{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10145","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10143","results":[{"id":"mp-1215945","created_at":"2022-09-04T14:47:16.252686Z","structure_string":"Y1 Ga3 Cu1\n1.0\n-2.043076 2.043076 5.388041\n2.043076 -2.043076 5.388041\n2.043076 2.043076 -5.388041\nY Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.613406 0.613406 0.000000 Ga\n0.386594 0.386594 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n","nsites":5,"nelements":3,"elements":["Y","Ga","Cu"],"chemical_system":"Cu-Ga-Y","density":6.674867247018419,"density_atomic":0.05557891660526465,"volume":89.96217100652122,"volume_molar":10.835297137529231,"formula_full":"Y1 Ga3 Cu1","formula_reduced":"YGa3Cu","formula_anonymous":"ABC3","energy":-21.980277020000003,"energy_per_atom":-4.396055404,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.980277020000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.487000Z","spacegroup":119},{"id":"mp-849459","created_at":"2022-09-04T14:47:16.269360Z","structure_string":"Li4 Fe2 O4 F2\n1.0\n2.664261 4.364736 -0.015021\n-2.664260 4.364736 0.015049\n-2.068330 0.000015 4.806230\nLi Fe O F\n4 2 4 2\ndirect\n0.257666 0.244494 0.744148 Li\n0.755516 0.742329 0.244152 Li\n0.559156 0.607454 0.777308 Li\n0.392547 0.440844 0.277304 Li\n0.137218 0.066597 0.246146 Fe\n0.933390 0.862788 0.746156 Fe\n0.148764 0.705479 0.499837 O\n0.294529 0.851229 0.999833 O\n0.995567 0.491521 0.004495 O\n0.508475 0.004432 0.504493 O\n0.676457 0.159284 0.978063 F\n0.840713 0.323550 0.478062 F\n","nsites":12,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.5955075492357667,"density_atomic":0.10761381064616433,"volume":111.50985108645732,"volume_molar":5.596066828077375,"formula_full":"Li4 Fe2 O4 F2","formula_reduced":"Li2FeO2F","formula_anonymous":"ABC2D2","energy":-75.63059652,"energy_per_atom":-6.30254971,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.44659652,"band_gap":1.4184,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:00.525000Z","spacegroup":9},{"id":"mp-686601","created_at":"2022-09-04T14:47:16.272878Z","structure_string":"Na6 Mg2 Al2 Si14 O36\n1.0\n4.325703 13.641003 0.000000\n-4.325703 13.641003 0.000000\n0.000000 0.344416 5.304222\nNa Mg Al Si O\n6 2 2 14 36\ndirect\n0.034646 0.632826 0.332231 Na\n0.367174 0.965354 0.667769 Na\n0.697100 0.302900 0.000000 Na\n0.295839 0.704161 0.500000 Na\n0.632873 0.031700 0.835671 Na\n0.968300 0.367127 0.164329 Na\n0.237543 0.429986 0.833155 Mg\n0.570014 0.762457 0.166845 Mg\n0.092702 0.907298 0.000000 Al\n0.902308 0.097692 0.500000 Al\n0.143573 0.328687 0.541347 Si\n0.001302 0.194699 0.786636 Si\n0.478772 0.661792 0.874278 Si\n0.338208 0.521228 0.125722 Si\n0.805301 0.998698 0.213364 Si\n0.330277 0.144388 0.050725 Si\n0.427073 0.239143 0.332803 Si\n0.671313 0.856428 0.458653 Si\n0.184654 0.006822 0.288436 Si\n0.664536 0.475349 0.387969 Si\n0.760857 0.572927 0.667197 Si\n0.524651 0.335464 0.612031 Si\n0.993178 0.815346 0.711564 Si\n0.855612 0.669723 0.949275 Si\n0.103097 0.132493 0.521412 O\n0.230066 0.362700 0.500449 O\n0.443279 0.450972 0.858451 O\n0.284651 0.807685 0.864978 O\n0.143095 0.624848 0.685399 O\n0.565121 0.695342 0.828807 O\n0.206685 0.230221 0.811598 O\n0.032881 0.897054 0.697079 O\n0.769779 0.793315 0.188402 O\n0.304658 0.434879 0.171193 O\n0.121744 0.114088 0.024230 O\n0.192315 0.715349 0.135022 O\n0.610074 0.140150 0.191833 O\n0.044741 0.522983 0.984214 O\n0.477017 0.955259 0.015786 O\n0.880395 0.044629 0.193188 O\n0.549028 0.556721 0.141549 O\n0.382024 0.214387 0.058007 O\n0.637300 0.769934 0.499551 O\n0.463498 0.443987 0.354322 O\n0.102946 0.967119 0.302921 O\n0.526951 0.053199 0.473926 O\n0.946801 0.473049 0.526074 O\n0.375152 0.856905 0.314601 O\n0.808069 0.283071 0.361544 O\n0.867507 0.896903 0.478588 O\n0.719224 0.542673 0.391796 O\n0.222011 0.204967 0.310809 O\n0.955371 0.119605 0.806812 O\n0.795033 0.777989 0.689191 O\n0.457327 0.280776 0.608204 O\n0.859850 0.389926 0.808167 O\n0.716929 0.191931 0.638456 O\n0.556013 0.536502 0.645678 O\n0.785613 0.617976 0.941993 O\n0.885912 0.878256 0.975770 O\n","nsites":60,"nelements":5,"elements":["Na","Mg","Al","Si","O"],"chemical_system":"Al-Mg-Na-O-Si","density":3.208983277710944,"density_atomic":0.09585098054835632,"volume":625.9716870578106,"volume_molar":6.282816018728011,"formula_full":"Na6 Mg2 Al2 Si14 O36","formula_reduced":"Na3MgAlSi7O18","formula_anonymous":"ABC3D7E18","energy":-457.4519138,"energy_per_atom":-7.624198563333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-432.7199138,"band_gap":4.810500000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021152,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.720000Z","spacegroup":5},{"id":"mp-1039936","created_at":"2022-09-04T14:47:16.280276Z","structure_string":"Na1 Ce1 Mg30 O32\n1.0\n8.627565 0.000000 0.000000\n0.000000 8.627565 0.000000\n0.000000 0.000000 8.624906\nNa Ce Mg O\n1 1 30 32\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ce\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\n0.259932 0.259932 0.000000 Mg\n0.740068 0.259932 0.000000 Mg\n0.259932 0.740068 0.000000 Mg\n0.740068 0.740068 0.000000 Mg\n0.251736 0.251736 0.500000 Mg\n0.748264 0.251736 0.500000 Mg\n0.251736 0.748264 0.500000 Mg\n0.748264 0.748264 0.500000 Mg\n0.258891 0.000000 0.257519 Mg\n0.741109 0.000000 0.257519 Mg\n0.252592 0.500000 0.249438 Mg\n0.747408 0.500000 0.249438 Mg\n0.258891 0.000000 0.742481 Mg\n0.741109 0.000000 0.742481 Mg\n0.252592 0.500000 0.750562 Mg\n0.747408 0.500000 0.750562 Mg\n0.000000 0.258891 0.257519 Mg\n0.500000 0.252592 0.249438 Mg\n0.000000 0.741109 0.257519 Mg\n0.500000 0.747408 0.249438 Mg\n0.000000 0.258891 0.742481 Mg\n0.500000 0.252592 0.750562 Mg\n0.000000 0.741109 0.742481 Mg\n0.500000 0.747408 0.750562 Mg\n0.000000 0.000000 0.265299 O\n0.500000 0.000000 0.254649 O\n0.000000 0.500000 0.254649 O\n0.500000 0.500000 0.263296 O\n0.000000 0.000000 0.734701 O\n0.500000 0.000000 0.745351 O\n0.000000 0.500000 0.745351 O\n0.500000 0.500000 0.736704 O\n0.248791 0.248791 0.249234 O\n0.751209 0.248791 0.249234 O\n0.248791 0.751209 0.249234 O\n0.751209 0.751209 0.249234 O\n0.248791 0.248791 0.750766 O\n0.751209 0.248791 0.750766 O\n0.248791 0.751209 0.750766 O\n0.751209 0.751209 0.750766 O\n0.263237 0.000000 0.000000 O\n0.736763 0.000000 0.000000 O\n0.238861 0.500000 0.000000 O\n0.761139 0.500000 0.000000 O\n0.251449 0.000000 0.500000 O\n0.748551 0.000000 0.500000 O\n0.247371 0.500000 0.500000 O\n0.752629 0.500000 0.500000 O\n0.000000 0.263237 0.000000 O\n0.500000 0.238861 0.000000 O\n0.000000 0.736763 0.000000 O\n0.500000 0.761139 0.000000 O\n0.000000 0.251449 0.500000 O\n0.500000 0.247371 0.500000 O\n0.000000 0.748551 0.500000 O\n0.500000 0.752629 0.500000 O\n","nsites":64,"nelements":4,"elements":["Na","Ce","Mg","O"],"chemical_system":"Ce-Mg-Na-O","density":3.6321060942016508,"density_atomic":0.09968943246449175,"volume":641.9938243985498,"volume_molar":6.040901839966859,"formula_full":"Na1 Ce1 Mg30 O32","formula_reduced":"NaCeMg30O32","formula_anonymous":"ABC30D32","energy":-405.66677146,"energy_per_atom":-6.3385433040625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-383.68277146,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9945033,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.228000Z","spacegroup":123},{"id":"mp-1079118","created_at":"2022-09-04T14:47:16.282543Z","structure_string":"Ir1 Br6 O2\n1.0\n0.000000 4.797246 4.797246\n4.797246 0.000000 4.797246\n4.797246 4.797246 0.000000\nIr Br O\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ir\n0.746448 0.746448 0.253552 Br\n0.253552 0.746448 0.253552 Br\n0.746448 0.253552 0.253552 Br\n0.253552 0.253552 0.746448 Br\n0.746448 0.253552 0.746448 Br\n0.253552 0.746448 0.746448 Br\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n","nsites":9,"nelements":3,"elements":["Ir","Br","O"],"chemical_system":"Br-Ir-O","density":5.291679470518799,"density_atomic":0.04076022245380549,"volume":220.80350543228533,"volume_molar":14.774553222384966,"formula_full":"Ir1 Br6 O2","formula_reduced":"Ir(Br3O)2","formula_anonymous":"AB2C6","energy":-22.79308709,"energy_per_atom":-2.5325652322222223,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.41908709,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0017476,"is_theoretical":false,"updated_at":"2021-11-28T01:38:04.367000Z","spacegroup":225},{"id":"mp-19190","created_at":"2022-09-04T14:47:16.283257Z","structure_string":"Sr2 Ni2 O4\n1.0\n3.513581 0.000000 -0.768985\n0.000000 4.059795 0.000000\n-0.010445 0.000000 8.363747\nSr Ni O\n2 2 4\ndirect\n0.331518 0.750000 0.663037 Sr\n0.668482 0.249999 0.336964 Sr\n0.061367 0.750000 0.122737 Ni\n0.938633 0.249999 0.877264 Ni\n0.179489 0.750000 0.358978 O\n0.820511 0.249999 0.641022 O\n0.943783 0.750000 0.887569 O\n0.056214 0.249999 0.112432 O\n","nsites":8,"nelements":3,"elements":["Sr","Ni","O"],"chemical_system":"Ni-O-Sr","density":4.965053228046559,"density_atomic":0.06707392860504585,"volume":119.27137960125648,"volume_molar":8.97836295747699,"formula_full":"Sr2 Ni2 O4","formula_reduced":"SrNiO2","formula_anonymous":"ABC2","energy":-50.88001261,"energy_per_atom":-6.36000157625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.05001261,"band_gap":1.8686,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9989825,"is_theoretical":false,"updated_at":"2021-11-28T01:38:01.603000Z","spacegroup":63},{"id":"mp-780658","created_at":"2022-09-04T14:47:16.285252Z","structure_string":"Li2 Mn6 P12 O40\n1.0\n5.156490 -6.900006 0.000000\n5.156490 6.900006 0.000000\n0.000000 0.000000 12.315182\nLi Mn P O\n2 6 12 40\ndirect\n0.104662 0.104662 0.000000 Li\n0.604662 0.604662 0.500000 Li\n0.380109 0.380109 0.000000 Mn\n0.770477 0.323647 0.786884 Mn\n0.323647 0.770477 0.213116 Mn\n0.823647 0.270477 0.286884 Mn\n0.270477 0.823647 0.713116 Mn\n0.880109 0.880109 0.500000 Mn\n0.137801 0.407836 0.696375 P\n0.407836 0.137801 0.303625 P\n0.220684 0.356364 0.218244 P\n0.356364 0.220684 0.781756 P\n0.757979 0.373794 0.053540 P\n0.373794 0.757979 0.946460 P\n0.873794 0.257979 0.553540 P\n0.257979 0.873794 0.446460 P\n0.907836 0.637801 0.196375 P\n0.637801 0.907836 0.803625 P\n0.856364 0.720684 0.718244 P\n0.720684 0.856364 0.281756 P\n0.014160 0.327315 0.779867 O\n0.327315 0.014160 0.220133 O\n0.347961 0.064034 0.724784 O\n0.064034 0.347961 0.275216 O\n0.058719 0.370739 0.576911 O\n0.370739 0.058719 0.423089 O\n0.258120 0.204926 0.889383 O\n0.204926 0.258120 0.110617 O\n0.318931 0.278461 0.305792 O\n0.278461 0.318931 0.694208 O\n0.085568 0.720095 0.201250 O\n0.220095 0.585568 0.701250 O\n0.720095 0.085568 0.798750 O\n0.585568 0.220095 0.298750 O\n0.326838 0.527209 0.192069 O\n0.527209 0.326838 0.807932 O\n0.027209 0.826838 0.692069 O\n0.826838 0.027209 0.307931 O\n0.372228 0.583264 0.929484 O\n0.083264 0.872228 0.429484 O\n0.872228 0.083264 0.570516 O\n0.583264 0.372228 0.070516 O\n0.311558 0.757543 0.368319 O\n0.757543 0.311558 0.631681 O\n0.257543 0.811558 0.868319 O\n0.811558 0.257543 0.131681 O\n0.306310 0.835323 0.558958 O\n0.806310 0.335323 0.941042 O\n0.835323 0.306310 0.441042 O\n0.335323 0.806310 0.058958 O\n0.827315 0.514160 0.279867 O\n0.514160 0.827315 0.720133 O\n0.847961 0.564034 0.775216 O\n0.564034 0.847961 0.224784 O\n0.558719 0.870739 0.923089 O\n0.870739 0.558719 0.076911 O\n0.704926 0.758120 0.389383 O\n0.758120 0.704926 0.610617 O\n0.778461 0.818931 0.805792 O\n0.818931 0.778461 0.194208 O\n","nsites":60,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.567845271006232,"density_atomic":0.068466286334655,"volume":876.3437191076379,"volume_molar":8.795775384346827,"formula_full":"Li2 Mn6 P12 O40","formula_reduced":"LiMn3(P3O10)2","formula_anonymous":"AB3C6D20","energy":-469.67254334,"energy_per_atom":-7.827875722333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-432.18454334,"band_gap":0.0202,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.971000Z","spacegroup":41},{"id":"mp-1094106","created_at":"2022-09-04T14:47:16.286120Z","structure_string":"Na8 Zn8 S12\n1.0\n7.457378 0.000000 0.000000\n0.000000 7.457378 0.000000\n0.000000 0.000000 11.273260\nNa Zn S\n8 8 12\ndirect\n0.965234 0.244659 0.396599 Na\n0.034766 0.755341 0.896599 Na\n0.744659 0.534766 0.646599 Na\n0.255341 0.465234 0.146599 Na\n0.755341 0.034766 0.103401 Na\n0.244659 0.965234 0.603401 Na\n0.534766 0.744659 0.353401 Na\n0.465234 0.255341 0.853401 Na\n0.237218 0.951789 0.134948 Zn\n0.762782 0.048211 0.634948 Zn\n0.451789 0.262782 0.384948 Zn\n0.548211 0.737218 0.884948 Zn\n0.048211 0.762782 0.365052 Zn\n0.951789 0.237218 0.865052 Zn\n0.262782 0.451789 0.615052 Zn\n0.737218 0.548211 0.115052 Zn\n0.518148 0.240053 0.588873 S\n0.481852 0.759947 0.088873 S\n0.740053 0.981852 0.838873 S\n0.259947 0.018148 0.338873 S\n0.759947 0.481852 0.911127 S\n0.240053 0.518148 0.411127 S\n0.981852 0.740053 0.161127 S\n0.018148 0.259947 0.661127 S\n0.678533 0.321467 0.250000 S\n0.321467 0.678533 0.750000 S\n0.821467 0.821467 0.500000 S\n0.178533 0.178533 0.000000 S\n","nsites":28,"nelements":3,"elements":["Na","Zn","S"],"chemical_system":"Na-S-Zn","density":2.892264639823747,"density_atomic":0.0446617970288086,"volume":626.9340210815725,"volume_molar":13.48387472209299,"formula_full":"Na8 Zn8 S12","formula_reduced":"Na2Zn2S3","formula_anonymous":"A2B2C3","energy":-101.43482642,"energy_per_atom":-3.622672372142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.39882642,"band_gap":2.0356,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.300000Z","spacegroup":96},{"id":"mp-1336819","created_at":"2022-09-04T14:47:16.334797Z","structure_string":"Na12 Zr8 Si8 P4 O48\n1.0\n-9.245642 0.000000 0.000000\n4.585176 8.165762 0.000000\n-0.007655 -5.156293 -15.135063\nNa Zr Si P O\n12 8 8 4 48\ndirect\n0.150380 0.956664 0.977404 Na\n0.202355 0.897089 0.665625 Na\n0.686863 0.935696 0.813642 Na\n0.788737 0.538166 0.684400 Na\n0.310766 0.668713 0.558566 Na\n0.263256 0.402835 0.874677 Na\n0.697813 0.339019 0.446534 Na\n0.212440 0.456344 0.317997 Na\n0.748866 0.276843 0.236921 Na\n0.304623 0.061440 0.191371 Na\n0.806092 0.174840 0.051894 Na\n0.730450 0.836353 0.376409 Na\n0.784797 0.635911 0.934065 Zr\n0.460922 0.107334 0.826178 Zr\n0.283013 0.139614 0.433311 Zr\n0.961943 0.615896 0.318828 Zr\n0.027224 0.378999 0.673553 Zr\n0.728809 0.873409 0.575085 Zr\n0.524889 0.874423 0.172828 Zr\n0.227486 0.374614 0.072575 Zr\n0.018698 0.978155 0.768636 Si\n0.588055 0.124027 0.627217 Si\n0.521565 0.770201 0.978476 Si\n0.978103 0.725562 0.519520 Si\n0.520530 0.474373 0.267462 Si\n0.085894 0.622678 0.126039 Si\n0.015760 0.273727 0.477044 Si\n0.483747 0.227974 0.024797 Si\n0.909618 0.373739 0.872938 P\n0.486887 0.523810 0.733927 P\n0.413803 0.878911 0.373114 P\n0.979998 0.026786 0.232868 P\n0.493255 0.354824 0.753253 O\n0.423767 0.136141 0.940655 O\n0.932774 0.868053 0.856876 O\n0.737948 0.217467 0.863380 O\n0.209315 0.998842 0.781947 O\n0.915118 0.890336 0.681705 O\n0.479639 0.179378 0.534813 O\n0.495190 0.065309 0.712106 O\n0.467259 0.886552 0.890063 O\n0.140936 0.908968 0.504257 O\n0.814892 0.741125 0.530043 O\n0.882114 0.519122 0.879566 O\n0.610890 0.964814 0.620888 O\n0.969373 0.849631 0.250567 O\n0.682886 0.761886 0.962105 O\n0.364442 0.582379 0.992259 O\n0.044754 0.625385 0.613530 O\n0.921505 0.637350 0.434606 O\n0.999620 0.430675 0.792421 O\n0.432691 0.362888 0.355398 O\n0.021681 0.320965 0.956865 O\n0.238310 0.730145 0.354986 O\n0.705329 0.477756 0.284045 O\n0.405978 0.388205 0.181944 O\n0.586509 0.611861 0.813347 O\n0.303381 0.502292 0.718985 O\n0.772310 0.287592 0.636904 O\n0.979269 0.689596 0.038061 O\n0.561160 0.628368 0.647481 O\n0.000595 0.554207 0.215007 O\n0.075237 0.369270 0.559794 O\n0.952593 0.382607 0.386477 O\n0.639846 0.410056 0.003384 O\n0.309735 0.225303 0.035832 O\n0.023372 0.161826 0.751502 O\n0.391609 0.027738 0.379707 O\n0.107354 0.467763 0.113532 O\n0.174567 0.261883 0.459407 O\n0.854385 0.090564 0.494514 O\n0.552112 0.124798 0.117545 O\n0.512939 0.940182 0.294959 O\n0.514015 0.816337 0.458627 O\n0.089555 0.108746 0.313050 O\n0.801438 0.015591 0.222152 O\n0.271556 0.784599 0.141979 O\n0.053489 0.126005 0.146407 O\n0.576586 0.857176 0.064737 O\n0.535644 0.662400 0.255332 O\n","nsites":80,"nelements":5,"elements":["Na","Zr","Si","P","O"],"chemical_system":"Na-O-P-Si-Zr","density":3.0840497129621114,"density_atomic":0.0700119159939656,"volume":1142.6626291286655,"volume_molar":8.601593992255626,"formula_full":"Na12 Zr8 Si8 P4 O48","formula_reduced":"Na3Zr2Si2PO12","formula_anonymous":"AB2C2D3E12","energy":-534.9719818599999,"energy_per_atom":-6.687149773249999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-501.99598186,"band_gap":0.1815999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0138667,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.978000Z","spacegroup":1},{"id":"mp-1091413","created_at":"2022-09-04T14:47:16.344129Z","structure_string":"Cd1 Cu2 Sn1 Te4\n1.0\n-3.143319 3.143319 6.264220\n3.143319 -3.143319 6.264220\n3.143319 3.143319 -6.264220\nCd Cu Sn Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.890418 0.393905 0.000000 Te\n0.393905 0.890418 0.000000 Te\n0.109582 0.109582 0.503487 Te\n0.606095 0.606095 0.496513 Te\n","nsites":8,"nelements":4,"elements":["Cd","Cu","Sn","Te"],"chemical_system":"Cd-Cu-Sn-Te","density":5.826013865948912,"density_atomic":0.032313654603447824,"volume":247.57335863664306,"volume_molar":18.63652017669783,"formula_full":"Cd1 Cu2 Sn1 Te4","formula_reduced":"CdCu2SnTe4","formula_anonymous":"ABC2D4","energy":-29.14028266,"energy_per_atom":-3.6425353325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.45228266,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.00186,"is_theoretical":false,"updated_at":"2021-11-28T01:38:04.677000Z","spacegroup":121},{"id":"mp-531655","created_at":"2022-09-04T14:47:16.652460Z","structure_string":"Ti8 Fe16 O32\n1.0\n3.015666 5.396759 0.000000\n-3.015666 5.396759 0.000000\n0.000000 2.880359 19.948599\nTi Fe O\n8 16 32\ndirect\n0.835611 0.835611 0.969044 Ti\n0.369713 0.369713 0.871681 Ti\n0.121134 0.121134 0.620631 Ti\n0.244030 0.244030 0.746692 Ti\n0.874291 0.874291 0.369480 Ti\n0.994135 0.994135 0.496117 Ti\n0.606680 0.606680 0.125040 Ti\n0.747800 0.747800 0.244614 Ti\n0.496650 0.496650 0.001341 Fe\n0.584529 0.584529 0.722614 Fe\n0.368235 0.877759 0.877074 Fe\n0.877759 0.368235 0.877074 Fe\n0.336048 0.336048 0.471177 Fe\n0.125115 0.625575 0.625648 Fe\n0.912201 0.912201 0.779582 Fe\n0.088139 0.088139 0.218619 Fe\n0.625575 0.125115 0.625648 Fe\n0.878387 0.377601 0.374583 Fe\n0.663235 0.663235 0.527404 Fe\n0.377601 0.878387 0.374583 Fe\n0.626300 0.126028 0.123295 Fe\n0.415713 0.415713 0.283319 Fe\n0.126028 0.626300 0.123295 Fe\n0.164962 0.164962 0.032295 Fe\n0.678739 0.177138 0.935003 O\n0.540219 0.540219 0.825739 O\n0.177138 0.678739 0.935003 O\n0.679652 0.679652 0.939995 O\n0.412263 0.963815 0.688674 O\n0.086470 0.086470 0.808610 O\n0.208842 0.208842 0.930253 O\n0.963815 0.412263 0.688674 O\n0.532180 0.089002 0.813028 O\n0.290980 0.290980 0.572661 O\n0.412994 0.412994 0.693414 O\n0.089002 0.532180 0.813028 O\n0.165112 0.716352 0.437710 O\n0.838364 0.838364 0.557690 O\n0.959876 0.959876 0.679151 O\n0.286521 0.839620 0.563029 O\n0.042307 0.042307 0.320393 O\n0.716352 0.165112 0.437710 O\n0.163921 0.163921 0.441557 O\n0.839620 0.286521 0.563029 O\n0.912145 0.470011 0.187687 O\n0.591398 0.591398 0.308535 O\n0.713446 0.713446 0.428326 O\n0.470011 0.912145 0.187687 O\n0.037515 0.591444 0.312581 O\n0.803494 0.803494 0.060575 O\n0.913953 0.913953 0.189759 O\n0.591444 0.037515 0.312581 O\n0.332040 0.332040 0.064365 O\n0.800777 0.332939 0.069957 O\n0.456599 0.456599 0.182786 O\n0.332939 0.800777 0.069957 O\n","nsites":56,"nelements":3,"elements":["Ti","Fe","O"],"chemical_system":"Fe-O-Ti","density":4.573661668208091,"density_atomic":0.08624409452929498,"volume":649.3198207441112,"volume_molar":6.982670283533939,"formula_full":"Ti8 Fe16 O32","formula_reduced":"Ti(FeO2)2","formula_anonymous":"AB2C4","energy":-488.66439723,"energy_per_atom":-8.726149950535715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-430.58439723,"band_gap":1.4074999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":64.0004296,"is_theoretical":true,"updated_at":"2021-11-28T01:38:02.611000Z","spacegroup":8},{"id":"mp-1042547","created_at":"2022-09-04T14:47:16.662723Z","structure_string":"Sr4 Y2 Fe2 Cu4 O14\n1.0\n-2.714005 2.762309 11.661157\n2.714005 -2.762309 11.661157\n2.714005 2.762309 -11.661157\nSr Y Fe Cu O\n4 2 2 4 14\ndirect\n0.134750 0.638975 0.472082 Sr\n0.865250 0.337332 0.504225 Sr\n0.666893 0.138975 0.504225 Sr\n0.333107 0.837332 0.472082 Sr\n0.500000 0.984708 0.484708 Y\n0.000000 0.484708 0.484708 Y\n0.683688 0.776040 0.959727 Fe\n0.316312 0.276040 0.092352 Fe\n0.071947 0.054324 0.984715 Cu\n0.928053 0.912769 0.982378 Cu\n0.569609 0.554324 0.982378 Cu\n0.430391 0.412769 0.984715 Cu\n0.358786 0.634751 0.493537 O\n0.641214 0.134751 0.275964 O\n0.817899 0.300775 0.995922 O\n0.182101 0.178023 0.482876 O\n0.804853 0.800775 0.482876 O\n0.195147 0.678023 0.995922 O\n0.308081 0.791400 0.972528 O\n0.691919 0.664447 0.483318 O\n0.318872 0.291400 0.483318 O\n0.681128 0.164447 0.972528 O\n0.719107 0.636542 0.005094 O\n0.280893 0.285987 0.917435 O\n0.131448 0.136542 0.917435 O\n0.868552 0.785987 0.005094 O\n","nsites":26,"nelements":5,"elements":["Sr","Y","Fe","Cu","O"],"chemical_system":"Cu-Fe-O-Sr-Y","density":5.309669206142082,"density_atomic":0.07435134210064663,"volume":349.6910649548837,"volume_molar":8.099572367971586,"formula_full":"Sr4 Y2 Fe2 Cu4 O14","formula_reduced":"Sr2YFeCu2O7","formula_anonymous":"ABC2D2E7","energy":-183.49345348,"energy_per_atom":-7.057440518461538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-169.36345348,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9178763,"is_theoretical":true,"updated_at":"2021-11-28T01:37:59.875000Z","spacegroup":46}]}