{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=74","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nelements&page=72","results":[{"id":"mp-1245173","created_at":"2022-09-04T14:41:08.867549Z","structure_string":"Al40 O60\n1.0\n9.871488 0.264343 -0.402367\n0.262328 9.971027 -0.103559\n-0.401943 -0.118546 11.316575\nAl O\n40 60\ndirect\n0.273819 0.620851 0.341159 Al\n0.610364 0.961417 0.960964 Al\n0.932204 0.680837 0.672251 Al\n0.171021 0.369120 0.922693 Al\n0.318878 0.933170 0.916451 Al\n0.846781 0.172902 0.613708 Al\n0.281901 0.249735 0.641914 Al\n0.857099 0.039868 0.080600 Al\n0.320820 0.887399 0.205350 Al\n0.012859 0.414956 0.556939 Al\n0.889724 0.533674 0.027191 Al\n0.670993 0.294028 0.962507 Al\n0.768828 0.309994 0.387424 Al\n0.486183 0.803332 0.653121 Al\n0.039461 0.924045 0.760410 Al\n0.915810 0.309562 0.153298 Al\n0.878676 0.409765 0.785298 Al\n0.978359 0.103914 0.339902 Al\n0.545970 0.001106 0.304138 Al\n0.397967 0.184700 0.060856 Al\n0.496815 0.272478 0.289134 Al\n0.868804 0.797967 0.939212 Al\n0.714361 0.800158 0.476584 Al\n0.027166 0.810976 0.460686 Al\n0.216815 0.696312 0.608887 Al\n0.275592 0.968293 0.482535 Al\n0.721112 0.984796 0.705168 Al\n0.415599 0.452844 0.074381 Al\n0.600171 0.573269 0.285080 Al\n0.665906 0.563439 0.805265 Al\n0.175349 0.674133 0.049736 Al\n0.574284 0.538267 0.515946 Al\n0.398849 0.699439 0.861811 Al\n0.216590 0.314667 0.378275 Al\n0.106505 0.071759 0.002282 Al\n0.991433 0.545111 0.316667 Al\n0.388357 0.452341 0.758546 Al\n0.817990 0.825219 0.238580 Al\n0.585891 0.738571 0.104846 Al\n0.541260 0.239330 0.534246 Al\n0.498378 0.858098 0.195879 O\n0.219960 0.219410 0.997002 O\n0.878968 0.782493 0.544610 O\n0.561155 0.626625 0.658914 O\n0.995651 0.427067 0.909661 O\n0.939412 0.313688 0.667621 O\n0.326561 0.092044 0.587753 O\n0.713013 0.376046 0.826101 O\n0.911994 0.977680 0.229060 O\n0.497497 0.588305 0.140042 O\n0.446757 0.051303 0.953024 O\n0.092493 0.969117 0.428944 O\n0.671163 0.145028 0.641040 O\n0.659383 0.374654 0.519177 O\n0.629979 0.877539 0.598826 O\n0.499379 0.541088 0.866096 O\n0.995117 0.682503 0.033350 O\n0.708299 0.119763 0.995791 O\n0.817075 0.561984 0.715158 O\n0.371053 0.338431 0.177868 O\n0.783893 0.388751 0.052232 O\n0.897926 0.029465 0.700236 O\n0.243629 0.722032 0.204281 O\n0.494691 0.318905 0.988935 O\n0.706140 0.907518 0.839132 O\n0.402118 0.853350 0.779581 O\n0.674386 0.637779 0.432374 O\n0.169479 0.481732 0.329079 O\n0.164981 0.323894 0.532742 O\n0.259497 0.760996 0.943437 O\n0.503656 0.123326 0.189560 O\n0.250513 0.507674 0.003915 O\n0.911377 0.443294 0.420477 O\n0.061331 0.568849 0.624421 O\n0.951746 0.781063 0.800956 O\n0.168862 0.689304 0.452218 O\n0.840909 0.226770 0.261534 O\n0.443600 0.574995 0.389279 O\n0.246063 0.976677 0.081632 O\n0.766189 0.637623 0.932452 O\n0.949506 0.724922 0.325306 O\n0.110426 0.204757 0.303568 O\n0.160321 0.011183 0.851986 O\n0.441547 0.335988 0.648504 O\n0.882573 0.174073 0.467368 O\n0.363739 0.967842 0.348314 O\n0.702898 0.899626 0.350347 O\n0.630987 0.395010 0.291534 O\n0.307485 0.611650 0.726870 O\n0.349900 0.811617 0.548353 O\n0.105976 0.835405 0.637306 O\n0.962175 0.950097 0.978790 O\n0.970065 0.477068 0.171426 O\n0.520413 0.792449 0.965906 O\n0.249676 0.344135 0.783042 O\n0.976509 0.174348 0.067494 O\n0.721202 0.671631 0.204653 O\n0.599253 0.151401 0.398526 O\n0.393374 0.292833 0.415588 O\n0.744582 0.875321 0.074244 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.046847536341567,"density_atomic":0.08997800561313975,"volume":1111.3827131260255,"volume_molar":6.692903136675626,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-773.96072967,"energy_per_atom":-7.7396072967,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-732.74072967,"band_gap":3.8149,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030954,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.870000Z","spacegroup":1},{"id":"mp-22317","created_at":"2022-09-04T14:41:08.469973Z","structure_string":"Eu2 Ga4\n1.0\n-2.316011 3.790922 3.838452\n2.316011 -3.790922 3.838452\n2.316011 3.790922 -3.838452\nEu Ga\n2 4\ndirect\n0.703869 0.953869 0.750000 Eu\n0.296131 0.046131 0.250000 Eu\n0.098163 0.661438 0.436725 Ga\n0.901837 0.338562 0.563275 Ga\n0.724713 0.661438 0.063275 Ga\n0.275287 0.338562 0.936725 Ga\n","nsites":6,"nelements":2,"elements":["Eu","Ga"],"chemical_system":"Eu-Ga","density":7.179297861516332,"density_atomic":0.04450918873232835,"volume":134.80362529371428,"volume_molar":13.530106774617394,"formula_full":"Eu2 Ga4","formula_reduced":"EuGa2","formula_anonymous":"AB2","energy":-36.11367861,"energy_per_atom":-6.018946435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.11367861,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0684637,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.790000Z","spacegroup":74},{"id":"mp-560190","created_at":"2022-09-04T14:41:10.726511Z","structure_string":"Mo32 O92\n1.0\n8.137580 0.000000 0.000000\n0.000000 13.713239 0.000000\n0.000000 4.888075 16.652675\nMo O\n32 92\ndirect\n0.792103 0.445663 0.596841 Mo\n0.791426 0.316083 0.420294 Mo\n0.291825 0.554706 0.902756 Mo\n0.287808 0.814999 0.745095 Mo\n0.712603 0.064481 0.581106 Mo\n0.708175 0.445294 0.097244 Mo\n0.210860 0.933727 0.917175 Mo\n0.207897 0.445663 0.096841 Mo\n0.786082 0.183845 0.753243 Mo\n0.789140 0.933727 0.417175 Mo\n0.711033 0.315502 0.919089 Mo\n0.792103 0.554337 0.903159 Mo\n0.287397 0.064481 0.081106 Mo\n0.288967 0.315502 0.419089 Mo\n0.208574 0.683917 0.579706 Mo\n0.208574 0.316083 0.920294 Mo\n0.287397 0.935519 0.418894 Mo\n0.288967 0.684498 0.080911 Mo\n0.712192 0.814999 0.245095 Mo\n0.213918 0.816155 0.246757 Mo\n0.207897 0.554337 0.403159 Mo\n0.213918 0.183845 0.253243 Mo\n0.287808 0.185001 0.754905 Mo\n0.291825 0.445294 0.597244 Mo\n0.712603 0.935519 0.918894 Mo\n0.711033 0.684498 0.580911 Mo\n0.712192 0.185001 0.254905 Mo\n0.791426 0.683917 0.079706 Mo\n0.789140 0.066273 0.082825 Mo\n0.786082 0.816155 0.746757 Mo\n0.210860 0.066273 0.582825 Mo\n0.708175 0.554706 0.402756 Mo\n0.760040 0.542842 0.652082 O\n0.498931 0.801919 0.240125 O\n0.243660 0.066463 0.334471 O\n0.249929 0.067235 0.835172 O\n0.756340 0.933537 0.665529 O\n0.233307 0.000684 0.499739 O\n0.745778 0.411171 0.495532 O\n0.230328 0.264131 0.834944 O\n0.230328 0.735869 0.665056 O\n0.755096 0.262967 0.835675 O\n0.497845 0.940315 0.919644 O\n0.766693 0.000684 0.999739 O\n0.004089 0.679481 0.071737 O\n0.251135 0.542408 0.651811 O\n0.502790 0.679370 0.083402 O\n0.249929 0.932765 0.664828 O\n0.254586 0.326418 0.672896 O\n0.744912 0.200998 0.003294 O\n0.502155 0.940315 0.419644 O\n0.745414 0.326418 0.172896 O\n0.999327 0.189695 0.248122 O\n0.769672 0.735869 0.165056 O\n0.750071 0.067235 0.335172 O\n0.255088 0.200998 0.503294 O\n0.254222 0.588829 0.504468 O\n0.244904 0.262967 0.335675 O\n0.744912 0.799002 0.496706 O\n0.239960 0.542842 0.152082 O\n0.002205 0.925961 0.409861 O\n0.745414 0.673582 0.327104 O\n0.002205 0.074039 0.090139 O\n0.254377 0.799391 0.497720 O\n0.730214 0.869102 0.329413 O\n0.755579 0.327242 0.673246 O\n0.497210 0.320630 0.916598 O\n0.244421 0.327242 0.173246 O\n0.000673 0.189695 0.748122 O\n0.255088 0.799002 0.996706 O\n0.251135 0.457592 0.848189 O\n0.760040 0.457158 0.847918 O\n0.755096 0.737033 0.664325 O\n0.233307 0.999316 0.000261 O\n0.769672 0.264131 0.334944 O\n0.493000 0.447254 0.095114 O\n0.745778 0.588829 0.004468 O\n0.507000 0.447254 0.595114 O\n0.501069 0.198081 0.759875 O\n0.736824 0.868085 0.830080 O\n0.256775 0.411377 0.495128 O\n0.493000 0.552746 0.404886 O\n0.750071 0.932765 0.164828 O\n0.997795 0.925961 0.909861 O\n0.730214 0.130898 0.170587 O\n0.502790 0.320630 0.416598 O\n0.501069 0.801919 0.740125 O\n0.745623 0.200609 0.502280 O\n0.748865 0.542408 0.151811 O\n0.006452 0.445783 0.590425 O\n0.497210 0.679370 0.583402 O\n0.743225 0.411377 0.995128 O\n0.995911 0.679481 0.571737 O\n0.766693 0.999316 0.500261 O\n0.256775 0.588623 0.004872 O\n0.269786 0.869102 0.829413 O\n0.756340 0.066463 0.834471 O\n0.254586 0.673582 0.827104 O\n0.745623 0.799391 0.997720 O\n0.254222 0.411171 0.995532 O\n0.502155 0.059685 0.080356 O\n0.263176 0.868085 0.330080 O\n0.244421 0.672758 0.326754 O\n0.755579 0.672758 0.826754 O\n0.743225 0.588623 0.504872 O\n0.995911 0.320519 0.928263 O\n0.254377 0.200609 0.002280 O\n0.000673 0.810305 0.751878 O\n0.999327 0.810305 0.251878 O\n0.498931 0.198081 0.259875 O\n0.006452 0.554217 0.909575 O\n0.004089 0.320519 0.428263 O\n0.993548 0.554217 0.409575 O\n0.243660 0.933537 0.165529 O\n0.269786 0.130898 0.670587 O\n0.997795 0.074039 0.590139 O\n0.748865 0.457592 0.348189 O\n0.244904 0.737033 0.164325 O\n0.263176 0.131915 0.169920 O\n0.736824 0.131915 0.669920 O\n0.993548 0.445783 0.090425 O\n0.239960 0.457158 0.347918 O\n0.507000 0.552746 0.904886 O\n0.497845 0.059685 0.580356 O\n","nsites":124,"nelements":2,"elements":["Mo","O"],"chemical_system":"Mo-O","density":4.0586282703830525,"density_atomic":0.0667271172188638,"volume":1858.3149575199257,"volume_molar":9.025027621450334,"formula_full":"Mo32 O92","formula_reduced":"Mo8O23","formula_anonymous":"A8B23","energy":-1042.24044624,"energy_per_atom":-8.405164889032259,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-876.57244624,"band_gap":0.9108,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0114285,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.304000Z","spacegroup":13},{"id":"mp-11471","created_at":"2022-09-04T14:41:10.753821Z","structure_string":"Sc1 Hg1\n1.0\n3.528488 0.000000 0.000000\n0.000000 3.528488 0.000000\n0.000000 0.000000 3.528488\nSc Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Sc","Hg"],"chemical_system":"Hg-Sc","density":9.281450893418409,"density_atomic":0.045526478776408426,"volume":43.930478564408304,"volume_molar":13.227776278451477,"formula_full":"Sc1 Hg1","formula_reduced":"ScHg","formula_anonymous":"AB","energy":-7.49519638,"energy_per_atom":-3.74759819,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.49519638,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000609,"is_theoretical":false,"updated_at":"2021-11-28T01:35:16.003000Z","spacegroup":221},{"id":"mp-1184438","created_at":"2022-09-04T14:41:08.468426Z","structure_string":"Eu3 Mo1\n1.0\n-2.732121 2.732121 4.178745\n2.732121 -2.732121 4.178745\n2.732121 2.732121 -4.178745\nEu Mo\n3 1\ndirect\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 Eu\n0.499999 0.499999 0.000000 Eu\n0.000000 0.000000 0.000000 Mo\n","nsites":4,"nelements":2,"elements":["Eu","Mo"],"chemical_system":"Eu-Mo","density":7.344297458481429,"density_atomic":0.03205931739628714,"volume":124.76872013698112,"volume_molar":18.78436987774867,"formula_full":"Eu3 Mo1","formula_reduced":"Eu3Mo","formula_anonymous":"AB3","energy":-38.85757964,"energy_per_atom":-9.71439491,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.85757964,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.1290201,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.574000Z","spacegroup":139},{"id":"mp-1094319","created_at":"2022-09-04T14:41:08.466343Z","structure_string":"Mg4 Ti2\n1.0\n2.660675 -4.608424 0.000000\n2.660675 4.608424 0.000000\n0.000000 0.000000 5.085433\nMg Ti\n4 2\ndirect\n0.657449 0.000000 0.000000 Mg\n0.342551 0.342551 0.000000 Mg\n0.000000 0.657449 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Ti\n0.333333 0.666667 0.500000 Ti\n","nsites":6,"nelements":2,"elements":["Mg","Ti"],"chemical_system":"Mg-Ti","density":2.5692164398495807,"density_atomic":0.048111517923527164,"volume":124.71026188649769,"volume_molar":12.517045854949204,"formula_full":"Mg4 Ti2","formula_reduced":"Mg2Ti","formula_anonymous":"AB2","energy":-21.01396537,"energy_per_atom":-3.5023275616666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.01396537,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9546012,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.488000Z","spacegroup":189},{"id":"mp-1244965","created_at":"2022-09-04T14:41:04.440183Z","structure_string":"Si34 O68\n1.0\n10.785528 0.083096 -0.242113\n0.091653 12.222649 0.115544\n-0.271066 0.100557 12.474041\nSi O\n34 68\ndirect\n0.732468 0.340166 0.471992 Si\n0.446811 0.197273 0.206270 Si\n0.998120 0.717203 0.707803 Si\n0.259501 0.590498 0.711762 Si\n0.248814 0.498936 0.025025 Si\n0.858061 0.670832 0.392066 Si\n0.136493 0.997932 0.026841 Si\n0.198464 0.337745 0.758997 Si\n0.650795 0.371974 0.229832 Si\n0.000391 0.182351 0.155993 Si\n0.765034 0.593207 0.751690 Si\n0.122741 0.718876 0.400293 Si\n0.673131 0.695363 0.950574 Si\n0.944063 0.290478 0.636294 Si\n0.711144 0.930554 0.000590 Si\n0.601143 0.854915 0.198512 Si\n0.014495 0.434549 0.075579 Si\n0.501488 0.995004 0.373905 Si\n0.373398 0.884522 0.029443 Si\n0.708829 0.624078 0.184909 Si\n0.616901 0.123319 0.569398 Si\n0.391576 0.675729 0.528451 Si\n0.232201 0.339775 0.187848 Si\n0.948600 0.860246 0.489143 Si\n0.468232 0.236396 0.743563 Si\n0.324331 0.885828 0.521347 Si\n0.883984 0.050171 0.629605 Si\n0.401111 0.660382 0.904051 Si\n0.158624 0.558530 0.219954 Si\n0.643165 0.568093 0.527955 Si\n0.493212 0.098683 0.968329 Si\n0.723806 0.345112 0.796064 Si\n0.797538 0.296783 0.031629 Si\n0.948689 0.916303 0.850395 Si\n0.735306 0.070677 0.638129 O\n0.070869 0.843918 0.413080 O\n0.478581 0.096977 0.289160 O\n0.921134 0.988118 0.743867 O\n0.329044 0.580357 0.597855 O\n0.079800 0.339363 0.663614 O\n0.583867 0.324580 0.746920 O\n0.103921 0.479076 0.984178 O\n0.962497 0.159799 0.619122 O\n0.082713 0.314339 0.135498 O\n0.360454 0.667352 0.778664 O\n0.634485 0.044103 0.973496 O\n0.298113 0.226283 0.225032 O\n0.893796 0.195138 0.057916 O\n0.642738 0.435901 0.520250 O\n0.167188 0.284222 0.868906 O\n0.745630 0.475847 0.809552 O\n0.469202 0.880044 0.131777 O\n0.750890 0.684686 0.843871 O\n0.222969 0.935799 0.588591 O\n0.507148 0.149874 0.650677 O\n0.216852 0.440508 0.272994 O\n0.904008 0.613440 0.710500 O\n0.302735 0.386102 0.083650 O\n0.877443 0.410508 0.032552 O\n0.100475 0.094103 0.100131 O\n0.019803 0.521205 0.173952 O\n0.568362 0.032610 0.484784 O\n0.158112 0.670091 0.285363 O\n0.838082 0.300716 0.727934 O\n0.233993 0.911105 0.077736 O\n0.644121 0.504487 0.200788 O\n0.704393 0.307602 0.128427 O\n0.716735 0.908268 0.132143 O\n0.472460 0.175710 0.863412 O\n0.729276 0.285948 0.915521 O\n0.964061 0.791498 0.602043 O\n0.136340 0.668713 0.698747 O\n0.984676 0.791975 0.816713 O\n0.839313 0.802010 0.413601 O\n0.545030 0.631004 0.932539 O\n0.844898 0.927003 0.942979 O\n0.395213 0.995160 0.957002 O\n0.469156 0.160521 0.082401 O\n0.610620 0.722001 0.211793 O\n0.761823 0.605207 0.462301 O\n0.430963 0.796627 0.572620 O\n0.360010 0.772685 0.963417 O\n0.746517 0.646190 0.059506 O\n0.661464 0.608604 0.651966 O\n0.072250 0.967586 0.916283 O\n0.830463 0.639685 0.266217 O\n0.005055 0.639489 0.430627 O\n0.337467 0.547847 0.940854 O\n0.264960 0.727874 0.457352 O\n0.591708 0.907768 0.315595 O\n0.242803 0.591046 0.119533 O\n0.975028 0.166189 0.274943 O\n0.512334 0.620800 0.474691 O\n0.333672 0.288998 0.710754 O\n0.229096 0.472697 0.757780 O\n0.873358 0.344940 0.526135 O\n0.516676 0.311097 0.240410 O\n0.910396 0.982305 0.520836 O\n0.372687 0.936018 0.407563 O\n0.634097 0.825220 0.955701 O\n0.662313 0.227422 0.499368 O\n0.734148 0.356471 0.341091 O\n","nsites":102,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.064174933828624,"density_atomic":0.062066556533447836,"volume":1643.3971158852985,"volume_molar":9.702714467097353,"formula_full":"Si34 O68","formula_reduced":"SiO2","formula_anonymous":"AB2","energy":-836.04694636,"energy_per_atom":-8.196538689803921,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-789.33094636,"band_gap":1.6018,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.352000Z","spacegroup":1},{"id":"mp-1094907","created_at":"2022-09-04T14:41:04.435780Z","structure_string":"Mg4 Cd2\n1.0\n5.454175 -2.706137 0.000000\n5.454175 2.706137 0.000000\n4.111502 0.000000 4.490741\nMg Cd\n4 2\ndirect\n0.000000 0.667813 0.332187 Mg\n0.667813 0.332187 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.332187 0.000000 0.667813 Mg\n0.834172 0.834172 0.834172 Cd\n0.165828 0.165828 0.165828 Cd\n","nsites":6,"nelements":2,"elements":["Mg","Cd"],"chemical_system":"Cd-Mg","density":4.03398947773051,"density_atomic":0.045261026451793085,"volume":132.56438199408757,"volume_molar":13.305356135513414,"formula_full":"Mg4 Cd2","formula_reduced":"Mg2Cd","formula_anonymous":"AB2","energy":-8.61505959,"energy_per_atom":-1.435843265,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.61505959,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002682,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.502000Z","spacegroup":155},{"id":"mp-978280","created_at":"2022-09-04T14:41:04.435000Z","structure_string":"Mg3 Ga1\n1.0\n-2.183014 2.183014 4.365708\n2.183014 -2.183014 4.365708\n2.183014 2.183014 -4.365708\nMg Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":2,"elements":["Mg","Ga"],"chemical_system":"Ga-Mg","density":2.846142368998619,"density_atomic":0.04806536820491796,"volume":83.22000120641388,"volume_molar":12.529064032809854,"formula_full":"Mg3 Ga1","formula_reduced":"Mg3Ga","formula_anonymous":"AB3","energy":-8.1025905,"energy_per_atom":-2.025647625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.1025905,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0065241,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.736000Z","spacegroup":139},{"id":"mp-343","created_at":"2022-09-04T14:41:04.478189Z","structure_string":"Pr1 N1\n1.0\n0.000000 2.610562 2.610562\n2.610562 0.000000 2.610562\n2.610562 2.610562 0.000000\nPr N\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 N\n","nsites":2,"nelements":2,"elements":["Pr","N"],"chemical_system":"N-Pr","density":7.229507537404175,"density_atomic":0.05620797819023791,"volume":35.582137347672045,"volume_molar":10.714031982466706,"formula_full":"Pr1 N1","formula_reduced":"PrN","formula_anonymous":"AB","energy":-16.0451585,"energy_per_atom":-8.02257925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.6841585,"band_gap":0.3471999999999995,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001199,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.297000Z","spacegroup":225},{"id":"mp-30434","created_at":"2022-09-04T14:41:04.425967Z","structure_string":"Ba2 Tl4\n1.0\n2.688261 -4.656204 0.000000\n2.688261 4.656204 0.000000\n0.000000 0.000000 8.679413\nBa Tl\n2 4\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.454008 Tl\n0.666667 0.333333 0.954008 Tl\n0.666667 0.333333 0.545992 Tl\n0.333333 0.666667 0.045992 Tl\n","nsites":6,"nelements":2,"elements":["Ba","Tl"],"chemical_system":"Ba-Tl","density":8.346845962563386,"density_atomic":0.027613882293785478,"volume":217.28201547923248,"volume_molar":21.80838136387395,"formula_full":"Ba2 Tl4","formula_reduced":"BaTl2","formula_anonymous":"AB2","energy":-15.63434327,"energy_per_atom":-2.6057238783333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.63434327,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001164,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.901000Z","spacegroup":194},{"id":"mp-1080356","created_at":"2022-09-04T14:41:03.814602Z","structure_string":"Ce18 Se36\n1.0\n11.333869 0.000000 14.882213\n11.333869 0.000000 -14.882213\n-11.333869 15.196551 -0.000000\nCe Se\n18 36\ndirect\n0.322693 0.073903 0.622042 Ce\n0.451861 0.700651 0.377958 Ce\n0.299349 0.548139 0.622042 Ce\n0.926097 0.677307 0.377958 Ce\n0.677307 0.926097 0.377958 Ce\n0.548139 0.299349 0.622042 Ce\n0.700651 0.451861 0.377958 Ce\n0.073903 0.322693 0.622042 Ce\n0.215741 0.215741 0.821244 Ce\n0.394497 0.394497 0.178756 Ce\n0.605503 0.605503 0.821244 Ce\n0.784259 0.784259 0.178756 Ce\n0.074376 0.074376 0.371365 Ce\n0.703011 0.703011 0.628635 Ce\n0.296989 0.296989 0.371365 Ce\n0.925624 0.925624 0.628635 Ce\n0.250000 0.750000 0.500000 Ce\n0.750000 0.250000 0.500000 Ce\n0.319778 0.923105 0.608883 Se\n0.314222 0.710896 0.391117 Se\n0.289104 0.685778 0.608883 Se\n0.076895 0.680222 0.391117 Se\n0.680222 0.076895 0.391117 Se\n0.685778 0.289104 0.608883 Se\n0.710896 0.314222 0.391117 Se\n0.923105 0.319778 0.608883 Se\n0.183960 0.035299 0.472253 Se\n0.563046 0.711707 0.527747 Se\n0.288293 0.436954 0.472253 Se\n0.964701 0.816040 0.527747 Se\n0.816040 0.964701 0.527747 Se\n0.436954 0.288293 0.472253 Se\n0.711707 0.563046 0.527747 Se\n0.035299 0.183960 0.472253 Se\n0.322074 0.170301 0.769176 Se\n0.401125 0.552898 0.230824 Se\n0.447102 0.598875 0.769176 Se\n0.829699 0.677926 0.230824 Se\n0.677926 0.829699 0.230824 Se\n0.598875 0.447102 0.769176 Se\n0.552898 0.401125 0.230824 Se\n0.170301 0.322074 0.769176 Se\n0.474567 0.168949 0.643516 Se\n0.525433 0.831051 0.356484 Se\n0.168949 0.474567 0.643516 Se\n0.831051 0.525433 0.356484 Se\n0.926987 0.926987 0.235519 Se\n0.691468 0.691468 0.764481 Se\n0.308532 0.308532 0.235519 Se\n0.073013 0.073013 0.764481 Se\n0.311177 0.311177 -0.000000 Se\n0.688823 0.688823 -0.000000 Se\n0.153715 0.153715 0.307431 Se\n0.846285 0.846285 0.692569 Se\n","nsites":54,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":1.7376791747010354,"density_atomic":0.01053350795479733,"volume":5126.497291475106,"volume_molar":57.171274620410806,"formula_full":"Ce18 Se36","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-308.09054131,"energy_per_atom":-5.705380394629629,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.09854131,"band_gap":0.9451999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.127000Z","spacegroup":69}]}