{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10238","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_magnetic&page=10236","results":[{"id":"mp-1093778","created_at":"2022-09-04T14:41:06.706516Z","structure_string":"Y1 Al1 Pd2\n1.0\n-4.827142 5.911042 8.357205\n4.827142 -5.911042 8.357205\n4.827142 5.911042 -8.357205\nY Al Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.247719 0.247719 Pd\n0.000000 0.752281 0.752281 Pd\n","nsites":4,"nelements":3,"elements":["Y","Al","Pd"],"chemical_system":"Al-Pd-Y","density":0.5722816499800416,"density_atomic":0.004193578960868915,"volume":953.8391997205163,"volume_molar":143.60384807806753,"formula_full":"Y1 Al1 Pd2","formula_reduced":"YAlPd2","formula_anonymous":"ABC2","energy":-15.15306718,"energy_per_atom":-3.788266795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.15306718,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1083678,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.060000Z","spacegroup":71},{"id":"mp-1026725","created_at":"2022-09-04T14:41:06.709202Z","structure_string":"La1 Mg14 Sb1\n1.0\n6.573369 0.059515 0.000000\n-3.235143 5.603432 0.000000\n0.000000 0.000000 10.488554\nLa Mg Sb\n1 14 1\ndirect\n0.166171 0.333085 0.125000 La\n0.165799 0.332899 0.625000 Mg\n0.164709 0.832354 0.625000 Mg\n0.665581 0.328719 0.125000 Mg\n0.666599 0.334332 0.625000 Mg\n0.665581 0.836861 0.125000 Mg\n0.666599 0.832266 0.625000 Mg\n0.337429 0.166352 0.384110 Mg\n0.337429 0.166352 0.865890 Mg\n0.337429 0.671077 0.384110 Mg\n0.337429 0.671077 0.865890 Mg\n0.827667 0.163834 0.382371 Mg\n0.827667 0.163834 0.867629 Mg\n0.831047 0.665524 0.373852 Mg\n0.831047 0.665524 0.876148 Mg\n0.171818 0.835908 0.125000 Sb\n","nsites":16,"nelements":3,"elements":["La","Mg","Sb"],"chemical_system":"La-Mg-Sb","density":2.569537279301823,"density_atomic":0.04120007145358363,"volume":388.3488410457187,"volume_molar":14.616821154751149,"formula_full":"La1 Mg14 Sb1","formula_reduced":"LaMg14Sb","formula_anonymous":"ABC14","energy":-32.70237048,"energy_per_atom":-2.043898155,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.51037048,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.96e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.480000Z","spacegroup":38},{"id":"mp-1228792","created_at":"2022-09-04T14:41:06.711823Z","structure_string":"As4 P4 Pt4\n1.0\n5.910585 0.000000 0.000000\n0.000000 5.910585 0.000000\n0.000000 0.000000 5.910585\nAs P Pt\n4 4 4\ndirect\n0.112857 0.887143 0.387143 As\n0.887143 0.387143 0.112857 As\n0.387143 0.112857 0.887143 As\n0.612857 0.612857 0.612857 As\n0.885396 0.114604 0.614604 P\n0.114604 0.614604 0.885396 P\n0.614604 0.885396 0.114604 P\n0.385396 0.385396 0.385396 P\n0.490859 0.509141 0.009141 Pt\n0.509141 0.009141 0.490859 Pt\n0.009141 0.490859 0.509141 Pt\n0.990859 0.990859 0.990859 Pt\n","nsites":12,"nelements":3,"elements":["As","P","Pt"],"chemical_system":"As-P-Pt","density":9.681762037872932,"density_atomic":0.05811521437510807,"volume":206.4863758833495,"volume_molar":10.362416838265,"formula_full":"As4 P4 Pt4","formula_reduced":"AsPPt","formula_anonymous":"ABC","energy":-71.57002727,"energy_per_atom":-5.964168939166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.57002727,"band_gap":0.7984,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.287000Z","spacegroup":198},{"id":"mp-645740","created_at":"2022-09-04T14:41:06.717709Z","structure_string":"Sn4 S4 O16\n1.0\n5.159426 0.000000 0.000000\n-0.734304 7.371542 0.000000\n-0.185958 -1.727478 10.522094\nSn S O\n4 4 16\ndirect\n0.289821 0.274830 0.142860 Sn\n0.710179 0.725170 0.857140 Sn\n0.304232 0.299154 0.636962 Sn\n0.695768 0.700846 0.363038 Sn\n0.212540 0.771807 0.082284 S\n0.750651 0.185698 0.407951 S\n0.249349 0.814302 0.592049 S\n0.787460 0.228193 0.917716 S\n0.152066 0.738735 0.702894 O\n0.313640 0.969344 0.115373 O\n0.465564 0.703520 0.538985 O\n0.955597 0.195896 0.509362 O\n0.686360 0.030656 0.884627 O\n0.355503 0.683250 0.971771 O\n0.759308 0.324176 0.808041 O\n0.364704 0.009363 0.629391 O\n0.847934 0.261265 0.297106 O\n0.044403 0.804104 0.490638 O\n0.635296 0.990637 0.370609 O\n0.534436 0.296480 0.461015 O\n0.240692 0.675824 0.191959 O\n0.072960 0.243399 0.956156 O\n0.927040 0.756601 0.043844 O\n0.644497 0.316750 0.028229 O\n","nsites":24,"nelements":3,"elements":["Sn","S","O"],"chemical_system":"O-S-Sn","density":3.5647251810365623,"density_atomic":0.059972110460097684,"volume":400.1860167313663,"volume_molar":10.041568845583344,"formula_full":"Sn4 S4 O16","formula_reduced":"SnSO4","formula_anonymous":"ABC4","energy":-155.2056452,"energy_per_atom":-6.466901883333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.2136452,"band_gap":3.4783,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010515,"is_theoretical":false,"updated_at":"2021-11-28T01:35:01.539000Z","spacegroup":2},{"id":"mp-1224789","created_at":"2022-09-04T14:41:06.721722Z","structure_string":"Ga2 As1 P1\n1.0\n6.585316 -1.987866 0.000000\n6.585316 1.987866 0.000000\n5.985252 0.000000 3.390392\nGa As P\n2 1 1\ndirect\n0.997592 0.997592 0.997592 Ga\n0.502452 0.502452 0.502452 Ga\n0.125022 0.125022 0.125022 As\n0.624934 0.624934 0.624934 P\n","nsites":4,"nelements":3,"elements":["Ga","As","P"],"chemical_system":"As-Ga-P","density":4.589614762079917,"density_atomic":0.04506261140096014,"volume":88.76538388795578,"volume_molar":13.363940909717645,"formula_full":"Ga2 As1 P1","formula_reduced":"Ga2AsP","formula_anonymous":"ABC2","energy":-17.58755857,"energy_per_atom":-4.3968896425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.58755857,"band_gap":0.7805,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0010383,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.661000Z","spacegroup":160},{"id":"mp-1195523","created_at":"2022-09-04T14:41:14.300952Z","structure_string":"Tb4 H40 C24 S24 N12 O68 F72\n1.0\n-13.217928 0.000000 1.008404\n0.021416 0.000000 -13.227814\n0.000000 -18.788867 0.000000\nTb H C S N O F\n4 40 24 24 12 68 72\ndirect\n0.151366 0.212595 0.253839 Tb\n0.651366 0.712595 0.246161 Tb\n0.848634 0.787405 0.746161 Tb\n0.348634 0.287405 0.753839 Tb\n0.347439 0.104584 0.232108 H\n0.847439 0.604584 0.267892 H\n0.652561 0.895416 0.767892 H\n0.152561 0.395416 0.732108 H\n0.363075 0.218750 0.204089 H\n0.863075 0.718750 0.295911 H\n0.636925 0.781250 0.795911 H\n0.136925 0.281250 0.704089 H\n0.106178 0.189706 0.413755 H\n0.606178 0.689706 0.086245 H\n0.893822 0.810294 0.586245 H\n0.393822 0.310294 0.913755 H\n0.214108 0.247389 0.405611 H\n0.714108 0.747389 0.094389 H\n0.785892 0.752611 0.594389 H\n0.285892 0.252611 0.905611 H\n0.180230 0.987221 0.253064 H\n0.680230 0.487221 0.246936 H\n0.819770 0.012779 0.746936 H\n0.319770 0.512779 0.753064 H\n0.127718 0.009586 0.327596 H\n0.627718 0.509586 0.172404 H\n0.872282 0.990414 0.672404 H\n0.372282 0.490414 0.827596 H\n0.962104 0.075649 0.276690 H\n0.462104 0.575649 0.223310 H\n0.037896 0.924351 0.723310 H\n0.537896 0.424351 0.776690 H\n0.932642 0.184908 0.301271 H\n0.432642 0.684908 0.198729 H\n0.067358 0.815092 0.698729 H\n0.567358 0.315092 0.801271 H\n0.093181 0.143984 0.103896 H\n0.593181 0.643984 0.396104 H\n0.906819 0.856016 0.896104 H\n0.406819 0.356016 0.603896 H\n0.066889 0.049157 0.151806 H\n0.566889 0.549157 0.348194 H\n0.933111 0.950843 0.848194 H\n0.433111 0.450843 0.651806 H\n0.277999 0.527651 0.364106 C\n0.777999 0.027651 0.135894 C\n0.722001 0.472349 0.635894 C\n0.222001 0.972349 0.864106 C\n0.518144 0.236152 0.404203 C\n0.018144 0.736152 0.095797 C\n0.481856 0.763848 0.595797 C\n0.981856 0.263848 0.904203 C\n0.259118 0.485018 0.091157 C\n0.759118 0.985018 0.408843 C\n0.740882 0.514982 0.908843 C\n0.240882 0.014982 0.591157 C\n0.561125 0.252785 0.115047 C\n0.061125 0.752785 0.384953 C\n0.438875 0.747215 0.884953 C\n0.938875 0.247215 0.615047 C\n0.914274 0.385032 0.144571 C\n0.414274 0.885032 0.355429 C\n0.085726 0.614968 0.855429 C\n0.585726 0.114968 0.644571 C\n0.854642 0.427493 0.417849 C\n0.354642 0.927493 0.082151 C\n0.145358 0.572507 0.582151 C\n0.645358 0.072507 0.917849 C\n0.338686 0.414033 0.329229 S\n0.838686 0.914033 0.170771 S\n0.661314 0.585967 0.670771 S\n0.161314 0.085967 0.829229 S\n0.461392 0.351199 0.441032 S\n0.961392 0.851199 0.058968 S\n0.538608 0.648801 0.558968 S\n0.038608 0.148801 0.941032 S\n0.276042 0.344997 0.091868 S\n0.776042 0.844997 0.408132 S\n0.723958 0.655003 0.908132 S\n0.223958 0.155003 0.591868 S\n0.488276 0.356453 0.077172 S\n0.988276 0.856453 0.422828 S\n0.511724 0.643547 0.922828 S\n0.011724 0.143547 0.577172 S\n0.982043 0.429812 0.228235 S\n0.482043 0.929812 0.271765 S\n0.017957 0.570188 0.771765 S\n0.517957 0.070188 0.728235 S\n0.820715 0.381502 0.325652 S\n0.320715 0.881502 0.174348 S\n0.179285 0.618498 0.674348 S\n0.679285 0.118498 0.825652 S\n0.355998 0.348109 0.397362 N\n0.855998 0.848109 0.102638 N\n0.644002 0.651891 0.602638 N\n0.144002 0.151891 0.897362 N\n0.385940 0.335346 0.123125 N\n0.885940 0.835346 0.376875 N\n0.614060 0.664654 0.876875 N\n0.114060 0.164654 0.623125 N\n0.892531 0.458569 0.278664 N\n0.392531 0.958569 0.221336 N\n0.107469 0.541431 0.721336 N\n0.607469 0.041431 0.778664 N\n0.320067 0.171742 0.233527 O\n0.820067 0.671742 0.266473 O\n0.679933 0.828258 0.766473 O\n0.179933 0.328258 0.733527 O\n0.154444 0.220263 0.378803 O\n0.654444 0.720263 0.121197 O\n0.845556 0.779737 0.621197 O\n0.345556 0.279737 0.878803 O\n0.163322 0.041325 0.286364 O\n0.663322 0.541325 0.213636 O\n0.836678 0.958675 0.713636 O\n0.336678 0.458675 0.786364 O\n0.989463 0.142786 0.292156 O\n0.489463 0.642786 0.207844 O\n0.010537 0.857214 0.707844 O\n0.510537 0.357214 0.792156 O\n0.096606 0.119262 0.153369 O\n0.596606 0.619262 0.346631 O\n0.903394 0.880738 0.846631 O\n0.403394 0.380738 0.653369 O\n0.257251 0.361451 0.287879 O\n0.757251 0.861451 0.212121 O\n0.742749 0.638549 0.712121 O\n0.242749 0.138549 0.787879 O\n0.426628 0.455087 0.289996 O\n0.926628 0.955087 0.210004 O\n0.573372 0.544913 0.710004 O\n0.073372 0.044913 0.789996 O\n0.438592 0.325252 0.514118 O\n0.938592 0.825252 0.985882 O\n0.561408 0.674748 0.485882 O\n0.061408 0.174748 0.014118 O\n0.532218 0.436468 0.425103 O\n0.032218 0.936468 0.074897 O\n0.467782 0.563532 0.574897 O\n0.967782 0.063532 0.925103 O\n0.204257 0.304800 0.145932 O\n0.704257 0.804800 0.354068 O\n0.795743 0.695200 0.854068 O\n0.295743 0.195200 0.645932 O\n0.258350 0.312696 0.019533 O\n0.758350 0.812696 0.480467 O\n0.741650 0.687304 0.980467 O\n0.241650 0.187304 0.519533 O\n0.478892 0.337052 0.001707 O\n0.978892 0.837052 0.498293 O\n0.521108 0.662948 0.998293 O\n0.021108 0.162948 0.501707 O\n0.545054 0.448601 0.100241 O\n0.045054 0.948601 0.399759 O\n0.454946 0.551399 0.899759 O\n0.954946 0.051399 0.600241 O\n0.032233 0.340246 0.251353 O\n0.532233 0.840246 0.248647 O\n0.967767 0.659754 0.748647 O\n0.467767 0.159754 0.751353 O\n0.043689 0.519826 0.210396 O\n0.543689 0.019826 0.289604 O\n0.956311 0.480174 0.789604 O\n0.456311 0.980174 0.710396 O\n0.842407 0.276045 0.324481 O\n0.342407 0.776045 0.175519 O\n0.157593 0.723955 0.675519 O\n0.657593 0.223955 0.824481 O\n0.716971 0.405624 0.315183 O\n0.216971 0.905624 0.184817 O\n0.283029 0.594376 0.684817 O\n0.783029 0.094376 0.815183 O\n0.260358 0.589930 0.309342 F\n0.760358 0.089930 0.190658 F\n0.739642 0.410070 0.690658 F\n0.239642 0.910070 0.809342 F\n0.189585 0.499285 0.396666 F\n0.689585 0.999285 0.103334 F\n0.810415 0.500715 0.603334 F\n0.310415 0.000715 0.896666 F\n0.341345 0.577251 0.410775 F\n0.841345 0.077251 0.089225 F\n0.658655 0.422749 0.589225 F\n0.158655 0.922749 0.910775 F\n0.458025 0.151726 0.418409 F\n0.958025 0.651726 0.081591 F\n0.541975 0.848274 0.581591 F\n0.041975 0.348274 0.918409 F\n0.609439 0.228027 0.434596 F\n0.109439 0.728027 0.065404 F\n0.390561 0.771973 0.565404 F\n0.890561 0.271973 0.934596 F\n0.529469 0.246384 0.333228 F\n0.029469 0.746384 0.166772 F\n0.470531 0.753616 0.666772 F\n0.970531 0.253616 0.833228 F\n0.269174 0.524745 0.157116 F\n0.769174 0.024745 0.342884 F\n0.730826 0.475255 0.842884 F\n0.230826 0.975255 0.657116 F\n0.330366 0.531253 0.048337 F\n0.830366 0.031253 0.451663 F\n0.669634 0.468747 0.951663 F\n0.169634 0.968747 0.548337 F\n0.166710 0.500310 0.065588 F\n0.666710 0.000310 0.434412 F\n0.833290 0.499690 0.934412 F\n0.333290 0.999690 0.565588 F\n0.513452 0.160648 0.102103 F\n0.013452 0.660648 0.397897 F\n0.486548 0.839352 0.897897 F\n0.986548 0.339352 0.602103 F\n0.572353 0.264861 0.186116 F\n0.072353 0.764861 0.313884 F\n0.427647 0.735139 0.813884 F\n0.927647 0.235139 0.686116 F\n0.653307 0.258294 0.084376 F\n0.153307 0.758294 0.415624 F\n0.346693 0.741706 0.915624 F\n0.846693 0.241706 0.584376 F\n0.852042 0.301589 0.159153 F\n0.352042 0.801589 0.340847 F\n0.147958 0.698411 0.840847 F\n0.647958 0.198411 0.659153 F\n0.858728 0.458189 0.119352 F\n0.358728 0.958189 0.380648 F\n0.141272 0.541811 0.880648 F\n0.641272 0.041811 0.619352 F\n0.982272 0.361826 0.095252 F\n0.482272 0.861826 0.404748 F\n0.017728 0.638174 0.904748 F\n0.517728 0.138174 0.595252 F\n0.954415 0.420383 0.429440 F\n0.454415 0.920383 0.070560 F\n0.045585 0.579617 0.570560 F\n0.545585 0.079617 0.929440 F\n0.800717 0.369569 0.465317 F\n0.300717 0.869569 0.034683 F\n0.199283 0.630431 0.534683 F\n0.699283 0.130431 0.965317 F\n0.833097 0.524927 0.425681 F\n0.333097 0.024927 0.074319 F\n0.166903 0.475073 0.574319 F\n0.666903 0.975073 0.925681 F\n","nsites":244,"nelements":7,"elements":["Tb","H","C","S","N","O","F"],"chemical_system":"C-F-H-N-O-S-Tb","density":2.202997682589429,"density_atomic":0.07428333922012614,"volume":3284.7204038168934,"volume_molar":8.106987143044826,"formula_full":"Tb4 H40 C24 S24 N12 O68 F72","formula_reduced":"TbH10C6S6N3O17F18","formula_anonymous":"AB3C6D6E10F17G18","energy":-1435.84563694,"energy_per_atom":-5.884613266147541,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1351.53363694,"band_gap":5.6766,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":5.2e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:35:13.810000Z","spacegroup":14},{"id":"mp-979962","created_at":"2022-09-04T14:41:12.147039Z","structure_string":"Ac1 Yb1 Cd2\n1.0\n0.000000 3.966043 3.966043\n3.966043 0.000000 3.966043\n3.966043 3.966043 0.000000\nAc Yb Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n","nsites":4,"nelements":3,"elements":["Ac","Yb","Cd"],"chemical_system":"Ac-Cd-Yb","density":8.316315571385807,"density_atomic":0.032059573469196356,"volume":124.76772355824697,"volume_molar":18.784219839313284,"formula_full":"Ac1 Yb1 Cd2","formula_reduced":"AcYbCd2","formula_anonymous":"ABC2","energy":-8.96025177,"energy_per_atom":-2.2400629425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.96025177,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016906,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.282000Z","spacegroup":225},{"id":"mp-2928","created_at":"2022-09-04T14:41:12.158422Z","structure_string":"Fe2 P2 Se6\n1.0\n6.590989 -3.083096 0.000000\n6.590989 3.083096 0.000000\n5.148796 0.000000 5.141645\nFe P Se\n2 2 6\ndirect\n0.164508 0.164508 0.164508 Fe\n0.835492 0.835492 0.835492 Fe\n0.442976 0.442976 0.442976 P\n0.557024 0.557024 0.557024 P\n0.798600 0.045763 0.430870 Se\n0.045763 0.430870 0.798600 Se\n0.430870 0.798600 0.045763 Se\n0.201400 0.954237 0.569130 Se\n0.954237 0.569130 0.201400 Se\n0.569130 0.201400 0.954237 Se\n","nsites":10,"nelements":3,"elements":["Fe","P","Se"],"chemical_system":"Fe-P-Se","density":5.144585784772708,"density_atomic":0.04785532630258073,"volume":208.9631556740785,"volume_molar":12.584055371230933,"formula_full":"Fe2 P2 Se6","formula_reduced":"FePSe3","formula_anonymous":"ABC3","energy":-52.89859962999999,"energy_per_atom":-5.289859963,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.06659963,"band_gap":0.0015,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003489,"is_theoretical":false,"updated_at":"2021-11-28T01:35:17.286000Z","spacegroup":148},{"id":"mp-961662","created_at":"2022-09-04T14:41:14.302876Z","structure_string":"Zr1 Ni1 Ge1\n1.0\n0.000000 3.091345 3.091345\n3.091345 0.000000 3.091345\n3.091345 3.091345 0.000000\nZr Ni Ge\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ge\n","nsites":3,"nelements":3,"elements":["Zr","Ni","Ge"],"chemical_system":"Ge-Ni-Zr","density":6.254876127803311,"density_atomic":0.050774871324448155,"volume":59.08434471118978,"volume_molar":11.860474685438213,"formula_full":"Zr1 Ni1 Ge1","formula_reduced":"ZrNiGe","formula_anonymous":"ABC","energy":-18.82299134,"energy_per_atom":-6.274330446666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.82299134,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0148602,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.767000Z","spacegroup":216},{"id":"mp-1218973","created_at":"2022-09-04T14:41:07.431987Z","structure_string":"Sm1 Zn1 Ag1 As2\n1.0\n2.149234 -3.722582 0.000000\n2.149234 3.722582 0.000000\n0.000000 0.000000 6.924138\nSm Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.985242 Sm\n0.666667 0.333333 0.375096 Zn\n0.333333 0.666667 0.636369 Ag\n0.333333 0.666667 0.244362 As\n0.666667 0.333333 0.758931 As\n","nsites":5,"nelements":4,"elements":["Sm","Zn","Ag","As"],"chemical_system":"Ag-As-Sm-Zn","density":7.096225656215846,"density_atomic":0.04512802407578361,"volume":110.79589905384483,"volume_molar":13.34456999466009,"formula_full":"Sm1 Zn1 Ag1 As2","formula_reduced":"SmZnAgAs2","formula_anonymous":"ABCD2","energy":-21.28352869,"energy_per_atom":-4.256705738,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.28352869,"band_gap":0.1562000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.999000Z","spacegroup":156},{"id":"mp-11490","created_at":"2022-09-04T14:41:07.434562Z","structure_string":"Li2 Zn1 Sn1\n1.0\n0.000000 3.253194 3.253194\n3.253194 0.000000 3.253194\n3.253194 3.253194 0.000000\nLi Zn Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n","nsites":4,"nelements":3,"elements":["Li","Zn","Sn"],"chemical_system":"Li-Sn-Zn","density":4.774815527881533,"density_atomic":0.058089830297570776,"volume":68.85886874707006,"volume_molar":10.36694500423052,"formula_full":"Li2 Zn1 Sn1","formula_reduced":"Li2ZnSn","formula_anonymous":"ABC2","energy":-10.18232098,"energy_per_atom":-2.545580245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.18232098,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005914,"is_theoretical":false,"updated_at":"2021-11-28T01:35:10.424000Z","spacegroup":225},{"id":"mp-1029179","created_at":"2022-09-04T14:41:13.898132Z","structure_string":"Mo2 W2 Se4 S4\n1.0\n1.626983 -2.818016 0.000000\n1.626983 2.818016 0.000000\n0.000000 0.000000 36.884675\nMo W Se S\n2 2 4 4\ndirect\n0.000000 0.000000 0.469663 Mo\n0.333333 0.666667 0.281806 Mo\n0.000000 0.000000 0.093919 W\n0.333333 0.666667 0.657569 W\n0.000000 0.000000 0.703900 Se\n0.333333 0.666667 0.423634 Se\n0.333333 0.666667 0.515649 Se\n0.000000 0.000000 0.611216 Se\n0.000000 0.000000 0.323681 S\n0.333333 0.666667 0.051906 S\n0.333333 0.666667 0.135921 S\n0.000000 0.000000 0.239884 S\n","nsites":12,"nelements":4,"elements":["Mo","W","Se","S"],"chemical_system":"Mo-S-Se-W","density":4.927575497593894,"density_atomic":0.03547960854746711,"volume":338.22244639327283,"volume_molar":16.973526503098693,"formula_full":"Mo2 W2 Se4 S4","formula_reduced":"MoW(SeS)2","formula_anonymous":"ABC2D2","energy":-90.61080829,"energy_per_atom":-7.550900690833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.71080829,"band_gap":0.5697999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001238,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.169000Z","spacegroup":156}]}