{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=61","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=59","results":[{"id":"mp-865887","created_at":"2022-09-04T14:39:09.716852Z","structure_string":"Tm1 Cd1 Au2\n1.0\n0.000000 3.468020 3.468020\n3.468020 0.000000 3.468020\n3.468020 3.468020 0.000000\nTm Cd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n","nsites":4,"nelements":3,"elements":["Tm","Cd","Au"],"chemical_system":"Au-Cd-Tm","density":13.44179124731969,"density_atomic":0.04794962505498202,"volume":83.42088171520322,"volume_molar":12.559307300306601,"formula_full":"Tm1 Cd1 Au2","formula_reduced":"TmCdAu2","formula_anonymous":"ABC2","energy":-14.63302477,"energy_per_atom":-3.6582561925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.63302477,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017733,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.092000Z","spacegroup":225},{"id":"mp-21275","created_at":"2022-09-04T14:39:08.950141Z","structure_string":"Ni4 Sb8 O16\n1.0\n6.056630 0.000000 0.000000\n0.000000 8.477577 0.000000\n0.000000 0.000000 8.477577\nNi Sb O\n4 8 16\ndirect\n0.750000 0.500000 0.000000 Ni\n0.250000 0.500000 0.000000 Ni\n0.250000 0.000000 0.500000 Ni\n0.750000 0.000000 0.500000 Ni\n0.000000 0.827864 0.835148 Sb\n0.500000 0.164852 0.827864 Sb\n0.500000 0.835148 0.172136 Sb\n0.000000 0.172136 0.164852 Sb\n0.000000 0.672136 0.335148 Sb\n0.000000 0.327864 0.664852 Sb\n0.500000 0.664852 0.672136 Sb\n0.500000 0.335148 0.327864 Sb\n0.500000 0.862752 0.402553 O\n0.500000 0.137248 0.597447 O\n0.000000 0.402553 0.137248 O\n0.000000 0.597447 0.862752 O\n0.000000 0.902553 0.362752 O\n0.500000 0.637248 0.902553 O\n0.500000 0.362752 0.097447 O\n0.000000 0.097447 0.637248 O\n0.750000 0.676500 0.176500 O\n0.250000 0.823500 0.676500 O\n0.250000 0.176500 0.323500 O\n0.750000 0.323500 0.823500 O\n0.250000 0.676500 0.176500 O\n0.750000 0.823500 0.676500 O\n0.750000 0.176500 0.323500 O\n0.250000 0.323500 0.823500 O\n","nsites":28,"nelements":3,"elements":["Ni","Sb","O"],"chemical_system":"Ni-O-Sb","density":5.588122841463149,"density_atomic":0.06432554904949407,"volume":435.2858298722943,"volume_molar":9.361973351158461,"formula_full":"Ni4 Sb8 O16","formula_reduced":"Ni(SbO2)2","formula_anonymous":"AB2C4","energy":-180.76743097,"energy_per_atom":-6.455979677499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.61143097,"band_gap":1.7233,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.189000Z","spacegroup":135},{"id":"mp-1233935","created_at":"2022-09-04T14:39:08.962513Z","structure_string":"Ca1 In4 Ge4 O14\n1.0\n-5.272461 -5.272461 -0.228423\n-5.272461 -0.228423 -5.272461\n-0.228423 -5.272461 -5.272461\nCa In Ge O\n1 4 4 14\ndirect\n0.737591 0.737591 0.737591 Ca\n0.460783 0.460783 0.006452 In\n0.460783 0.006452 0.460783 In\n0.006452 0.460783 0.460783 In\n0.491805 0.491805 0.491805 In\n0.006829 0.006829 0.500238 Ge\n0.006829 0.500238 0.006829 Ge\n0.500238 0.006829 0.006829 Ge\n0.012262 0.012262 0.012262 Ge\n0.374111 0.374111 0.374111 O\n0.615348 0.615348 0.615348 O\n0.340420 0.927119 0.927119 O\n0.927155 0.322858 0.322858 O\n0.927119 0.340420 0.927119 O\n0.322858 0.927155 0.322858 O\n0.927119 0.927119 0.340420 O\n0.322858 0.322858 0.927155 O\n0.670696 0.082494 0.082494 O\n0.089388 0.687554 0.687554 O\n0.082494 0.670696 0.082494 O\n0.687554 0.089388 0.687554 O\n0.082494 0.082494 0.670696 O\n0.687554 0.687554 0.089388 O\n","nsites":23,"nelements":4,"elements":["Ca","In","Ge","O"],"chemical_system":"Ca-Ge-In-O","density":6.142393549655608,"density_atomic":0.08391132306713783,"volume":274.0988839086424,"volume_molar":7.176791569811928,"formula_full":"Ca1 In4 Ge4 O14","formula_reduced":"CaIn4(Ge2O7)2","formula_anonymous":"AB4C4D14","energy":-144.10074803999998,"energy_per_atom":-6.265249914782608,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-134.48274804,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.953000Z","spacegroup":160},{"id":"mp-772861","created_at":"2022-09-04T14:39:09.355220Z","structure_string":"Ba4 Sr8 I24\n1.0\n8.170479 0.000000 0.000000\n0.000000 8.170479 0.000000\n0.000000 0.000000 24.566283\nBa Sr I\n4 8 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.168002 Sr\n0.000000 0.000000 0.331282 Sr\n0.000000 0.000000 0.668718 Sr\n0.000000 0.500000 0.831998 Sr\n0.500000 0.500000 0.331282 Sr\n0.500000 0.000000 0.168002 Sr\n0.500000 0.000000 0.831998 Sr\n0.500000 0.500000 0.668718 Sr\n0.233591 0.758259 0.586710 I\n0.234625 0.743510 0.086760 I\n0.256490 0.234625 0.913240 I\n0.258259 0.733591 0.413290 I\n0.235218 0.265332 0.250452 I\n0.234668 0.264782 0.749548 I\n0.265332 0.764782 0.749548 I\n0.264782 0.765332 0.250452 I\n0.243510 0.734625 0.913240 I\n0.241741 0.233591 0.413290 I\n0.265375 0.243510 0.086760 I\n0.266409 0.258259 0.586710 I\n0.733591 0.741741 0.586710 I\n0.734625 0.756490 0.086760 I\n0.756490 0.265375 0.913240 I\n0.758259 0.766409 0.413290 I\n0.735218 0.234668 0.250452 I\n0.734668 0.235218 0.749548 I\n0.765332 0.735218 0.749548 I\n0.764782 0.734668 0.250452 I\n0.741741 0.266409 0.413290 I\n0.743510 0.765375 0.913240 I\n0.765375 0.256490 0.086760 I\n0.766409 0.241741 0.586710 I\n","nsites":36,"nelements":3,"elements":["Ba","Sr","I"],"chemical_system":"Ba-I-Sr","density":4.349871067229659,"density_atomic":0.02195169268048949,"volume":1639.964649832974,"volume_molar":27.43360545199522,"formula_full":"Ba4 Sr8 I24","formula_reduced":"BaSr2I6","formula_anonymous":"AB2C6","energy":-128.29796464999998,"energy_per_atom":-3.5638323513888883,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.20196465,"band_gap":3.2767,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.006763,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.124000Z","spacegroup":117},{"id":"mp-770343","created_at":"2022-09-04T14:39:09.365400Z","structure_string":"Li12 V4 B8 O24\n1.0\n8.764634 0.000000 0.000000\n0.000000 5.971310 0.000000\n0.000000 5.898274 8.608265\nLi V B O\n12 4 8 24\ndirect\n0.241542 0.837144 0.152961 Li\n0.770407 0.627256 0.396933 Li\n0.417391 0.881522 0.401993 Li\n0.917391 0.118478 0.098007 Li\n0.270407 0.372744 0.103067 Li\n0.741542 0.162856 0.347039 Li\n0.258458 0.837144 0.652961 Li\n0.729593 0.627256 0.896933 Li\n0.082609 0.881522 0.901993 Li\n0.582609 0.118478 0.598007 Li\n0.229593 0.372744 0.603067 Li\n0.758458 0.162856 0.847039 Li\n0.401062 0.292422 0.868977 V\n0.901062 0.707578 0.631023 V\n0.098938 0.292422 0.368977 V\n0.598938 0.707578 0.131023 V\n0.106297 0.854707 0.364021 B\n0.565161 0.613377 0.636501 B\n0.065161 0.386623 0.863499 B\n0.606297 0.145293 0.135979 B\n0.393703 0.854707 0.864021 B\n0.934839 0.613377 0.136501 B\n0.434839 0.386623 0.363499 B\n0.893703 0.145293 0.635979 B\n0.140309 0.624504 0.373117 O\n0.466873 0.072715 0.103178 O\n0.718044 0.949425 0.183641 O\n0.411998 0.574039 0.617335 O\n0.155308 0.200348 0.986134 O\n0.612269 0.454496 0.791181 O\n0.112269 0.545504 0.708819 O\n0.655308 0.799652 0.513866 O\n0.218044 0.050575 0.316359 O\n0.911998 0.425961 0.882665 O\n0.966873 0.927285 0.396822 O\n0.640309 0.375496 0.126883 O\n0.359691 0.624504 0.873117 O\n0.033127 0.072715 0.603178 O\n0.088002 0.574039 0.117335 O\n0.781956 0.949425 0.683641 O\n0.344692 0.200348 0.486134 O\n0.887731 0.454496 0.291181 O\n0.387731 0.545504 0.208819 O\n0.844692 0.799652 0.013866 O\n0.588002 0.425961 0.382665 O\n0.281956 0.050575 0.816359 O\n0.533127 0.927285 0.896822 O\n0.859691 0.375496 0.626883 O\n","nsites":48,"nelements":4,"elements":["Li","V","B","O"],"chemical_system":"B-Li-O-V","density":2.792099044491731,"density_atomic":0.10654233387027916,"volume":450.52514109971065,"volume_molar":5.652345449211081,"formula_full":"Li12 V4 B8 O24","formula_reduced":"Li3V(BO3)2","formula_anonymous":"AB2C3D6","energy":-355.1924821,"energy_per_atom":-7.399843377083333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-331.9044821,"band_gap":2.4333,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0855155,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.981000Z","spacegroup":14},{"id":"mp-1020587","created_at":"2022-09-04T14:39:09.366210Z","structure_string":"Sr8 Mg24 Si8 N32\n1.0\n-5.816198 5.816198 6.807923\n5.816198 -5.816198 6.807923\n5.816198 5.816198 -6.807923\nSr Mg Si N\n8 24 8 32\ndirect\n0.562455 0.044699 0.998248 Sr\n0.046451 0.564207 0.001752 Sr\n0.314207 0.812455 0.017756 Sr\n0.794699 0.296451 0.982244 Sr\n0.187545 0.205301 0.501752 Sr\n0.703549 0.685793 0.498248 Sr\n0.435793 0.437545 0.482244 Sr\n0.955301 0.953549 0.517756 Sr\n0.838621 0.159035 0.371926 Mg\n0.787109 0.466695 0.628074 Mg\n0.216695 0.088621 0.179586 Mg\n0.909035 0.037109 0.820414 Mg\n0.911379 0.090965 0.128074 Mg\n0.962891 0.783305 0.871926 Mg\n0.533305 0.161379 0.320414 Mg\n0.840965 0.212891 0.679586 Mg\n0.587568 0.951505 0.648231 Mg\n0.303274 0.939338 0.351769 Mg\n0.689338 0.837568 0.136064 Mg\n0.701505 0.553274 0.863936 Mg\n0.162432 0.298495 0.851769 Mg\n0.446726 0.310662 0.148231 Mg\n0.060662 0.412432 0.363936 Mg\n0.048495 0.696726 0.636064 Mg\n0.292540 0.974310 0.637121 Mg\n0.337189 0.655420 0.362879 Mg\n0.405420 0.542540 0.818231 Mg\n0.724310 0.587189 0.181769 Mg\n0.457460 0.275690 0.862879 Mg\n0.412811 0.594580 0.137121 Mg\n0.344580 0.707460 0.681769 Mg\n0.025690 0.662811 0.318231 Mg\n0.755500 0.397349 0.288705 Si\n0.108645 0.466796 0.711295 Si\n0.216796 0.005500 0.858151 Si\n0.147349 0.358645 0.141849 Si\n0.994500 0.852651 0.211295 Si\n0.641355 0.783204 0.788705 Si\n0.533204 0.244500 0.641849 Si\n0.602651 0.891355 0.358151 Si\n0.615287 0.359773 0.096126 N\n0.263646 0.519161 0.903874 N\n0.269161 0.865287 0.755515 N\n0.109773 0.513646 0.244485 N\n0.134713 0.890227 0.403874 N\n0.486354 0.730839 0.596126 N\n0.480839 0.384713 0.744485 N\n0.640227 0.736354 0.255515 N\n0.752072 0.978251 0.880960 N\n0.097292 0.871112 0.119040 N\n0.621112 0.002072 0.273820 N\n0.728251 0.347292 0.726180 N\n0.997928 0.271749 0.619040 N\n0.652708 0.378888 0.380960 N\n0.128888 0.247928 0.226180 N\n0.021749 0.902708 0.773820 N\n0.833700 0.264423 0.243490 N\n0.020933 0.590210 0.756510 N\n0.340210 0.083700 0.069277 N\n0.014423 0.270933 0.930723 N\n0.916300 0.985577 0.256510 N\n0.729067 0.659790 0.743490 N\n0.409790 0.166300 0.430723 N\n0.735577 0.979067 0.569277 N\n0.503683 0.113377 0.701799 N\n0.411579 0.801884 0.298201 N\n0.551884 0.753683 0.890306 N\n0.863377 0.661579 0.109694 N\n0.246317 0.136622 0.798201 N\n0.338421 0.448116 0.201799 N\n0.198116 0.496317 0.609694 N\n0.886622 0.588421 0.390306 N\n","nsites":72,"nelements":4,"elements":["Sr","Mg","Si","N"],"chemical_system":"Mg-N-Si-Sr","density":3.5279832920067244,"density_atomic":0.07815909185043676,"volume":921.1980115861294,"volume_molar":7.704977907783031,"formula_full":"Sr8 Mg24 Si8 N32","formula_reduced":"SrMg3SiN4","formula_anonymous":"ABC3D4","energy":-444.54142179,"energy_per_atom":-6.17418641375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-432.98942179,"band_gap":2.4133,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063784,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.597000Z","spacegroup":88},{"id":"mp-1209722","created_at":"2022-09-04T14:39:09.395571Z","structure_string":"Sm10 Cu2 Pb6\n1.0\n4.777855 -8.275487 0.000000\n4.777855 8.275487 0.000000\n0.000000 0.000000 6.920722\nSm Cu Pb\n10 2 6\ndirect\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.000000 Sm\n0.666667 0.333333 0.500000 Sm\n0.333333 0.666667 0.500000 Sm\n0.253004 0.000000 0.250000 Sm\n0.746996 0.000000 0.750000 Sm\n0.000000 0.253004 0.250000 Sm\n0.000000 0.746996 0.750000 Sm\n0.746996 0.746996 0.250000 Sm\n0.253004 0.253004 0.750000 Sm\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.611819 0.000000 0.250000 Pb\n0.388181 0.000000 0.750000 Pb\n0.000000 0.611819 0.250000 Pb\n0.000000 0.388181 0.750000 Pb\n0.388181 0.388181 0.250000 Pb\n0.611819 0.611819 0.750000 Pb\n","nsites":18,"nelements":3,"elements":["Sm","Cu","Pb"],"chemical_system":"Cu-Pb-Sm","density":8.719902212480694,"density_atomic":0.032890053418588604,"volume":547.2779192820303,"volume_molar":18.309914804201696,"formula_full":"Sm10 Cu2 Pb6","formula_reduced":"Sm5CuPb3","formula_anonymous":"AB3C5","energy":-86.52007059,"energy_per_atom":-4.806670588333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.52007059,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010405,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.005000Z","spacegroup":193},{"id":"mp-29269","created_at":"2022-09-04T14:39:08.950930Z","structure_string":"Na4 Sb4 F16\n1.0\n5.707808 0.000000 0.000000\n0.000000 8.162037 0.000000\n0.000000 0.086973 8.635007\nNa Sb F\n4 4 16\ndirect\n0.790143 0.855603 0.334738 Na\n0.290143 0.144397 0.165262 Na\n0.709857 0.855603 0.834738 Na\n0.209857 0.144397 0.665262 Na\n0.289956 0.670214 0.149821 Sb\n0.789956 0.329786 0.350179 Sb\n0.710044 0.329786 0.850179 Sb\n0.210044 0.670214 0.649821 Sb\n0.572758 0.818595 0.087244 F\n0.624133 0.112715 0.325926 F\n0.004449 0.401246 0.704909 F\n0.927242 0.818595 0.587244 F\n0.875867 0.112715 0.825927 F\n0.995551 0.598754 0.295091 F\n0.427242 0.181405 0.912756 F\n0.435270 0.708522 0.357546 F\n0.064730 0.708522 0.857546 F\n0.504449 0.598754 0.795091 F\n0.124133 0.887285 0.174074 F\n0.935270 0.291478 0.142454 F\n0.495551 0.401246 0.204909 F\n0.072758 0.181405 0.412756 F\n0.375867 0.887285 0.674073 F\n0.564730 0.291478 0.642454 F\n","nsites":24,"nelements":3,"elements":["Na","Sb","F"],"chemical_system":"F-Na-Sb","density":3.6447368023488296,"density_atomic":0.05965964059532479,"volume":402.28200774445753,"volume_molar":10.094161982718889,"formula_full":"Na4 Sb4 F16","formula_reduced":"NaSbF4","formula_anonymous":"ABC4","energy":-120.41963203,"energy_per_atom":-5.0174846679166665,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.02763203,"band_gap":4.3132,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.92e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.455000Z","spacegroup":14},{"id":"mp-1094456","created_at":"2022-09-04T14:39:09.059931Z","structure_string":"Mg2 Zn4\n1.0\n1.472128 5.407796 0.000000\n-1.472128 5.407796 0.000000\n0.000000 2.041790 6.470570\nMg Zn\n2 4\ndirect\n0.811911 0.811911 0.645465 Mg\n0.188089 0.188089 0.354535 Mg\n0.132962 0.132962 0.978203 Zn\n0.530729 0.530729 0.704536 Zn\n0.469271 0.469271 0.295464 Zn\n0.867038 0.867038 0.021797 Zn\n","nsites":6,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":5.000539699190526,"density_atomic":0.058238856819878684,"volume":103.024000257368,"volume_molar":10.34041718680244,"formula_full":"Mg2 Zn4","formula_reduced":"MgZn2","formula_anonymous":"AB2","energy":-8.29773264,"energy_per_atom":-1.38295544,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.29773264,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.8e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.790000Z","spacegroup":12},{"id":"mp-22821","created_at":"2022-09-04T14:39:09.318784Z","structure_string":"Sn4 P8 Pb4 O32\n1.0\n15.073051 0.000000 0.000000\n0.000000 4.930707 0.000000\n0.000000 4.514816 8.943714\nSn P Pb O\n4 8 4 32\ndirect\n0.141540 0.186125 0.550198 Sn\n0.641540 0.813875 0.949802 Sn\n0.858460 0.813875 0.449802 Sn\n0.358460 0.186125 0.050198 Sn\n0.023490 0.552724 0.703482 P\n0.523490 0.447276 0.796518 P\n0.976510 0.447276 0.296518 P\n0.476510 0.552724 0.203482 P\n0.737427 0.171943 0.609477 P\n0.237427 0.828057 0.890523 P\n0.262573 0.828057 0.390523 P\n0.762573 0.171943 0.109477 P\n0.399398 0.125016 0.589170 Pb\n0.899398 0.874984 0.910830 Pb\n0.600602 0.874984 0.410830 Pb\n0.100602 0.125016 0.089170 Pb\n0.107301 0.432118 0.660753 O\n0.607301 0.567882 0.839247 O\n0.892699 0.567882 0.339247 O\n0.392699 0.432118 0.160753 O\n0.039169 0.894340 0.662302 O\n0.539169 0.105660 0.837698 O\n0.960831 0.105660 0.337698 O\n0.460831 0.894340 0.162302 O\n0.937931 0.522556 0.624173 O\n0.437931 0.477444 0.875827 O\n0.062069 0.477444 0.375827 O\n0.562069 0.522556 0.124173 O\n0.504602 0.628527 0.627212 O\n0.004602 0.371473 0.872788 O\n0.495398 0.371473 0.372788 O\n0.995398 0.628527 0.127212 O\n0.848343 0.109482 0.049315 O\n0.348343 0.890518 0.450685 O\n0.151657 0.890518 0.950685 O\n0.651657 0.109482 0.549315 O\n0.750453 0.526693 0.035462 O\n0.250453 0.473307 0.464538 O\n0.249547 0.473307 0.964538 O\n0.749547 0.526693 0.535462 O\n0.678787 0.017460 0.083253 O\n0.178787 0.982540 0.416747 O\n0.321213 0.982540 0.916747 O\n0.821213 0.017460 0.583253 O\n0.265925 0.935060 0.217094 O\n0.765925 0.064940 0.282906 O\n0.734075 0.064940 0.782906 O\n0.234075 0.935060 0.717094 O\n","nsites":48,"nelements":4,"elements":["Sn","P","Pb","O"],"chemical_system":"O-P-Pb-Sn","density":5.154737443782877,"density_atomic":0.07221259797716384,"volume":664.7039622529477,"volume_molar":8.339460050868704,"formula_full":"Sn4 P8 Pb4 O32","formula_reduced":"SnP2PbO8","formula_anonymous":"ABC2D8","energy":-350.11128015,"energy_per_atom":-7.293985003125001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-328.12728015,"band_gap":3.5908,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003867,"is_theoretical":false,"updated_at":"2021-11-28T01:34:33.066000Z","spacegroup":14},{"id":"mp-1234144","created_at":"2022-09-04T14:39:09.320239Z","structure_string":"Ca1 Si6 O12\n1.0\n5.756732 0.000000 2.026517\n2.513685 6.660741 2.049208\n0.635748 -0.245089 7.383872\nCa Si O\n1 6 12\ndirect\n0.495326 0.250000 0.750000 Ca\n0.375791 0.316039 0.305521 Si\n0.997351 0.183961 0.194479 Si\n0.624387 0.696665 0.680235 Si\n0.001286 0.803335 0.819765 Si\n0.995661 0.250000 0.750000 Si\n0.999912 0.750000 0.250000 Si\n0.740699 0.439900 0.728273 O\n0.908872 0.060100 0.771727 O\n0.246501 0.559090 0.276198 O\n0.081789 0.940910 0.223802 O\n0.258157 0.254323 0.561319 O\n0.073800 0.245677 0.938681 O\n0.319710 0.719691 0.727016 O\n0.766416 0.780309 0.772984 O\n0.678653 0.270973 0.292150 O\n0.241777 0.229027 0.207850 O\n0.927641 0.752517 0.061112 O\n0.741270 0.747483 0.438888 O\n","nsites":19,"nelements":3,"elements":["Ca","Si","O"],"chemical_system":"Ca-O-Si","density":2.4084388709090367,"density_atomic":0.06879339605150207,"volume":276.18930145236146,"volume_molar":8.753951840801019,"formula_full":"Ca1 Si6 O12","formula_reduced":"Ca(SiO2)6","formula_anonymous":"AB6C12","energy":-149.38597099,"energy_per_atom":-7.862419525789474,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.14197099,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006246,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.129000Z","spacegroup":5},{"id":"mp-1221062","created_at":"2022-09-04T14:39:06.897513Z","structure_string":"Na1 Nd3 Ti3 Mn1 O12\n1.0\n5.499195 0.000000 0.000000\n0.012090 5.656948 0.000000\n0.032851 0.017159 7.885426\nNa Nd Ti Mn O\n1 3 3 1 12\ndirect\n0.497258 0.481868 0.249795 Na\n0.017041 0.949638 0.241615 Nd\n0.512514 0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n","nsites":20,"nelements":5,"elements":["Na","Nd","Ti","Mn","O"],"chemical_system":"Mn-Na-Nd-O-Ti","density":5.728489056433703,"density_atomic":0.0815311425869986,"volume":245.30503762606793,"volume_molar":7.386307328606387,"formula_full":"Na1 Nd3 Ti3 Mn1 O12","formula_reduced":"NaNd3Ti3MnO12","formula_anonymous":"ABC3D3E12","energy":-175.88603215,"energy_per_atom":-8.7943016075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-165.97403215,"band_gap":1.0561999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0172513,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.519000Z","spacegroup":1}]}