{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10170","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10168","results":[{"id":"mp-13074","created_at":"2022-09-04T14:41:27.095304Z","structure_string":"Lu3 Ni3 Pb3\n1.0\n3.720761 -6.444547 0.000000\n3.720761 6.444547 0.000000\n0.000000 0.000000 3.809439\nLu Ni Pb\n3 3 3\ndirect\n0.597937 0.000000 0.500000 Lu\n0.402063 0.402063 0.500000 Lu\n0.000000 0.597937 0.500000 Lu\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.265624 0.000000 0.000000 Pb\n0.734376 0.734376 0.000000 Pb\n0.000000 0.265624 0.000000 Pb\n","nsites":9,"nelements":3,"elements":["Lu","Ni","Pb"],"chemical_system":"Lu-Ni-Pb","density":12.021433365629543,"density_atomic":0.04926373329729756,"volume":182.69017383815915,"volume_molar":12.224288248025154,"formula_full":"Lu3 Ni3 Pb3","formula_reduced":"LuNiPb","formula_anonymous":"ABC","energy":-45.70112006,"energy_per_atom":-5.077902228888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.70112006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0481198,"is_theoretical":false,"updated_at":"2021-11-28T01:35:19.464000Z","spacegroup":189},{"id":"mp-568692","created_at":"2022-09-04T14:41:27.101256Z","structure_string":"In8 Br14\n1.0\n16.033490 -3.908373 0.000000\n16.033490 3.908373 0.000000\n15.080774 0.000000 6.702124\nIn Br\n8 14\ndirect\n0.151058 0.151058 0.151058 In\n0.708160 0.708160 0.708160 In\n0.417064 0.417064 0.417064 In\n0.500000 0.500000 0.500000 In\n0.582936 0.582936 0.582936 In\n0.291840 0.291840 0.291840 In\n0.000000 0.000000 0.000000 In\n0.848942 0.848942 0.848942 In\n0.139126 0.630972 0.630972 Br\n0.096944 0.627694 0.096944 Br\n0.096944 0.096944 0.627694 Br\n0.369028 0.369028 0.860874 Br\n0.372306 0.903056 0.903056 Br\n0.630972 0.139126 0.630972 Br\n0.630972 0.630972 0.139126 Br\n0.903056 0.372306 0.903056 Br\n0.654749 0.654749 0.654749 Br\n0.627694 0.096944 0.096944 Br\n0.903056 0.903056 0.372306 Br\n0.860874 0.369028 0.369028 Br\n0.345251 0.345251 0.345251 Br\n0.369028 0.860874 0.369028 Br\n","nsites":22,"nelements":2,"elements":["In","Br"],"chemical_system":"Br-In","density":4.027320946540157,"density_atomic":0.026191245825208005,"volume":839.9753164404993,"volume_molar":22.992952684228317,"formula_full":"In8 Br14","formula_reduced":"In4Br7","formula_anonymous":"A4B7","energy":-69.15520031,"energy_per_atom":-3.1434181959090908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-61.67920031,"band_gap":2.2604,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004269,"is_theoretical":false,"updated_at":"2021-11-28T01:35:24.651000Z","spacegroup":166},{"id":"mp-1228646","created_at":"2022-09-04T14:41:27.241970Z","structure_string":"Ba1 Ge2 Au2\n1.0\n-2.365206 2.365206 5.331569\n2.365206 -2.365206 5.331569\n2.365206 2.365206 -5.331569\nBa Ge Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.624412 0.624412 0.000000 Ge\n0.375588 0.375588 0.000000 Ge\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n","nsites":5,"nelements":3,"elements":["Ba","Ge","Au"],"chemical_system":"Au-Ba-Ge","density":9.416504008329005,"density_atomic":0.04190993958798819,"volume":119.30344088191075,"volume_molar":14.369242282864102,"formula_full":"Ba1 Ge2 Au2","formula_reduced":"Ba(GeAu)2","formula_anonymous":"AB2C2","energy":-20.16340341,"energy_per_atom":-4.0326806820000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.16340341,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9.32e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.742000Z","spacegroup":139},{"id":"mp-1217284","created_at":"2022-09-04T14:41:27.260202Z","structure_string":"Th1 U1 N2\n1.0\n3.557975 0.000000 0.000000\n0.000000 3.557975 0.000000\n0.000000 0.000000 5.030901\nTh U N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n","nsites":4,"nelements":3,"elements":["Th","U","N"],"chemical_system":"N-Th-U","density":12.986644967118124,"density_atomic":0.06280705583250168,"volume":63.687112012820414,"volume_molar":9.588318828477288,"formula_full":"Th1 U1 N2","formula_reduced":"ThUN2","formula_anonymous":"ABC2","energy":-41.56902205,"energy_per_atom":-10.3922555125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.84702205,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9666207,"is_theoretical":true,"updated_at":"2021-11-28T01:35:20.201000Z","spacegroup":123},{"id":"mp-1201225","created_at":"2022-09-04T14:41:27.262174Z","structure_string":"Np4 Cr6 N8 O32\n1.0\n9.810575 0.000000 0.000000\n-4.261892 9.395481 0.000000\n-0.185382 -1.148861 10.488843\nNp Cr N O\n4 6 8 32\ndirect\n0.797660 0.467778 0.050217 Np\n0.202340 0.532222 0.949783 Np\n0.524071 0.199900 0.304553 Np\n0.475929 0.800100 0.695447 Np\n0.927595 0.263751 0.167933 Cr\n0.072405 0.736249 0.832067 Cr\n0.256913 0.987132 0.542860 Cr\n0.743087 0.012868 0.457140 Cr\n0.419558 0.425361 0.177665 Cr\n0.580442 0.574639 0.822335 Cr\n0.776254 0.672043 0.455733 N\n0.223746 0.327957 0.544267 N\n0.927657 0.062734 0.798169 N\n0.072343 0.937266 0.201831 N\n0.397667 0.127416 0.896588 N\n0.602333 0.872584 0.103412 N\n0.199567 0.633993 0.342707 N\n0.800433 0.366007 0.657293 N\n0.722971 0.332196 0.920539 O\n0.277029 0.667804 0.079461 O\n0.873925 0.598995 0.182886 O\n0.126075 0.401005 0.817114 O\n0.627118 0.351159 0.415588 O\n0.372882 0.648841 0.584412 O\n0.424045 0.065143 0.178390 O\n0.575955 0.934857 0.821610 O\n0.003990 0.403651 0.067879 O\n0.996011 0.596349 0.932121 O\n0.755114 0.273351 0.182957 O\n0.244886 0.726649 0.817043 O\n0.914617 0.114176 0.099217 O\n0.085383 0.885824 0.900783 O\n0.022159 0.301875 0.301421 O\n0.977841 0.698125 0.698579 O\n0.359974 0.105924 0.436143 O\n0.640026 0.894076 0.563857 O\n0.372735 0.921569 0.619616 O\n0.627265 0.078431 0.380384 O\n0.118428 0.856411 0.466883 O\n0.881572 0.143589 0.533117 O\n0.194657 0.065932 0.649213 O\n0.805343 0.934068 0.350787 O\n0.569086 0.386567 0.139032 O\n0.430914 0.613433 0.860968 O\n0.339862 0.304638 0.276368 O\n0.660138 0.695362 0.723632 O\n0.303725 0.411651 0.045933 O\n0.696275 0.588349 0.954067 O\n0.478236 0.582267 0.250840 O\n0.521764 0.417733 0.749160 O\n","nsites":50,"nelements":4,"elements":["Np","Cr","N","O"],"chemical_system":"Cr-N-Np-O","density":3.2358729823962116,"density_atomic":0.05171647773873199,"volume":966.8098483542612,"volume_molar":11.644529989887232,"formula_full":"Np4 Cr6 N8 O32","formula_reduced":"Np2Cr3(NO4)4","formula_anonymous":"A2B3C4D16","energy":-382.37130839,"energy_per_atom":-7.647426167800001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-348.39330839,"band_gap":0.1865999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9989369,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.710000Z","spacegroup":2},{"id":"mp-1297694","created_at":"2022-09-04T14:41:27.268090Z","structure_string":"Mn10 Sn2 O16\n1.0\n-6.153161 -0.026772 0.049170\n-3.000762 9.146238 -4.498385\n-3.053398 -3.114958 -4.593547\nMn Sn O\n10 2 16\ndirect\n0.238193 0.628516 0.872053 Mn\n0.621104 0.808913 0.436723 Mn\n0.136682 0.807872 0.429379 Mn\n0.618714 0.813793 0.951838 Mn\n0.623329 0.070409 0.685974 Mn\n0.239413 0.128533 0.372205 Mn\n0.621833 0.308939 0.936715 Mn\n0.137886 0.307793 0.929217 Mn\n0.619346 0.313742 0.451556 Mn\n0.622524 0.570320 0.185901 Mn\n0.016551 0.991337 0.005239 Sn\n0.016377 0.491197 0.505240 Sn\n0.408440 0.426161 0.308805 O\n0.408522 0.926277 0.808643 O\n0.851961 0.433929 0.328890 O\n0.851488 0.933932 0.829614 O\n0.898944 0.191131 0.041474 O\n0.897683 0.691120 0.542175 O\n0.886952 0.429150 0.835819 O\n0.885570 0.929312 0.335927 O\n0.396169 0.699487 0.050367 O\n0.396617 0.199474 0.550913 O\n0.838708 0.705229 0.066521 O\n0.839712 0.205253 0.565854 O\n0.358946 0.195046 0.036291 O\n0.358211 0.694934 0.535988 O\n0.355562 0.424078 0.825027 O\n0.354563 0.924123 0.325653 O\n","nsites":28,"nelements":3,"elements":["Mn","Sn","O"],"chemical_system":"Mn-O-Sn","density":4.9963670487072465,"density_atomic":0.08079157183413034,"volume":346.5708039136258,"volume_molar":7.453922015979334,"formula_full":"Mn10 Sn2 O16","formula_reduced":"Mn5SnO8","formula_anonymous":"AB5C8","energy":-234.41028922,"energy_per_atom":-8.371796043571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.73828922,"band_gap":0.4004000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.71e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.719000Z","spacegroup":5},{"id":"mp-1099687","created_at":"2022-09-04T14:41:26.684218Z","structure_string":"K4 Na4 Nb3 W5 O24\n1.0\n8.028864 0.000000 0.000000\n0.000000 8.037157 0.000000\n0.000000 0.000000 8.040586\nK Na Nb W O\n4 4 3 5 24\ndirect\n0.250582 0.249454 0.249810 K\n0.250582 0.750546 0.249810 K\n0.749418 0.249454 0.249810 K\n0.749418 0.750546 0.249810 K\n0.250709 0.249398 0.750161 Na\n0.250709 0.750602 0.750161 Na\n0.749291 0.249398 0.750161 Na\n0.749291 0.750602 0.750161 Na\n0.000000 0.500000 0.502081 Nb\n0.500000 0.500000 0.998513 Nb\n0.500000 0.500000 0.501473 Nb\n0.000000 0.000000 0.998990 W\n0.000000 0.000000 0.501469 W\n0.000000 0.500000 0.998791 W\n0.500000 0.000000 0.998449 W\n0.500000 0.000000 0.501402 W\n0.256662 0.000000 0.997235 O\n0.249900 0.000000 0.502894 O\n0.245169 0.500000 0.997258 O\n0.248872 0.500000 0.502821 O\n0.743338 0.000000 0.997235 O\n0.750100 0.000000 0.502894 O\n0.754831 0.500000 0.997258 O\n0.751128 0.500000 0.502821 O\n0.000000 0.261243 0.997096 O\n0.000000 0.246742 0.502723 O\n0.000000 0.738757 0.997096 O\n0.000000 0.753258 0.502723 O\n0.500000 0.253776 0.997085 O\n0.500000 0.245529 0.502694 O\n0.500000 0.746224 0.997085 O\n0.500000 0.754471 0.502694 O\n0.000000 0.000000 0.250875 O\n0.000000 0.000000 0.749632 O\n0.000000 0.500000 0.246321 O\n0.000000 0.500000 0.752471 O\n0.500000 0.000000 0.251273 O\n0.500000 0.000000 0.748874 O\n0.500000 0.500000 0.251681 O\n0.500000 0.500000 0.748210 O\n","nsites":40,"nelements":5,"elements":["K","Na","Nb","W","O"],"chemical_system":"K-Na-Nb-O-W","density":5.857562390878261,"density_atomic":0.0770931402761092,"volume":518.8529077521027,"volume_molar":7.811513110546144,"formula_full":"K4 Na4 Nb3 W5 O24","formula_reduced":"K4Na4Nb3W5O24","formula_anonymous":"A3B4C4D5E24","energy":-320.52396598,"energy_per_atom":-8.0130991495,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-281.84596598,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.000007,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.119000Z","spacegroup":25},{"id":"mp-1186843","created_at":"2022-09-04T14:41:27.115062Z","structure_string":"Pu3 Ru1\n1.0\n-2.012851 2.012851 5.100236\n2.012851 -2.012851 5.100236\n2.012851 2.012851 -5.100236\nPu Ru\n3 1\ndirect\n0.750002 0.250000 0.500002 Pu\n0.250000 0.750002 0.500002 Pu\n0.499999 0.499999 0.000000 Pu\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":2,"elements":["Pu","Ru"],"chemical_system":"Pu-Ru","density":16.736208340463914,"density_atomic":0.0483934375021498,"volume":82.6558353045763,"volume_molar":12.444126870988399,"formula_full":"Pu3 Ru1","formula_reduced":"Pu3Ru","formula_anonymous":"AB3","energy":-51.66648326,"energy_per_atom":-12.916620815,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.66648326,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.2738275,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.459000Z","spacegroup":139},{"id":"mp-760230","created_at":"2022-09-04T14:41:27.124066Z","structure_string":"Bi20 O16 F28\n1.0\n2.888987 -14.403973 0.000000\n2.888987 14.403973 0.000000\n0.000000 0.000000 11.697913\nBi O F\n20 16 28\ndirect\n0.800114 0.701834 0.606814 Bi\n0.208152 0.307537 0.604547 Bi\n0.026628 0.527047 0.613665 Bi\n0.329086 0.030925 0.602592 Bi\n0.565846 0.861157 0.607125 Bi\n0.861157 0.565846 0.392875 Bi\n0.030925 0.329086 0.397408 Bi\n0.527047 0.026628 0.386335 Bi\n0.701834 0.800114 0.393186 Bi\n0.307537 0.208152 0.395453 Bi\n0.201834 0.300114 0.106814 Bi\n0.807537 0.708152 0.104547 Bi\n0.027047 0.526628 0.113665 Bi\n0.361157 0.065846 0.107125 Bi\n0.530925 0.829086 0.102592 Bi\n0.829086 0.530925 0.897408 Bi\n0.065846 0.361157 0.892875 Bi\n0.526628 0.027047 0.886335 Bi\n0.708152 0.807537 0.895453 Bi\n0.300114 0.201834 0.893186 Bi\n0.867282 0.068244 0.510186 O\n0.574834 0.369993 0.505574 O\n0.786691 0.190943 0.512163 O\n0.503612 0.503612 0.500000 O\n0.000974 0.000974 0.500000 O\n0.190943 0.786691 0.487837 O\n0.369993 0.574834 0.494426 O\n0.068244 0.867282 0.489814 O\n0.568244 0.367282 0.010186 O\n0.869993 0.074834 0.005574 O\n0.690943 0.286691 0.012163 O\n0.500974 0.500974 0.000000 O\n0.003612 0.003612 0.000000 O\n0.286691 0.690943 0.987837 O\n0.367282 0.568244 0.989814 O\n0.074834 0.869993 0.994426 O\n0.914946 0.914658 0.751937 F\n0.414946 0.414658 0.748063 F\n0.510305 0.683694 0.721503 F\n0.163082 0.991485 0.715323 F\n0.171277 0.515342 0.690221 F\n0.997616 0.654911 0.693684 F\n0.396146 0.895150 0.689406 F\n0.691622 0.289930 0.518271 F\n0.289930 0.691622 0.481729 F\n0.895150 0.396146 0.310594 F\n0.654911 0.997616 0.306316 F\n0.515342 0.171277 0.309779 F\n0.991485 0.163082 0.284677 F\n0.683694 0.510305 0.278497 F\n0.914658 0.914946 0.248063 F\n0.414658 0.414946 0.251937 F\n0.183694 0.010305 0.221503 F\n0.491485 0.663082 0.215323 F\n0.154911 0.497616 0.193684 F\n0.015342 0.671277 0.190221 F\n0.395150 0.896146 0.189406 F\n0.789930 0.191622 0.018271 F\n0.191622 0.789930 0.981729 F\n0.896146 0.395150 0.810594 F\n0.671277 0.015342 0.809779 F\n0.497616 0.154911 0.806316 F\n0.663082 0.491485 0.784677 F\n0.010305 0.183694 0.778497 F\n","nsites":64,"nelements":3,"elements":["Bi","O","F"],"chemical_system":"Bi-F-O","density":8.472769626966299,"density_atomic":0.06573757889092195,"volume":973.5679512352424,"volume_molar":9.160880065255384,"formula_full":"Bi20 O16 F28","formula_reduced":"Bi5O4F7","formula_anonymous":"A4B5C7","energy":-360.27009266,"energy_per_atom":-5.6292201978125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-336.34209266,"band_gap":3.0184,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007566,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.810000Z","spacegroup":41},{"id":"mp-1370485","created_at":"2022-09-04T14:41:27.204384Z","structure_string":"Mg4 Te2 W2 O12\n1.0\n5.312066 0.000000 0.000000\n0.000000 5.091394 0.000000\n0.000000 4.324749 9.373575\nMg Te W O\n4 2 2 12\ndirect\n0.474810 0.228278 0.751675 Mg\n0.974810 0.771722 0.748325 Mg\n0.525190 0.771722 0.248325 Mg\n0.025190 0.228278 0.251675 Mg\n0.500000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.198415 0.455229 0.894495 O\n0.698415 0.544771 0.605505 O\n0.801585 0.544771 0.105505 O\n0.301585 0.455229 0.394495 O\n0.338735 0.751769 0.073589 O\n0.838735 0.248231 0.426411 O\n0.661265 0.248231 0.926411 O\n0.161265 0.751769 0.573589 O\n0.123724 0.180854 0.668602 O\n0.623724 0.819146 0.831398 O\n0.376276 0.180854 0.168602 O\n0.876276 0.819146 0.331398 O\n","nsites":20,"nelements":4,"elements":["Mg","Te","W","O"],"chemical_system":"Mg-O-Te-W","density":5.974240443748696,"density_atomic":0.07889047451919945,"volume":253.51603120516953,"volume_molar":7.633546124170416,"formula_full":"Mg4 Te2 W2 O12","formula_reduced":"Mg2TeWO6","formula_anonymous":"ABC2D6","energy":-141.10854588,"energy_per_atom":-7.055427294,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.98854588,"band_gap":0.6915000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0032118,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.289000Z","spacegroup":14},{"id":"mp-775212","created_at":"2022-09-04T14:41:27.268367Z","structure_string":"Mn2 V4 P6 O24\n1.0\n7.482431 -4.318790 0.000000\n7.482431 4.318790 0.000000\n4.989664 0.000000 7.052799\nMn V P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.856177 0.856177 0.856177 V\n0.643823 0.643823 0.643823 V\n0.356177 0.356177 0.356177 V\n0.143823 0.143823 0.143823 V\n0.541379 0.958621 0.250000 P\n0.250000 0.541379 0.958621 P\n0.958621 0.250000 0.541379 P\n0.041379 0.750000 0.458621 P\n0.750000 0.458621 0.041379 P\n0.458621 0.041379 0.750000 P\n0.495128 0.881578 0.692426 O\n0.881578 0.692426 0.495128 O\n0.735716 0.940938 0.085756 O\n0.692426 0.495128 0.881578 O\n0.381578 0.995128 0.192426 O\n0.559062 0.764284 0.414244 O\n0.085756 0.735716 0.940938 O\n0.414244 0.559062 0.764284 O\n0.004872 0.807574 0.618422 O\n0.764284 0.414244 0.559062 O\n0.059062 0.914244 0.264284 O\n0.807574 0.618422 0.004872 O\n0.192426 0.381578 0.995128 O\n0.940938 0.085756 0.735716 O\n0.235716 0.585756 0.440938 O\n0.995128 0.192426 0.381578 O\n0.585756 0.440938 0.235716 O\n0.914244 0.264284 0.059062 O\n0.440938 0.235716 0.585756 O\n0.618422 0.004872 0.807574 O\n0.307574 0.504872 0.118422 O\n0.264284 0.059062 0.914244 O\n0.118422 0.307574 0.504872 O\n0.504872 0.118422 0.307574 O\n","nsites":36,"nelements":4,"elements":["Mn","V","P","O"],"chemical_system":"Mn-O-P-V","density":3.218434853252838,"density_atomic":0.0789780106843657,"volume":455.82307895641225,"volume_molar":7.62508539758919,"formula_full":"Mn2 V4 P6 O24","formula_reduced":"MnV2(PO4)3","formula_anonymous":"AB2C3D12","energy":-300.15357663000003,"energy_per_atom":-8.337599350833335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-273.52957663,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9994251,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.848000Z","spacegroup":167},{"id":"mp-1245745","created_at":"2022-09-04T14:41:27.274003Z","structure_string":"Mg1 Ti1 N2\n1.0\n1.515015 0.874695 5.011850\n-1.515015 0.874695 5.011850\n0.000000 -1.749389 5.011850\nMg Ti N\n1 1 2\ndirect\n0.000000 0.666667 0.333333 Mg\n0.500000 0.166667 0.833333 Ti\n0.756865 0.423531 0.090198 N\n0.243135 0.909802 0.576469 N\n","nsites":4,"nelements":3,"elements":["Mg","Ti","N"],"chemical_system":"Mg-N-Ti","density":4.174753215010936,"density_atomic":0.10037770576449892,"volume":39.84948619352386,"volume_molar":5.999480376776932,"formula_full":"Mg1 Ti1 N2","formula_reduced":"MgTiN2","formula_anonymous":"ABC2","energy":-32.14060738,"energy_per_atom":-8.035151845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.41860738,"band_gap":0.3650000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.28e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.424000Z","spacegroup":166}]}