{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10234","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10232","results":[{"id":"mp-1030120","created_at":"2022-09-04T14:47:02.015125Z","structure_string":"Te4 Mo1 W3 Se4\n1.0\n1.718427 -2.976404 0.000000\n1.718427 2.976404 0.000000\n0.000000 0.000000 39.171683\nTe Mo W Se\n4 1 3 4\ndirect\n0.000000 0.000000 0.329506 Te\n0.333333 0.666667 0.046555 Te\n0.333333 0.666667 0.141247 Te\n0.000000 0.000000 0.234153 Te\n0.000000 0.000000 0.093878 Mo\n0.000000 0.000000 0.469653 W\n0.333333 0.666667 0.281818 W\n0.333333 0.666667 0.657530 W\n0.000000 0.000000 0.699469 Se\n0.333333 0.666667 0.427726 Se\n0.333333 0.666667 0.511614 Se\n0.000000 0.000000 0.615598 Se\n","nsites":12,"nelements":4,"elements":["Te","Mo","W","Se"],"chemical_system":"Mo-Se-Te-W","density":6.107071249138467,"density_atomic":0.029947188198170955,"volume":400.70539913770295,"volume_molar":20.10920264082691,"formula_full":"Te4 Mo1 W3 Se4","formula_reduced":"Te4MoW3Se4","formula_anonymous":"AB3C4D4","energy":-83.90730357,"energy_per_atom":-6.9922752975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.33130357,"band_gap":1.7789000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0156149,"is_theoretical":true,"updated_at":"2021-11-28T01:37:44.221000Z","spacegroup":156},{"id":"mp-978854","created_at":"2022-09-04T14:47:02.020030Z","structure_string":"Sr1 Ga2 H2\n1.0\n2.207559 -3.823605 0.000000\n2.207559 3.823605 0.000000\n0.000000 0.000000 4.683963\nSr Ga H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.463017 Ga\n0.666667 0.333333 0.536983 Ga\n0.333333 0.666667 0.099138 H\n0.666667 0.333333 0.900862 H\n","nsites":5,"nelements":3,"elements":["Sr","Ga","H"],"chemical_system":"Ga-H-Sr","density":4.810730677989001,"density_atomic":0.06323262518910645,"volume":79.07310482597813,"volume_molar":9.523787351845511,"formula_full":"Sr1 Ga2 H2","formula_reduced":"Sr(GaH)2","formula_anonymous":"AB2C2","energy":-16.91533218,"energy_per_atom":-3.383066436,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.55733218,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:37:46.643000Z","spacegroup":164},{"id":"mp-1200470","created_at":"2022-09-04T14:47:02.056581Z","structure_string":"Ca6 Co8 Sn26\n1.0\n9.639199 0.000000 0.000000\n0.000000 9.639199 0.000000\n0.000000 0.000000 9.639199\nCa Co Sn\n6 8 26\ndirect\n0.500000 0.000000 0.750000 Ca\n0.000000 0.250000 0.500000 Ca\n0.750000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.000000 0.750000 0.500000 Ca\n0.250000 0.500000 0.000000 Ca\n0.750000 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.657431 0.198647 0.500000 Sn\n0.801353 0.500000 0.657431 Sn\n0.500000 0.342569 0.801353 Sn\n0.342569 0.801353 0.500000 Sn\n0.198647 0.500000 0.342569 Sn\n0.500000 0.657431 0.198647 Sn\n0.657431 0.801353 0.500000 Sn\n0.801353 0.500000 0.342569 Sn\n0.342569 0.198647 0.500000 Sn\n0.198647 0.500000 0.657431 Sn\n0.500000 0.657431 0.801353 Sn\n0.500000 0.342569 0.198647 Sn\n0.157431 0.000000 0.698647 Sn\n0.301353 0.157431 0.000000 Sn\n0.000000 0.301353 0.842569 Sn\n0.842569 0.000000 0.301353 Sn\n0.698647 0.842569 0.000000 Sn\n0.000000 0.698647 0.157431 Sn\n0.157431 0.000000 0.301353 Sn\n0.301353 0.842569 0.000000 Sn\n0.842569 0.000000 0.698647 Sn\n0.698647 0.157431 0.000000 Sn\n0.000000 0.301353 0.157431 Sn\n0.000000 0.698647 0.842569 Sn\n","nsites":40,"nelements":3,"elements":["Ca","Co","Sn"],"chemical_system":"Ca-Co-Sn","density":7.04248968352695,"density_atomic":0.044661895635378486,"volume":895.6180527257869,"volume_molar":13.483844951779476,"formula_full":"Ca6 Co8 Sn26","formula_reduced":"Ca3Co4Sn13","formula_anonymous":"A3B4C13","energy":-184.56956672,"energy_per_atom":-4.614239168,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.56956672,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3660079,"is_theoretical":false,"updated_at":"2021-11-28T01:37:53.800000Z","spacegroup":223},{"id":"mp-1218692","created_at":"2022-09-04T14:47:01.988814Z","structure_string":"Sr8 Ti4 Fe4 O24\n1.0\n3.936774 0.000001 -0.000194\n0.000003 15.747564 0.000008\n-0.000387 0.000004 7.839875\nSr Ti Fe O\n8 4 4 24\ndirect\n0.500005 0.125021 0.255405 Sr\n0.500005 0.374999 0.255096 Sr\n0.500002 0.624982 0.255404 Sr\n0.500004 0.874999 0.255119 Sr\n0.499996 0.125021 0.744594 Sr\n0.499996 0.374999 0.744903 Sr\n0.499996 0.624981 0.744595 Sr\n0.499998 0.874998 0.744881 Sr\n0.000001 0.999861 0.000001 Ti\n0.000000 0.250140 0.000000 Ti\n0.000002 0.499860 0.000000 Ti\n0.000000 0.750139 0.999999 Ti\n0.000001 0.249456 0.499999 Fe\n0.999999 0.500545 0.500001 Fe\n0.000001 0.000553 0.500001 Fe\n0.000000 0.749446 0.500001 Fe\n0.000016 0.999887 0.249869 O\n0.000017 0.250113 0.249867 O\n0.000016 0.499887 0.249866 O\n0.000020 0.750113 0.249872 O\n0.999985 0.999888 0.750132 O\n0.999981 0.250113 0.750131 O\n0.999985 0.499886 0.750132 O\n0.999984 0.750113 0.750130 O\n0.000000 0.125000 0.000000 O\n0.999998 0.375002 0.000001 O\n0.999997 0.624999 0.000001 O\n0.999999 0.875000 0.000000 O\n0.500001 0.999983 0.000000 O\n0.499999 0.250015 0.000000 O\n0.499998 0.499986 0.000000 O\n0.500000 0.750016 0.999999 O\n0.999999 0.125006 0.500000 O\n0.000000 0.375001 0.500000 O\n0.000001 0.624995 0.500000 O\n0.999999 0.874999 0.500000 O\n0.500001 0.999641 0.500002 O\n0.499999 0.250362 0.500001 O\n0.500001 0.499636 0.500001 O\n0.499998 0.750360 0.499999 O\n","nsites":40,"nelements":4,"elements":["Sr","Ti","Fe","O"],"chemical_system":"Fe-O-Sr-Ti","density":5.1240999260923425,"density_atomic":0.08229946049615779,"volume":486.0299175578123,"volume_molar":7.317351442760854,"formula_full":"Sr8 Ti4 Fe4 O24","formula_reduced":"Sr2TiFeO6","formula_anonymous":"ABC2D6","energy":-312.97411945,"energy_per_atom":-7.82435298625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-287.46211945,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0387731,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.584000Z","spacegroup":123},{"id":"mp-1227766","created_at":"2022-09-04T14:47:01.992335Z","structure_string":"Ba4 Si4 Ge4\n1.0\n6.898857 0.000000 0.000000\n0.000000 6.898857 0.000000\n0.000000 0.000000 6.898857\nBa Si Ge\n4 4 4\ndirect\n0.373897 0.873897 0.626103 Ba\n0.626103 0.373897 0.873897 Ba\n0.873897 0.626103 0.373897 Ba\n0.126103 0.126103 0.126103 Ba\n0.077236 0.577236 0.922764 Si\n0.577236 0.922764 0.077236 Si\n0.922764 0.077236 0.577236 Si\n0.422764 0.422764 0.422764 Si\n0.671998 0.171998 0.328002 Ge\n0.328002 0.671998 0.171998 Ge\n0.171998 0.328002 0.671998 Ge\n0.828002 0.828002 0.828002 Ge\n","nsites":12,"nelements":3,"elements":["Ba","Si","Ge"],"chemical_system":"Ba-Ge-Si","density":4.8156000099556335,"density_atomic":0.03654683876098602,"volume":328.34577235200095,"volume_molar":16.477870492122218,"formula_full":"Ba4 Si4 Ge4","formula_reduced":"BaSiGe","formula_anonymous":"ABC","energy":-52.400997880000006,"energy_per_atom":-4.3667498233333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.68499788,"band_gap":0.0605999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.97e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:46.032000Z","spacegroup":198},{"id":"mp-561447","created_at":"2022-09-04T14:47:01.995515Z","structure_string":"K12 Al4 B32 O60\n1.0\n11.600625 0.000000 0.000000\n0.000000 10.325196 0.000000\n0.000000 0.262762 12.915721\nK Al B O\n12 4 32 60\ndirect\n0.871786 0.112179 0.938367 K\n0.371786 0.887821 0.561633 K\n0.628214 0.112179 0.438367 K\n0.400496 0.109661 0.896076 K\n0.636585 0.526560 0.221873 K\n0.136585 0.473440 0.278127 K\n0.128214 0.887821 0.061633 K\n0.599504 0.890339 0.103924 K\n0.900496 0.890339 0.603924 K\n0.363415 0.473440 0.778127 K\n0.099504 0.109661 0.396076 K\n0.863415 0.526560 0.721873 K\n0.334570 0.252130 0.539125 Al\n0.165430 0.252130 0.039125 Al\n0.665430 0.747870 0.460875 Al\n0.834570 0.747870 0.960875 Al\n0.098639 0.655070 0.476553 B\n0.301622 0.492081 0.083250 B\n0.837669 0.868318 0.355515 B\n0.618528 0.779070 0.687891 B\n0.662331 0.868318 0.855515 B\n0.901361 0.344930 0.523447 B\n0.947888 0.225326 0.164189 B\n0.552112 0.225326 0.664189 B\n0.447888 0.774674 0.335811 B\n0.250855 0.828811 0.284356 B\n0.871978 0.306680 0.333972 B\n0.038738 0.807840 0.319812 B\n0.698378 0.507919 0.916750 B\n0.801622 0.507919 0.416750 B\n0.249145 0.828811 0.784356 B\n0.598639 0.344930 0.023447 B\n0.750855 0.171189 0.215644 B\n0.128022 0.693320 0.666028 B\n0.961262 0.192160 0.680188 B\n0.401361 0.655070 0.976553 B\n0.337669 0.131682 0.144485 B\n0.881472 0.779070 0.187891 B\n0.118528 0.220930 0.812109 B\n0.381472 0.220930 0.312109 B\n0.052112 0.774674 0.835811 B\n0.749145 0.171189 0.715644 B\n0.371978 0.693320 0.166028 B\n0.538738 0.192160 0.180188 B\n0.461262 0.807840 0.819812 B\n0.628022 0.306680 0.833972 B\n0.198378 0.492081 0.583250 B\n0.162331 0.131682 0.644485 B\n0.844280 0.465385 0.513391 O\n0.840083 0.168209 0.142699 O\n0.563386 0.314255 0.121593 O\n0.034007 0.714626 0.743052 O\n0.159917 0.831791 0.857301 O\n0.743023 0.883096 0.931722 O\n0.270791 0.775663 0.190106 O\n0.229209 0.775663 0.690106 O\n0.465993 0.714626 0.243052 O\n0.243023 0.116904 0.568278 O\n0.146888 0.883149 0.309448 O\n0.770791 0.224337 0.309894 O\n0.226829 0.391351 0.090407 O\n0.300510 0.171430 0.241950 O\n0.452963 0.112067 0.125222 O\n0.659917 0.168209 0.642699 O\n0.965993 0.285374 0.256948 O\n0.547037 0.887933 0.874778 O\n0.083431 0.730196 0.561915 O\n0.353112 0.883149 0.809448 O\n0.028621 0.214691 0.089188 O\n0.155720 0.534615 0.486609 O\n0.344280 0.534615 0.986609 O\n0.659274 0.741621 0.595192 O\n0.853112 0.116851 0.690552 O\n0.416569 0.730196 0.061915 O\n0.952963 0.887933 0.374778 O\n0.995574 0.771754 0.215641 O\n0.534007 0.285374 0.756948 O\n0.495574 0.228246 0.284359 O\n0.936614 0.314255 0.621593 O\n0.047037 0.112067 0.625222 O\n0.646888 0.116851 0.190552 O\n0.063386 0.685745 0.378407 O\n0.004426 0.228246 0.784359 O\n0.504426 0.771754 0.715641 O\n0.166927 0.557369 0.670870 O\n0.916569 0.269804 0.438085 O\n0.699490 0.828570 0.758050 O\n0.340083 0.831791 0.357301 O\n0.340726 0.258379 0.404808 O\n0.971379 0.785309 0.910812 O\n0.756977 0.883096 0.431722 O\n0.436614 0.685745 0.878407 O\n0.528621 0.785309 0.410812 O\n0.199490 0.171430 0.741950 O\n0.583431 0.269804 0.938085 O\n0.729209 0.224337 0.809894 O\n0.840726 0.741621 0.095192 O\n0.256977 0.116904 0.068278 O\n0.833073 0.442631 0.329130 O\n0.159274 0.258379 0.904808 O\n0.655720 0.465385 0.013391 O\n0.666927 0.442631 0.829130 O\n0.471379 0.214691 0.589188 O\n0.773171 0.608649 0.909593 O\n0.726829 0.608649 0.409593 O\n0.800510 0.828570 0.258050 O\n0.333073 0.557369 0.170870 O\n0.273171 0.391351 0.590407 O\n","nsites":108,"nelements":4,"elements":["K","Al","B","O"],"chemical_system":"Al-B-K-O","density":2.021185096816508,"density_atomic":0.06981124897400995,"volume":1547.0286176975196,"volume_molar":8.626318606965453,"formula_full":"K12 Al4 B32 O60","formula_reduced":"K3AlB8O15","formula_anonymous":"AB3C8D15","energy":-849.54309627,"energy_per_atom":-7.866139780277778,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-808.32309627,"band_gap":4.9962,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:51.063000Z","spacegroup":14},{"id":"mp-21577","created_at":"2022-09-04T14:47:01.997949Z","structure_string":"Na24 In8 P16\n1.0\n7.400297 0.000000 0.000000\n0.000000 9.484777 0.000000\n0.000000 0.709888 15.433337\nNa In P\n24 8 16\ndirect\n0.152029 0.875894 0.703517 Na\n0.652029 0.124106 0.796483 Na\n0.847971 0.124106 0.296483 Na\n0.347971 0.875894 0.203517 Na\n0.489109 0.560063 0.104330 Na\n0.989109 0.439937 0.395670 Na\n0.510891 0.439937 0.895670 Na\n0.010891 0.560063 0.604330 Na\n0.965544 0.188274 0.650494 Na\n0.465544 0.811726 0.849506 Na\n0.034456 0.811726 0.349506 Na\n0.534456 0.188274 0.150494 Na\n0.847051 0.382904 0.046290 Na\n0.347051 0.617096 0.453710 Na\n0.152949 0.617096 0.953710 Na\n0.652949 0.382904 0.546290 Na\n0.976711 0.934632 0.894611 Na\n0.476711 0.065368 0.605389 Na\n0.023289 0.065368 0.105389 Na\n0.523289 0.934632 0.394611 Na\n0.004255 0.319795 0.863253 Na\n0.504255 0.680205 0.636747 Na\n0.995745 0.680205 0.136747 Na\n0.495745 0.319795 0.363253 Na\n0.641392 0.873726 0.040959 In\n0.141392 0.126274 0.459041 In\n0.358608 0.126274 0.959041 In\n0.858608 0.873726 0.540959 In\n0.655637 0.636523 0.289622 In\n0.155637 0.363477 0.210378 In\n0.344363 0.363477 0.710378 In\n0.844363 0.636523 0.789622 In\n0.218089 0.873530 0.523137 P\n0.718089 0.126470 0.976863 P\n0.781911 0.126470 0.476863 P\n0.281911 0.873530 0.023137 P\n0.705071 0.407047 0.726073 P\n0.205071 0.592953 0.773927 P\n0.294929 0.592953 0.273927 P\n0.794929 0.407047 0.226073 P\n0.762762 0.652447 0.958134 P\n0.262762 0.347553 0.541866 P\n0.237238 0.347553 0.041866 P\n0.737238 0.652447 0.458134 P\n0.759339 0.874886 0.705757 P\n0.259339 0.125114 0.794243 P\n0.240661 0.125114 0.294243 P\n0.740661 0.874886 0.205757 P\n","nsites":48,"nelements":3,"elements":["Na","In","P"],"chemical_system":"In-Na-P","density":3.0134895572390237,"density_atomic":0.044310344193869144,"volume":1083.2684979829464,"volume_molar":13.590823699431416,"formula_full":"Na24 In8 P16","formula_reduced":"Na3InP2","formula_anonymous":"AB2C3","energy":-158.45184659,"energy_per_atom":-3.3010801372916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-158.45184659,"band_gap":0.6425999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0036556,"is_theoretical":false,"updated_at":"2021-11-28T01:37:49.214000Z","spacegroup":14},{"id":"mp-1220339","created_at":"2022-09-04T14:47:02.034620Z","structure_string":"Nd2 Cd1 Sb4\n1.0\n4.381990 0.000000 0.000000\n0.000000 4.381990 0.000000\n0.000000 0.000000 10.822516\nNd Cd Sb\n2 1 4\ndirect\n0.500000 0.000000 0.765521 Nd\n0.000000 0.500000 0.234479 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.326491 Sb\n0.000000 0.500000 0.673509 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n","nsites":7,"nelements":3,"elements":["Nd","Cd","Sb"],"chemical_system":"Cd-Nd-Sb","density":7.095112265931237,"density_atomic":0.03368426219458,"volume":207.81218123656402,"volume_molar":17.87820295784599,"formula_full":"Nd2 Cd1 Sb4","formula_reduced":"Nd2CdSb4","formula_anonymous":"AB2C4","energy":-32.6533538,"energy_per_atom":-4.664764828571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.8853538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.16e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.788000Z","spacegroup":115},{"id":"mp-768733","created_at":"2022-09-04T14:47:02.081143Z","structure_string":"Li3 Mn2 P2 C2 O14\n1.0\n5.063161 0.000000 0.000000\n-0.022867 6.475834 0.000000\n-0.598481 -0.136624 8.292285\nLi Mn P C O\n3 2 2 2 14\ndirect\n0.760292 0.537643 0.265155 Li\n0.246588 0.485778 0.746727 Li\n0.244234 0.018059 0.747849 Li\n0.201583 0.244713 0.330043 Mn\n0.790638 0.749705 0.663783 Mn\n0.276894 0.746807 0.419660 P\n0.729244 0.253241 0.577529 P\n0.282533 0.256551 0.046604 C\n0.709721 0.744263 0.949055 C\n0.046344 0.244623 0.098497 O\n0.664508 0.723463 0.090597 O\n0.468104 0.266000 0.165254 O\n0.204586 0.938808 0.323900 O\n0.168321 0.560615 0.317244 O\n0.844749 0.265603 0.411238 O\n0.582786 0.720893 0.456622 O\n0.418924 0.254110 0.549941 O\n0.157478 0.749871 0.588845 O\n0.827493 0.061922 0.672003 O\n0.827378 0.437543 0.687213 O\n0.519024 0.753319 0.828119 O\n0.328924 0.256461 0.899774 O\n0.945556 0.756192 0.891408 O\n","nsites":23,"nelements":5,"elements":["Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-O-P","density":2.691291142253024,"density_atomic":0.08459333967441032,"volume":271.8890173685571,"volume_molar":7.1189301464849395,"formula_full":"Li3 Mn2 P2 C2 O14","formula_reduced":"Li3Mn2P2(CO7)2","formula_anonymous":"A2B2C2D3E14","energy":-174.4904332,"energy_per_atom":-7.586540573913044,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.5364332,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9682183,"is_theoretical":true,"updated_at":"2021-11-28T01:37:49.854000Z","spacegroup":1},{"id":"mp-1201105","created_at":"2022-09-04T14:47:02.204320Z","structure_string":"Na8 Ga6 Ge6 O32\n1.0\n9.256974 0.000000 0.000000\n0.000000 9.256974 0.000000\n0.000000 0.000000 9.256974\nNa Ga Ge O\n8 6 6 32\ndirect\n0.828854 0.828854 0.171146 Na\n0.171146 0.828854 0.828854 Na\n0.171146 0.171146 0.171146 Na\n0.828854 0.171146 0.828854 Na\n0.328854 0.671146 0.328854 Na\n0.671146 0.328854 0.328854 Na\n0.671146 0.671146 0.671146 Na\n0.328854 0.328854 0.671146 Na\n0.500000 0.000000 0.250000 Ga\n0.000000 0.750000 0.500000 Ga\n0.250000 0.500000 0.000000 Ga\n0.000000 0.250000 0.500000 Ga\n0.750000 0.500000 0.000000 Ga\n0.500000 0.000000 0.750000 Ga\n0.250000 0.000000 0.500000 Ge\n0.000000 0.500000 0.250000 Ge\n0.500000 0.750000 0.000000 Ge\n0.750000 0.000000 0.500000 Ge\n0.500000 0.250000 0.000000 Ge\n0.000000 0.500000 0.750000 Ge\n0.075309 0.924691 0.075309 O\n0.924691 0.075309 0.075309 O\n0.075309 0.075309 0.924691 O\n0.924691 0.924691 0.924691 O\n0.575309 0.575309 0.424691 O\n0.424691 0.575309 0.575309 O\n0.575309 0.424691 0.575309 O\n0.424691 0.424691 0.424691 O\n0.146117 0.861047 0.580393 O\n0.138953 0.419607 0.146117 O\n0.580393 0.853883 0.138953 O\n0.853883 0.138953 0.580393 O\n0.861047 0.580393 0.146117 O\n0.419607 0.146117 0.138953 O\n0.146117 0.138953 0.419607 O\n0.138953 0.580393 0.853883 O\n0.580393 0.146117 0.861047 O\n0.853883 0.861047 0.419607 O\n0.861047 0.419607 0.853883 O\n0.419607 0.853883 0.861047 O\n0.646117 0.080393 0.361047 O\n0.638953 0.646117 0.919607 O\n0.080393 0.638953 0.353883 O\n0.353883 0.080393 0.638953 O\n0.361047 0.646117 0.080393 O\n0.919607 0.638953 0.646117 O\n0.646117 0.919607 0.638953 O\n0.638953 0.353883 0.080393 O\n0.080393 0.361047 0.646117 O\n0.353883 0.919607 0.361047 O\n0.361047 0.353883 0.919607 O\n0.919607 0.361047 0.353883 O\n","nsites":52,"nelements":4,"elements":["Na","Ga","Ge","O"],"chemical_system":"Ga-Ge-Na-O","density":3.2448544805954715,"density_atomic":0.06555354944285435,"volume":793.2446136319511,"volume_molar":9.186597539237354,"formula_full":"Na8 Ga6 Ge6 O32","formula_reduced":"Na4Ga3Ge3O16","formula_anonymous":"A3B3C4D16","energy":-306.19515,"energy_per_atom":-5.888368269230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-284.21115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0162377,"is_theoretical":false,"updated_at":"2021-11-28T01:37:50.543000Z","spacegroup":218},{"id":"mp-676215","created_at":"2022-09-04T14:47:01.995483Z","structure_string":"Li9 Ta11 N20\n1.0\n2.712096 0.000000 1.565830\n0.904032 2.556989 1.565830\n0.209731 0.148302 62.269905\nLi Ta N\n9 11 20\ndirect\n0.013392 0.013392 0.047991 Li\n0.986608 0.986608 0.552009 Li\n0.988158 0.988158 0.651776 Li\n0.997201 0.997201 0.700420 Li\n0.000000 0.000000 0.800000 Li\n0.003240 0.003240 0.749514 Li\n0.996760 0.996760 0.850486 Li\n0.002799 0.002799 0.899580 Li\n0.011842 0.011842 0.948224 Li\n0.001381 0.001381 0.999793 Ta\n0.005100 0.005100 0.099235 Ta\n0.004027 0.004027 0.149396 Ta\n0.999567 0.999567 0.200065 Ta\n0.999632 0.999632 0.250055 Ta\n0.000000 0.000000 0.300000 Ta\n0.000368 0.000368 0.349945 Ta\n0.995973 0.995973 0.450604 Ta\n0.000433 0.000433 0.399935 Ta\n0.994900 0.994900 0.500765 Ta\n0.998619 0.998619 0.600207 Ta\n0.518728 0.518728 0.022191 N\n0.477402 0.477402 0.078390 N\n0.501510 0.501510 0.124773 N\n0.499847 0.499847 0.175023 N\n0.500411 0.500411 0.224938 N\n0.499608 0.499608 0.275059 N\n0.500392 0.500392 0.324941 N\n0.499589 0.499589 0.375062 N\n0.500153 0.500153 0.424977 N\n0.498490 0.498490 0.475227 N\n0.522598 0.522598 0.521610 N\n0.481272 0.481272 0.577809 N\n0.525544 0.525544 0.621168 N\n0.495186 0.495186 0.675722 N\n0.503739 0.503739 0.724439 N\n0.499843 0.499843 0.775024 N\n0.500157 0.500157 0.824976 N\n0.496261 0.496261 0.875561 N\n0.504814 0.504814 0.924278 N\n0.474456 0.474456 0.978832 N\n","nsites":40,"nelements":3,"elements":["Li","Ta","N"],"chemical_system":"Li-N-Ta","density":8.997583087367254,"density_atomic":0.0929001672548736,"volume":430.5697307331982,"volume_molar":6.482378813676545,"formula_full":"Li9 Ta11 N20","formula_reduced":"Li9Ta11N20","formula_anonymous":"A9B11C20","energy":-335.65759081000004,"energy_per_atom":-8.39143977025,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-328.43759081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.7569207,"is_theoretical":true,"updated_at":"2021-11-28T01:37:45.803000Z","spacegroup":166},{"id":"mp-1186534","created_at":"2022-09-04T14:47:02.035553Z","structure_string":"Pm1 As3\n1.0\n4.428592 0.000000 0.000000\n0.000000 4.428592 0.000000\n0.000000 0.000000 4.428592\nPm As\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 As\n","nsites":4,"nelements":2,"elements":["Pm","As"],"chemical_system":"As-Pm","density":7.069320144397075,"density_atomic":0.04605353565485394,"volume":86.85543776655526,"volume_molar":13.076391800040394,"formula_full":"Pm1 As3","formula_reduced":"PmAs3","formula_anonymous":"AB3","energy":-20.85470771,"energy_per_atom":-5.2136769275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.85470771,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009149,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.267000Z","spacegroup":221}]}