n0.568376 0.034556 0.303766 Ba\n0.068376 0.965444 0.196234 Ba\n0.055871 0.527410 0.318616 Ba\n0.431624 0.965444 0.696234 Ba\n0.646587 0.515844 0.535009 Li\n0.135353 0.001245 0.544679 Li\n0.353413 0.484156 0.464991 Li\n0.364647 0.001245 0.044679 Li\n0.146587 0.484156 0.964991 Li\n0.853413 0.515844 0.035009 Li\n0.864647 0.998755 0.455321 Li\n0.774541 0.364345 0.845311 Li\n0.635353 0.998755 0.955321 Li\n0.274541 0.635655 0.654689 Li\n0.225459 0.635655 0.154689 Li\n0.725459 0.364345 0.345311 Li\n0.059738 0.753786 0.744394 P\n0.836304 0.882150 0.637798 P\n0.903071 0.704444 0.113619 P\n0.120781 0.842710 0.000989 P\n0.106067 0.217245 0.613933 P\n0.940262 0.246214 0.255606 P\n0.363349 0.668982 0.991159 P\n0.393933 0.217245 0.113933 P\n0.663696 0.882150 0.137798 P\n0.143115 0.386796 0.137874 P\n0.879219 0.157290 0.999011 P\n0.379219 0.842710 0.500989 P\n0.636651 0.331018 0.008841 P\n0.403071 0.295556 0.386381 P\n0.606067 0.782755 0.886067 P\n0.163696 0.117850 0.362202 P\n0.336304 0.117850 0.862202 P\n0.863349 0.331018 0.508841 P\n0.596929 0.704444 0.613619 P\n0.440262 0.753786 0.244394 P\n0.356885 0.386796 0.637874 P\n0.096929 0.295556 0.886381 P\n0.620781 0.157290 0.499011 P\n0.136651 0.668982 0.491159 P\n0.643115 0.613204 0.362126 P\n0.559738 0.246214 0.755606 P\n0.893933 0.782755 0.386067 P\n0.856885 0.613204 0.862126 P\n0.314571 0.175554 0.389142 O\n0.635714 0.131332 0.759751 O\n0.848503 0.354813 0.256135 O\n0.518166 0.743416 0.966544 O\n0.293465 0.391414 0.391354 O\n0.786942 0.940572 0.698000 O\n0.795759 0.550303 0.805314 O\n0.481834 0.256584 0.033456 O\n0.841984 0.422457 0.552777 O\n0.133209 0.628243 0.575992 O\n0.805446 0.890868 0.387955 O\n0.704241 0.550303 0.305314 O\n0.685429 0.824446 0.610858 O\n0.814571 0.824446 0.110858 O\n0.935671 0.764304 0.676478 O\n0.018166 0.256584 0.533456 O\n0.158016 0.577543 0.447223 O\n0.482977 0.682929 0.678097 O\n0.194554 0.109132 0.612045 O\n0.633209 0.371757 0.924008 O\n0.981834 0.743416 0.466544 O\n0.694554 0.890868 0.887955 O\n0.305446 0.109132 0.112045 O\n0.048266 0.271324 0.180459 O\n0.658016 0.422457 0.052777 O\n0.082215 0.051183 0.432107 O\n0.994621 0.739063 0.035048 O\n0.494621 0.260937 0.464952 O\n0.651497 0.354813 0.756135 O\n0.017023 0.682929 0.178097 O\n0.286942 0.059428 0.802000 O\n0.364286 0.868668 0.240249 O\n0.706535 0.608586 0.608646 O\n0.206535 0.391414 0.891354 O\n0.417785 0.051183 0.932107 O\n0.435671 0.235696 0.823522 O\n0.549089 0.068986 0.561821 O\n0.502083 0.779242 0.821066 O\n0.950911 0.068986 0.061821 O\n0.799092 0.124171 0.934048 O\n0.497917 0.220758 0.178934 O\n0.700908 0.124171 0.434048 O\n0.185429 0.175554 0.889142 O\n0.917785 0.948817 0.567893 O\n0.366791 0.628243 0.075992 O\n0.765788 0.233796 0.038366 O\n0.718492 0.669037 0.899079 O\n0.299092 0.875829 0.565952 O\n0.982977 0.317071 0.821903 O\n0.234212 0.766204 0.961634 O\n0.451734 0.271324 0.680459 O\n0.135714 0.868668 0.740249 O\n0.713058 0.940572 0.198000 O\n0.218492 0.330963 0.600921 O\n0.002083 0.220758 0.678934 O\n0.341984 0.577543 0.947223 O\n0.951734 0.728676 0.819541 O\n0.734212 0.233796 0.538366 O\n0.554514 0.543686 0.428515 O\n0.997917 0.779242 0.321066 O\n0.049089 0.931014 0.938179 O\n0.445486 0.456314 0.571485 O\n0.213058 0.059428 0.302000 O\n0.945486 0.543686 0.928515 O\n0.054514 0.456314 0.071485 O\n0.450911 0.931014 0.438179 O\n0.548266 0.728676 0.319541 O\n0.281508 0.330963 0.100921 O\n0.564329 0.764304 0.176478 O\n0.582215 0.948817 0.067893 O\n0.866791 0.371757 0.424008 O\n0.793465 0.608586 0.108646 O\n0.517023 0.317071 0.321903 O\n0.151497 0.645187 0.743865 O\n0.204241 0.449697 0.194686 O\n0.295759 0.449697 0.694686 O\n0.348503 0.645187 0.243865 O\n0.265788 0.766204 0.461634 O\n0.200908 0.875829 0.065952 O\n0.505379 0.739063 0.535048 O\n0.064329 0.235696 0.323522 O\n0.864286 0.131332 0.259751 O\n0.781508 0.669037 0.399079 O\n0.005379 0.260937 0.964952 O\n","nsites":132,"nelements":4,"elements":["Ba","Li","P","O"],"chemical_system":"Ba-Li-O-P","density":3.1021265263827624,"density_atomic":0.07267495078119633,"volume":1816.3066996414564,"volume_molar":8.286405006493858,"formula_full":"Ba8 Li12 P28 O84","formula_reduced":"Ba2Li3(PO3)7","formula_anonymous":"A2B3C7D21","energy":-983.0118218,"energy_per_atom":-7.447059256060606,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-925.3038218,"band_gap":5.451099999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0112289,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.623000Z","spacegroup":14},{"id":"mp-1224496","created_at":"2022-09-04T14:40:32.687562Z","structure_string":"Hf4 Zn1 Ga11\n1.0\n3.965258 0.000000 0.000000\n0.000000 3.965258 0.000000\n0.000000 0.000000 17.429654\nHf Zn Ga\n4 1 11\ndirect\n0.500000 0.500000 0.381700 Hf\n0.000000 0.000000 0.882221 Hf\n0.000000 0.000000 0.118122 Hf\n0.500000 0.500000 0.619477 Hf\n0.500000 0.500000 0.127627 Zn\n0.500000 0.000000 0.002460 Ga\n0.000000 0.500000 0.500107 Ga\n0.000000 0.500000 0.002460 Ga\n0.500000 0.000000 0.500107 Ga\n0.000000 0.500000 0.246291 Ga\n0.500000 0.000000 0.750199 Ga\n0.500000 0.000000 0.246291 Ga\n0.000000 0.500000 0.750199 Ga\n0.000000 0.000000 0.624999 Ga\n0.000000 0.000000 0.371114 Ga\n0.500000 0.500000 0.876627 Ga\n","nsites":16,"nelements":3,"elements":["Hf","Zn","Ga"],"chemical_system":"Ga-Hf-Zn","density":9.369520512375898,"density_atomic":0.058383256681321584,"volume":274.0511733926422,"volume_molar":10.314842135085364,"formula_full":"Hf4 Zn1 Ga11","formula_reduced":"Hf4ZnGa11","formula_anonymous":"AB4C11","energy":-80.29202893,"energy_per_atom":-5.018251808125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.29202893,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.06823,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.648000Z","spacegroup":99},{"id":"mp-1518458","created_at":"2022-09-04T14:40:33.798662Z","structure_string":"Ba1 Sr1 Ce1 Ni1 O6\n1.0\n0.000000 -4.105825 -4.105825\n4.105825 0.000000 -4.105825\n4.105825 -4.105825 0.000000\nBa Sr Ce Ni O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.732122 0.267878 0.267878 O\n0.267878 0.732122 0.732122 O\n0.732122 0.267878 0.732122 O\n0.267878 0.732122 0.267878 O\n0.732122 0.732122 0.267878 O\n0.267878 0.267878 0.732122 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Ce","Ni","O"],"chemical_system":"Ba-Ce-Ni-O-Sr","density":6.234686707883809,"density_atomic":0.07223849676683311,"volume":138.4303445886668,"volume_molar":8.336470205682557,"formula_full":"Ba1 Sr1 Ce1 Ni1 O6","formula_reduced":"BaSrCeNiO6","formula_anonymous":"ABCDE6","energy":-71.37184219,"energy_per_atom":-7.137184219,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.70884219,"band_gap":1.1908,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.772000Z","spacegroup":216},{"id":"mp-3062","created_at":"2022-09-04T14:40:32.696910Z","structure_string":"Sm4 S3 N2\n1.0\n1.968544 6.643931 0.000000\n-1.968544 6.643931 0.000000\n0.000000 6.356581 7.930837\nSm S N\n4 3 2\ndirect\n0.243395 0.243395 0.647789 Sm\n0.756605 0.756605 0.352211 Sm\n0.563391 0.563391 0.144191 Sm\n0.436609 0.436609 0.855809 Sm\n0.000000 0.000000 0.000000 S\n0.829809 0.829809 0.781867 S\n0.170191 0.170191 0.218133 S\n0.354166 0.354166 0.360556 N\n0.645834 0.645834 0.639444 N\n","nsites":9,"nelements":3,"elements":["Sm","S","N"],"chemical_system":"N-S-Sm","density":5.808394157434063,"density_atomic":0.04338336651186134,"volume":207.4527802617469,"volume_molar":13.881220486550996,"formula_full":"Sm4 S3 N2","formula_reduced":"Sm4S3N2","formula_anonymous":"A2B3C4","energy":-67.01394110999999,"energy_per_atom":-7.445993456666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.78294111,"band_gap":1.3368000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.2e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:07.086000Z","spacegroup":12},{"id":"mp-1194840","created_at":"2022-09-04T14:40:37.343264Z","structure_string":"Na4 As4 W8 O36\n1.0\n5.000837 0.000000 0.000000\n0.000000 8.899819 0.000000\n0.000000 0.000000 16.859982\nNa As W O\n4 4 8 36\ndirect\n0.303530 0.515410 0.109034 Na\n0.196470 0.484590 0.609034 Na\n0.803530 0.984590 0.890966 Na\n0.696470 0.015410 0.390966 Na\n0.635563 0.229312 0.229343 As\n0.864437 0.770688 0.729343 As\n0.135563 0.270688 0.770657 As\n0.364437 0.729312 0.270657 As\n0.637228 0.618800 0.456007 W\n0.862772 0.381200 0.956007 W\n0.137228 0.881200 0.543993 W\n0.362772 0.118800 0.043993 W\n0.885006 0.892983 0.155627 W\n0.614994 0.107017 0.655627 W\n0.385006 0.607017 0.844373 W\n0.114994 0.392983 0.344373 W\n0.965189 0.247873 0.399444 O\n0.534811 0.752127 0.899444 O\n0.465189 0.252127 0.600556 O\n0.034811 0.747873 0.100556 O\n0.782243 0.503353 0.528339 O\n0.717757 0.496647 0.028339 O\n0.282243 0.996647 0.471661 O\n0.217757 0.003353 0.971661 O\n0.513300 0.271110 0.137933 O\n0.986700 0.728890 0.637933 O\n0.013300 0.228890 0.862067 O\n0.486700 0.771110 0.362067 O\n0.721133 0.045365 0.243940 O\n0.778867 0.954635 0.743940 O\n0.221133 0.454635 0.756060 O\n0.278867 0.545365 0.256060 O\n0.905112 0.348254 0.244079 O\n0.594888 0.651746 0.744079 O\n0.405112 0.151746 0.755921 O\n0.094888 0.848254 0.255921 O\n0.404561 0.254809 0.304406 O\n0.095439 0.745191 0.804406 O\n0.904561 0.245191 0.695594 O\n0.595439 0.754809 0.195594 O\n0.866483 0.550439 0.369366 O\n0.633517 0.449561 0.869366 O\n0.366483 0.949561 0.630634 O\n0.133517 0.050439 0.130634 O\n0.855454 0.795126 0.475798 O\n0.644546 0.204874 0.975798 O\n0.355454 0.704874 0.524202 O\n0.144546 0.295126 0.024202 O\n0.363106 0.476432 0.418472 O\n0.136894 0.523568 0.918472 O\n0.863106 0.023568 0.581528 O\n0.636894 0.976432 0.081528 O\n","nsites":52,"nelements":4,"elements":["Na","As","W","O"],"chemical_system":"As-Na-O-W","density":5.395889795069054,"density_atomic":0.06929826534106835,"volume":750.3795332259659,"volume_molar":8.690175331749739,"formula_full":"Na4 As4 W8 O36","formula_reduced":"NaAsW2O9","formula_anonymous":"ABC2D9","energy":-413.25349638,"energy_per_atom":-7.947182622692308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-353.01749638,"band_gap":2.4161,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001376,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.095000Z","spacegroup":19}]}