{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=80","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=78","results":[{"id":"mp-32899","created_at":"2022-09-04T14:39:10.102544Z","structure_string":"Li22 S11\n1.0\n3.996357 0.000181 -0.000004\n1.998335 3.460856 -0.000004\n21.980393 12.690386 36.751074\nLi S\n22 11\ndirect\n0.526207 0.526207 0.038355 Li\n0.522153 0.522153 0.130343 Li\n0.751922 0.751922 0.067654 Li\n0.755206 0.755206 0.157680 Li\n0.533199 0.533199 0.218222 Li\n0.237722 0.237722 0.298802 Li\n0.742194 0.742194 0.252130 Li\n0.246172 0.246172 0.387411 Li\n0.248121 0.248121 0.477795 Li\n0.746527 0.746527 0.341850 Li\n0.748152 0.748152 0.432323 Li\n0.248464 0.248464 0.568597 Li\n0.749658 0.749658 0.522811 Li\n0.248538 0.248538 0.659494 Li\n0.749907 0.749907 0.613655 Li\n0.248382 0.248382 0.750432 Li\n0.749890 0.749890 0.704561 Li\n0.247615 0.247615 0.841558 Li\n0.749709 0.749709 0.795515 Li\n0.239387 0.239387 0.934718 Li\n0.747729 0.747729 0.886990 Li\n0.754732 0.754732 0.976021 Li\n0.986841 0.986841 0.003543 S\n0.986737 0.986737 0.094509 S\n0.986134 0.986134 0.185610 S\n0.997146 0.997146 0.364401 S\n0.995766 0.995766 0.273883 S\n0.000574 0.000574 0.454396 S\n0.001668 0.001668 0.635919 S\n0.001578 0.001578 0.726828 S\n0.001500 0.001500 0.545042 S\n0.001080 0.001080 0.817875 S\n0.999389 0.999389 0.909262 S\n","nsites":33,"nelements":2,"elements":["Li","S"],"chemical_system":"Li-S","density":1.651171226497653,"density_atomic":0.06492427502296341,"volume":508.2844589073664,"volume_molar":9.275638053516957,"formula_full":"Li22 S11","formula_reduced":"Li2S","formula_anonymous":"AB2","energy":-134.64237630999995,"energy_per_atom":-4.0800720093939375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.10937631,"band_gap":1.8754,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.95e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.897000Z","spacegroup":160},{"id":"mp-1113576","created_at":"2022-09-04T14:39:10.103854Z","structure_string":"Cs2 Ag1 Au1 F6\n1.0\n0.000000 4.546441 4.546441\n4.546441 0.000000 4.546441\n4.546441 4.546441 0.000000\nCs Ag Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.754041 0.245959 0.245959 F\n0.245959 0.245959 0.754041 F\n0.245959 0.754041 0.754041 F\n0.245959 0.754041 0.245959 F\n0.754041 0.245959 0.754041 F\n0.754041 0.754041 0.245959 F\n","nsites":10,"nelements":4,"elements":["Cs","Ag","Au","F"],"chemical_system":"Ag-Au-Cs-F","density":6.048730197467282,"density_atomic":0.053205352605043076,"volume":187.95101451977123,"volume_molar":11.318674654228662,"formula_full":"Cs2 Ag1 Au1 F6","formula_reduced":"Cs2AgAuF6","formula_anonymous":"ABC2D6","energy":-39.71140751,"energy_per_atom":-3.971140751,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.93940751,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026923,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.476000Z","spacegroup":225},{"id":"mp-1250148","created_at":"2022-09-04T14:39:08.665780Z","structure_string":"Na5 Si6 O18\n1.0\n7.456287 0.377176 2.315567\n3.530085 7.085238 2.617486\n0.585633 0.897920 9.547251\nNa Si O\n5 6 18\ndirect\n0.000000 0.500000 0.500000 Na\n0.904714 0.324368 0.007953 Na\n0.673684 0.055137 0.515277 Na\n0.095286 0.675632 0.992047 Na\n0.326316 0.944863 0.484723 Na\n0.188876 0.809194 0.259482 Si\n0.811124 0.190806 0.740518 Si\n0.647936 0.580140 0.271170 Si\n0.433070 0.387265 0.237897 Si\n0.352064 0.419860 0.728830 Si\n0.566930 0.612735 0.762103 Si\n0.622932 0.394622 0.270754 O\n0.377068 0.605378 0.729246 O\n0.086164 0.999816 0.118321 O\n0.008749 0.877748 0.403129 O\n0.913836 0.000184 0.881679 O\n0.991251 0.122252 0.596871 O\n0.413660 0.771571 0.273045 O\n0.221296 0.601670 0.245838 O\n0.586340 0.228429 0.726955 O\n0.778704 0.398330 0.754162 O\n0.826016 0.610369 0.128247 O\n0.410911 0.194341 0.342325 O\n0.508737 0.595910 0.956619 O\n0.256805 0.467331 0.584327 O\n0.491263 0.404090 0.043381 O\n0.743195 0.532669 0.415673 O\n0.589089 0.805659 0.657675 O\n0.173984 0.389631 0.871753 O\n","nsites":29,"nelements":3,"elements":["Na","Si","O"],"chemical_system":"Na-O-Si","density":2.0084991675566126,"density_atomic":0.06138206916037099,"volume":472.4506748743288,"volume_molar":9.810911952586908,"formula_full":"Na5 Si6 O18","formula_reduced":"Na5(SiO3)6","formula_anonymous":"A5B6C18","energy":-193.33914851,"energy_per_atom":-6.66686719,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.96914851,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0001427,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.757000Z","spacegroup":2},{"id":"mp-1273193","created_at":"2022-09-04T14:39:11.332054Z","structure_string":"Sr8 Co4 O16\n1.0\n-3.435110 -3.687423 2.148407\n4.051619 -3.687442 -0.012303\n3.048994 7.336596 10.564557\nSr Co O\n8 4 16\ndirect\n0.069453 0.573546 0.143406 Sr\n0.569435 0.073526 0.143406 Sr\n0.323559 0.319421 0.643395 Sr\n0.823544 0.819407 0.643392 Sr\n0.680582 0.676444 0.356605 Sr\n0.180597 0.176459 0.356608 Sr\n0.926472 0.430562 0.856595 Sr\n0.426451 0.930545 0.856594 Sr\n0.486970 0.513007 0.000000 Co\n0.263062 0.736962 0.500000 Co\n0.986997 0.012979 0.000000 Co\n0.763038 0.236986 0.500000 Co\n0.167864 0.673845 0.341334 O\n0.667874 0.173846 0.341344 O\n0.423775 0.417789 0.841308 O\n0.923775 0.917800 0.841322 O\n0.582217 0.576231 0.158692 O\n0.082206 0.076231 0.158678 O\n0.826148 0.332120 0.658656 O\n0.326149 0.832129 0.658666 O\n0.257530 0.242448 0.000000 O\n0.757558 0.742476 0.000000 O\n0.492402 0.007611 0.500000 O\n0.992382 0.507592 0.500001 O\n0.253274 0.746736 0.000000 O\n0.753269 0.246741 0.000000 O\n0.496704 0.503286 0.500000 O\n0.996714 0.003277 0.500000 O\n","nsites":28,"nelements":3,"elements":["Sr","Co","O"],"chemical_system":"Co-O-Sr","density":5.218728395957772,"density_atomic":0.07378167905300476,"volume":379.49800491643464,"volume_molar":8.162108584806933,"formula_full":"Sr8 Co4 O16","formula_reduced":"Sr2CoO4","formula_anonymous":"AB2C4","energy":-185.65979215,"energy_per_atom":-6.630706862499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.11579215,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.8519948,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.795000Z","spacegroup":59},{"id":"mp-1225872","created_at":"2022-09-04T14:39:10.108249Z","structure_string":"Er4 Ni1 Sn8\n1.0\n0.000000 0.000000 4.390375\n4.386006 0.000000 0.000000\n0.000000 16.910116 0.000000\nEr Ni Sn\n4 1 8\ndirect\n0.250000 0.000000 0.095550 Er\n0.250000 0.500000 0.601938 Er\n0.750000 0.500000 0.395994 Er\n0.750000 0.000000 0.898842 Er\n0.250000 0.000000 0.309155 Ni\n0.250000 0.500000 0.233648 Sn\n0.250000 0.000000 0.745014 Sn\n0.750000 0.000000 0.235437 Sn\n0.750000 0.500000 0.754731 Sn\n0.250000 0.000000 0.454645 Sn\n0.250000 0.500000 0.934172 Sn\n0.750000 0.500000 0.057070 Sn\n0.750000 0.000000 0.571803 Sn\n","nsites":13,"nelements":3,"elements":["Er","Ni","Sn"],"chemical_system":"Er-Ni-Sn","density":8.554029525382514,"density_atomic":0.03992325358991485,"volume":325.62476329043415,"volume_molar":15.084293534435965,"formula_full":"Er4 Ni1 Sn8","formula_reduced":"Er4NiSn8","formula_anonymous":"AB4C8","energy":-62.93833457000001,"energy_per_atom":-4.841410351538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.93833457000001,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010211,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.804000Z","spacegroup":25},{"id":"mp-1024999","created_at":"2022-09-04T14:39:10.110697Z","structure_string":"Ho1 Cr2 Si2 C1\n1.0\n3.961089 0.000000 0.000000\n0.000000 3.961089 0.000000\n0.000000 0.000000 5.217658\nHo Cr Si C\n1 2 2 1\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.270764 Si\n0.500000 0.500000 0.729236 Si\n0.000000 0.000000 0.000000 C\n","nsites":6,"nelements":4,"elements":["Ho","Cr","Si","C"],"chemical_system":"C-Cr-Ho-Si","density":6.837675345745144,"density_atomic":0.07329029001919164,"volume":81.86623355466124,"volume_molar":8.216833032620086,"formula_full":"Ho1 Cr2 Si2 C1","formula_reduced":"HoCr2Si2C","formula_anonymous":"ABC2D2","energy":-46.57178599,"energy_per_atom":-7.761964331666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.71378599,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2694488,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.523000Z","spacegroup":123},{"id":"mp-1407787","created_at":"2022-09-04T14:39:10.115826Z","structure_string":"Cr4 Se8\n1.0\n6.179459 -0.007257 3.597388\n2.053581 5.812604 3.597577\n0.009063 0.005936 7.179942\nCr Se\n4 8\ndirect\n0.497486 0.005780 0.498410 Cr\n0.004351 0.497603 0.499004 Cr\n0.499383 0.498681 0.499118 Cr\n0.499218 0.498617 0.003181 Cr\n0.249970 0.251514 0.252381 Se\n0.748169 0.747703 0.259560 Se\n0.256859 0.745752 0.748735 Se\n0.746879 0.255559 0.748816 Se\n0.746531 0.253828 0.249711 Se\n0.252982 0.745547 0.250763 Se\n0.250026 0.251629 0.745705 Se\n0.748149 0.747788 0.744617 Se\n","nsites":12,"nelements":2,"elements":["Cr","Se"],"chemical_system":"Cr-Se","density":5.41004062635213,"density_atomic":0.04656149697017531,"volume":257.7236725805128,"volume_molar":12.93373527886667,"formula_full":"Cr4 Se8","formula_reduced":"CrSe2","formula_anonymous":"AB2","energy":-75.50684107,"energy_per_atom":-6.292236755833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.73084107,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.649582,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.279000Z","spacegroup":216},{"id":"mp-1073721","created_at":"2022-09-04T14:39:08.680094Z","structure_string":"Mg12 Si12\n1.0\n5.589758 0.000000 0.000000\n-1.060493 6.038413 0.000000\n-0.128832 -2.503766 13.489520\nMg Si\n12 12\ndirect\n0.295857 0.106344 0.028153 Mg\n0.156733 0.194856 0.327699 Mg\n0.999525 0.744914 0.667482 Mg\n0.315177 0.610777 0.004643 Mg\n0.136871 0.688841 0.354914 Mg\n0.482864 0.206569 0.679795 Mg\n0.831780 0.811572 0.169293 Mg\n0.694911 0.896555 0.472168 Mg\n0.997659 0.255407 0.832415 Mg\n0.852693 0.317665 0.143494 Mg\n0.678594 0.389852 0.496083 Mg\n0.516565 0.746901 0.818525 Mg\n0.769784 0.965622 0.988225 Si\n0.655900 0.115550 0.307379 Si\n0.503614 0.702193 0.623642 Si\n0.810239 0.555385 0.978811 Si\n0.645883 0.516013 0.314284 Si\n0.959967 0.208927 0.626792 Si\n0.346014 0.488151 0.185823 Si\n0.185856 0.452796 0.518912 Si\n0.493255 0.296456 0.877691 Si\n0.333569 0.887651 0.191904 Si\n0.223897 0.045057 0.506589 Si\n0.042884 0.795984 0.872953 Si\n","nsites":24,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.2928232171362604,"density_atomic":0.05271071723370555,"volume":455.3153753076489,"volume_molar":11.424888667895374,"formula_full":"Mg12 Si12","formula_reduced":"MgSi","formula_anonymous":"AB","energy":-82.66374094999999,"energy_per_atom":-3.444322539583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.51574095,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0048003,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.743000Z","spacegroup":1},{"id":"mp-867293","created_at":"2022-09-04T14:39:10.126292Z","structure_string":"Li1 Co2 Si1\n1.0\n0.000000 2.738979 2.738979\n2.738979 0.000000 2.738979\n2.738979 2.738979 0.000000\nLi Co Si\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Si\n","nsites":4,"nelements":3,"elements":["Li","Co","Si"],"chemical_system":"Co-Li-Si","density":6.177891606241528,"density_atomic":0.09733384689285665,"volume":41.095673578001374,"volume_molar":6.1870982728434285,"formula_full":"Li1 Co2 Si1","formula_reduced":"LiCo2Si","formula_anonymous":"ABC2","energy":-23.16081956,"energy_per_atom":-5.79020489,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.23181956,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0119885,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.029000Z","spacegroup":225},{"id":"mp-1219112","created_at":"2022-09-04T14:39:10.130762Z","structure_string":"Sm2 B8 Ir4 Os4\n1.0\n0.000000 0.000000 4.009435\n7.611137 0.000000 0.000000\n0.000000 7.611137 0.000000\nSm B Ir Os\n2 8 4 4\ndirect\n0.248793 0.250000 0.250000 Sm\n0.748793 0.750000 0.750000 Sm\n0.363066 0.911852 0.034792 B\n0.363066 0.588148 0.465208 B\n0.863066 0.534792 0.088148 B\n0.863066 0.965208 0.411852 B\n0.640537 0.088863 0.972785 B\n0.640537 0.411137 0.527215 B\n0.140537 0.472785 0.911137 B\n0.140537 0.027215 0.588863 B\n0.135956 0.404798 0.640220 Ir\n0.135956 0.095202 0.859780 Ir\n0.635956 0.140220 0.595202 Ir\n0.635956 0.359780 0.904798 Ir\n0.861045 0.603716 0.358821 Os\n0.861045 0.896284 0.141179 Os\n0.361045 0.858821 0.396284 Os\n0.361045 0.641179 0.103716 Os\n","nsites":18,"nelements":4,"elements":["Sm","B","Ir","Os"],"chemical_system":"B-Ir-Os-Sm","density":13.705284283776518,"density_atomic":0.07749795620555944,"volume":232.26418968076916,"volume_molar":7.770709132027396,"formula_full":"Sm2 B8 Ir4 Os4","formula_reduced":"SmB4(IrOs)2","formula_anonymous":"AB2C2D4","energy":-152.01060949,"energy_per_atom":-8.445033860555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-152.01060949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0128478,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.897000Z","spacegroup":77},{"id":"mp-1047190","created_at":"2022-09-04T14:39:10.132769Z","structure_string":"Mg2 Ti1 W1 O6\n1.0\n4.922607 -2.608048 0.000000\n4.922607 2.608048 0.000000\n3.540836 0.000000 4.300750\nMg Ti W O\n2 1 1 6\ndirect\n0.772072 0.772072 0.772072 Mg\n0.278082 0.278082 0.278082 Mg\n0.485304 0.485304 0.485304 Ti\n0.982136 0.982136 0.982136 W\n0.585643 0.860347 0.208143 O\n0.363892 0.098454 0.697127 O\n0.697127 0.363892 0.098454 O\n0.098454 0.697127 0.363892 O\n0.860347 0.208143 0.585643 O\n0.208143 0.585643 0.860347 O\n","nsites":10,"nelements":4,"elements":["Mg","Ti","W","O"],"chemical_system":"Mg-O-Ti-W","density":5.658663150034274,"density_atomic":0.09055554762256081,"volume":110.4294575267813,"volume_molar":6.650217372767185,"formula_full":"Mg2 Ti1 W1 O6","formula_reduced":"Mg2TiWO6","formula_anonymous":"ABC2D6","energy":-81.64933105,"energy_per_atom":-8.164933105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.08933105,"band_gap":1.4421999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9978501,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.070000Z","spacegroup":146},{"id":"mp-1225433","created_at":"2022-09-04T14:39:11.490818Z","structure_string":"Eu2 Ge3 Au1\n1.0\n-2.193844 -3.802364 0.000000\n-2.196854 3.804102 0.000000\n0.000000 0.000000 -8.724132\nEu Ge Au\n2 3 1\ndirect\n0.999993 0.999982 0.004930 Eu\n0.999993 0.999982 0.495070 Eu\n0.333250 0.666638 0.750000 Ge\n0.666474 0.333323 0.250000 Ge\n0.666650 0.333347 0.750000 Ge\n0.333440 0.666727 0.250000 Au\n","nsites":6,"nelements":3,"elements":["Eu","Ge","Au"],"chemical_system":"Au-Eu-Ge","density":8.193270797013003,"density_atomic":0.04118533388389982,"volume":145.68292725060368,"volume_molar":14.62205157053292,"formula_full":"Eu2 Ge3 Au1","formula_reduced":"Eu2Ge3Au","formula_anonymous":"AB2C3","energy":-41.28829913,"energy_per_atom":-6.881383188333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.28829913,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9000856,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.995000Z","spacegroup":187}]}