{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=10180","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_theoretical&page=10178","results":[{"id":"mp-19017","created_at":"2022-09-04T14:42:54.278843Z","structure_string":"Li4 Fe4 P4 O16\n1.0\n-0.000032 -0.000030 4.746441\n10.443730 0.000249 -0.000068\n0.000145 6.090226 -0.000037\nLi Fe P O\n4 4 4 16\ndirect\n0.000001 0.000012 0.000033 Li\n0.500006 0.500009 0.000031 Li\n0.500003 0.500012 0.499969 Li\n0.000003 0.000014 0.499967 Li\n0.475249 0.218034 0.750004 Fe\n0.024756 0.718035 0.750003 Fe\n0.975100 0.281904 0.250000 Fe\n0.524916 0.781902 0.250000 Fe\n0.417818 0.094765 0.249997 P\n0.917890 0.405223 0.750005 P\n0.082181 0.594768 0.249997 P\n0.582109 0.905222 0.750005 P\n0.741868 0.096733 0.250004 O\n0.241927 0.403236 0.749996 O\n0.758132 0.596728 0.250002 O\n0.258074 0.903235 0.749994 O\n0.206948 0.457079 0.250000 O\n0.706824 0.042933 0.749999 O\n0.293046 0.957078 0.250004 O\n0.793180 0.542933 0.750004 O\n0.284514 0.165498 0.047035 O\n0.784505 0.334538 0.952972 O\n0.784474 0.334530 0.547061 O\n0.284491 0.165505 0.452927 O\n0.215502 0.665512 0.452922 O\n0.715521 0.834524 0.547065 O\n0.715486 0.834533 0.952970 O\n0.215477 0.665504 0.047037 O\n","nsites":28,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":3.470895937963407,"density_atomic":0.09274721984933965,"volume":301.8958416811171,"volume_molar":6.49306876236558,"formula_full":"Li4 Fe4 P4 O16","formula_reduced":"LiFePO4","formula_anonymous":"ABCD4","energy":-211.7821349,"energy_per_atom":-7.5636476749999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.7661349,"band_gap":3.9224,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.128000Z","spacegroup":62},{"id":"mp-1064244","created_at":"2022-09-04T14:42:57.492604Z","structure_string":"Sc4\n1.0\n5.422676 0.000000 0.000000\n0.000000 5.422676 0.000000\n0.000000 0.000000 3.435206\nSc\n4\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.532664 Sc\n0.000000 0.500000 0.467336 Sc\n","nsites":4,"nelements":1,"elements":["Sc"],"chemical_system":"Sc","density":2.956077409580834,"density_atomic":0.039598605549596946,"volume":101.01365804384275,"volume_molar":15.207961685563184,"formula_full":"Sc4","formula_reduced":"Sc","formula_anonymous":"A","energy":-24.87992786,"energy_per_atom":-6.219981965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.87992786,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0881651,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.099000Z","spacegroup":129},{"id":"mp-27794","created_at":"2022-09-04T14:42:57.498503Z","structure_string":"Ba4 B32 O52\n1.0\n8.755195 0.000000 0.000000\n0.000000 8.755195 0.000000\n0.000000 0.000000 13.333180\nBa B O\n4 32 52\ndirect\n0.000000 0.539277 0.500000 Ba\n0.460723 0.000000 0.750000 Ba\n0.539277 0.000000 0.250000 Ba\n0.000000 0.460723 0.000000 Ba\n0.781388 0.070249 0.998046 B\n0.218612 0.929751 0.498046 B\n0.070249 0.781388 0.751954 B\n0.070249 0.218612 0.748046 B\n0.929751 0.781388 0.248046 B\n0.218612 0.070249 0.001954 B\n0.781388 0.929751 0.501954 B\n0.929751 0.218612 0.251954 B\n0.737526 0.806969 0.033215 B\n0.262474 0.193031 0.533215 B\n0.806969 0.737526 0.716785 B\n0.806969 0.262474 0.783215 B\n0.193031 0.737526 0.283215 B\n0.262474 0.806969 0.966785 B\n0.737526 0.193031 0.466785 B\n0.193031 0.262474 0.216785 B\n0.632855 0.557144 0.110081 B\n0.367145 0.442856 0.610081 B\n0.557144 0.632855 0.639919 B\n0.557144 0.367145 0.860081 B\n0.442856 0.632855 0.360081 B\n0.367145 0.557144 0.889919 B\n0.632855 0.442856 0.389919 B\n0.442856 0.367145 0.139919 B\n0.870363 0.870363 0.875000 B\n0.129637 0.870363 0.125000 B\n0.870363 0.129637 0.625000 B\n0.129637 0.129637 0.375000 B\n0.282058 0.717942 0.625000 B\n0.282058 0.282058 0.875000 B\n0.717942 0.717942 0.375000 B\n0.717942 0.282058 0.125000 B\n0.700345 0.959638 0.052497 O\n0.299655 0.040362 0.552497 O\n0.959638 0.700345 0.697503 O\n0.959638 0.299655 0.802497 O\n0.040362 0.700345 0.302497 O\n0.299655 0.959638 0.947503 O\n0.700345 0.040362 0.447503 O\n0.040362 0.299655 0.197503 O\n0.849277 0.029244 0.909878 O\n0.150723 0.970756 0.409878 O\n0.029244 0.849277 0.840122 O\n0.029244 0.150723 0.659878 O\n0.970756 0.849277 0.159878 O\n0.150723 0.029244 0.090122 O\n0.849277 0.970756 0.590122 O\n0.970756 0.150723 0.340122 O\n0.833332 0.760948 0.958619 O\n0.166668 0.239052 0.458619 O\n0.760948 0.833332 0.791381 O\n0.760948 0.166668 0.708619 O\n0.239052 0.833332 0.208619 O\n0.166668 0.760948 0.041381 O\n0.833332 0.239052 0.541381 O\n0.239052 0.166668 0.291381 O\n0.746899 0.450764 0.117148 O\n0.253101 0.549236 0.617148 O\n0.450764 0.746899 0.632852 O\n0.450764 0.253101 0.867148 O\n0.549236 0.746899 0.367148 O\n0.253101 0.450764 0.882852 O\n0.746899 0.549236 0.382852 O\n0.549236 0.253101 0.132852 O\n0.786335 0.217298 0.033489 O\n0.213665 0.782702 0.533489 O\n0.217298 0.786335 0.716511 O\n0.217298 0.213665 0.783489 O\n0.782702 0.786335 0.283489 O\n0.213665 0.217298 0.966511 O\n0.786335 0.782702 0.466511 O\n0.782702 0.213665 0.216511 O\n0.656804 0.708321 0.092746 O\n0.343196 0.291679 0.592746 O\n0.708321 0.656804 0.657254 O\n0.708321 0.343196 0.842746 O\n0.291679 0.656804 0.342746 O\n0.343196 0.708321 0.907254 O\n0.656804 0.291679 0.407254 O\n0.291679 0.343196 0.157254 O\n0.518186 0.481814 0.625000 O\n0.518186 0.518186 0.875000 O\n0.481814 0.481814 0.375000 O\n0.481814 0.518186 0.125000 O\n","nsites":88,"nelements":3,"elements":["Ba","B","O"],"chemical_system":"B-Ba-O","density":2.8062966603958124,"density_atomic":0.08610280171320871,"volume":1022.0341063129454,"volume_molar":6.994128692883366,"formula_full":"Ba4 B32 O52","formula_reduced":"BaB8O13","formula_anonymous":"AB8C13","energy":-737.8108468300001,"energy_per_atom":-8.384214168522728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-702.08684683,"band_gap":5.5451,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063479,"is_theoretical":false,"updated_at":"2021-11-28T01:36:01.403000Z","spacegroup":91},{"id":"mp-1104103","created_at":"2022-09-04T14:42:57.509059Z","structure_string":"Dy1 Mn4 Al8\n1.0\n0.000000 0.000000 -5.152006\n-4.392215 -4.392215 -2.576003\n-4.392215 4.392215 -2.576003\nDy Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.663844 0.336156 Al\n0.000000 0.336156 0.663844 Al\n0.663844 0.336156 0.336156 Al\n0.336156 0.663844 0.663844 Al\n0.500000 0.224315 0.775685 Al\n0.500000 0.775685 0.224315 Al\n0.724315 0.775685 0.775685 Al\n0.275685 0.224315 0.224315 Al\n","nsites":13,"nelements":3,"elements":["Dy","Mn","Al"],"chemical_system":"Al-Dy-Mn","density":4.996347334833791,"density_atomic":0.06539880533095797,"volume":198.7803895531737,"volume_molar":9.20833450936035,"formula_full":"Dy1 Mn4 Al8","formula_reduced":"Dy(MnAl2)4","formula_anonymous":"AB4C8","energy":-75.67181266,"energy_per_atom":-5.820908666153846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.67181266,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.3855819,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.168000Z","spacegroup":139},{"id":"mp-21164","created_at":"2022-09-04T14:43:02.925792Z","structure_string":"Sr4 Ge4 Pt4\n1.0\n6.692063 0.000000 0.000000\n0.000000 6.692063 0.000000\n0.000000 0.000000 6.692063\nSr Ge Pt\n4 4 4\ndirect\n0.135841 0.135841 0.135841 Sr\n0.364159 0.864159 0.635841 Sr\n0.635841 0.364159 0.864159 Sr\n0.864159 0.635841 0.364159 Sr\n0.165478 0.334522 0.665478 Ge\n0.334522 0.665478 0.165478 Ge\n0.665478 0.165478 0.334522 Ge\n0.834522 0.834522 0.834522 Ge\n0.582605 0.917395 0.082605 Pt\n0.917395 0.082605 0.582605 Pt\n0.082605 0.582605 0.917395 Pt\n0.417395 0.417395 0.417395 Pt\n","nsites":12,"nelements":3,"elements":["Sr","Ge","Pt"],"chemical_system":"Ge-Pt-Sr","density":7.875497774213262,"density_atomic":0.04004065595684929,"volume":299.69538992897793,"volume_molar":15.040065193961595,"formula_full":"Sr4 Ge4 Pt4","formula_reduced":"SrGePt","formula_anonymous":"ABC","energy":-60.30422747,"energy_per_atom":-5.025352289166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.30422747,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011042,"is_theoretical":false,"updated_at":"2021-11-28T01:36:06.626000Z","spacegroup":198},{"id":"mp-1196559","created_at":"2022-09-04T14:42:54.308761Z","structure_string":"Sm4 V8 I4 O36\n1.0\n7.060862 0.000000 0.000000\n0.000000 7.279727 0.000000\n0.000000 0.000000 14.589192\nSm V I O\n4 8 4 36\ndirect\n0.850589 0.250000 0.952197 Sm\n0.149411 0.750000 0.047803 Sm\n0.850589 0.750000 0.547803 Sm\n0.149411 0.250000 0.452197 Sm\n0.460112 0.000000 0.250000 V\n0.539888 0.500000 0.750000 V\n0.539888 0.000000 0.750000 V\n0.460112 0.500000 0.250000 V\n0.819080 0.250000 0.228480 V\n0.180920 0.750000 0.771520 V\n0.819080 0.750000 0.271520 V\n0.180920 0.250000 0.728480 V\n0.298412 0.250000 0.054371 I\n0.701588 0.750000 0.945629 I\n0.298412 0.750000 0.445629 I\n0.701588 0.250000 0.554371 I\n0.172395 0.068931 0.989189 O\n0.827605 0.568931 0.010811 O\n0.172395 0.931069 0.510811 O\n0.827605 0.431069 0.489189 O\n0.827605 0.931069 0.010811 O\n0.172395 0.431069 0.989189 O\n0.827605 0.068931 0.489189 O\n0.172395 0.568931 0.510811 O\n0.527941 0.250000 0.998800 O\n0.472059 0.750000 0.001200 O\n0.527941 0.750000 0.501200 O\n0.472059 0.250000 0.498800 O\n0.324717 0.952954 0.157134 O\n0.675283 0.452954 0.842866 O\n0.324717 0.047046 0.342866 O\n0.675283 0.547046 0.657134 O\n0.675283 0.047046 0.842866 O\n0.324717 0.547046 0.157134 O\n0.675283 0.952954 0.657134 O\n0.324717 0.452954 0.342866 O\n0.528332 0.750000 0.280912 O\n0.471668 0.250000 0.719088 O\n0.528332 0.250000 0.219088 O\n0.471668 0.750000 0.780912 O\n0.737637 0.000000 0.250000 O\n0.262363 0.500000 0.750000 O\n0.262363 0.000000 0.750000 O\n0.737637 0.500000 0.250000 O\n0.988832 0.250000 0.308717 O\n0.011168 0.750000 0.691283 O\n0.988832 0.750000 0.191283 O\n0.011168 0.250000 0.808717 O\n0.918142 0.250000 0.123388 O\n0.081858 0.750000 0.876612 O\n0.918142 0.750000 0.376612 O\n0.081858 0.250000 0.623388 O\n","nsites":52,"nelements":4,"elements":["Sm","V","I","O"],"chemical_system":"I-O-Sm-V","density":4.633665496287332,"density_atomic":0.06934246680247498,"volume":749.901213467416,"volume_molar":8.684635891529975,"formula_full":"Sm4 V8 I4 O36","formula_reduced":"SmV2IO9","formula_anonymous":"ABC2D9","energy":-395.11896818,"energy_per_atom":-7.598441695769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-356.78696818,"band_gap":2.4889,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001321,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.710000Z","spacegroup":57},{"id":"mp-556404","created_at":"2022-09-04T14:42:57.517305Z","structure_string":"Na16 Mn8 P8 O32 F8\n1.0\n5.395852 0.000000 0.000000\n0.000000 13.838182 0.000000\n0.000000 6.984921 12.061620\nNa Mn P O F\n16 8 8 32 8\ndirect\n0.235941 0.920589 0.666513 Na\n0.235865 0.164546 0.171969 Na\n0.759443 0.334672 0.336243 Na\n0.264135 0.164546 0.671969 Na\n0.735941 0.079411 0.833487 Na\n0.259443 0.665328 0.163757 Na\n0.239126 0.420206 0.912564 Na\n0.260874 0.420206 0.412564 Na\n0.739126 0.579794 0.587436 Na\n0.240557 0.665328 0.663757 Na\n0.764059 0.079411 0.333487 Na\n0.760874 0.579794 0.087436 Na\n0.764135 0.835454 0.828031 Na\n0.735865 0.835454 0.328031 Na\n0.740557 0.334672 0.836243 Na\n0.264059 0.920589 0.166513 Na\n0.227656 0.422926 0.176046 Mn\n0.770555 0.077217 0.599132 Mn\n0.729445 0.077217 0.099132 Mn\n0.272344 0.422926 0.676046 Mn\n0.229445 0.922783 0.400868 Mn\n0.727656 0.577074 0.323954 Mn\n0.772344 0.577074 0.823954 Mn\n0.270555 0.922783 0.900868 Mn\n0.785105 0.337880 0.584340 P\n0.781506 0.837889 0.076794 P\n0.718494 0.837889 0.576794 P\n0.214895 0.662120 0.415660 P\n0.218494 0.162111 0.923206 P\n0.285105 0.662120 0.915660 P\n0.281506 0.162111 0.423206 P\n0.714895 0.337880 0.084340 P\n0.069193 0.850441 0.056735 O\n0.647322 0.386066 0.648930 O\n0.289317 0.596860 0.540132 O\n0.283271 0.787587 0.365231 O\n0.852678 0.386066 0.148930 O\n0.699599 0.903871 0.134632 O\n0.427619 0.348254 0.095378 O\n0.927619 0.651746 0.404622 O\n0.430807 0.850441 0.556735 O\n0.710683 0.403140 0.459868 O\n0.147322 0.613934 0.851070 O\n0.853742 0.883481 0.463771 O\n0.800401 0.903871 0.634632 O\n0.199599 0.096129 0.365368 O\n0.717012 0.712160 0.151653 O\n0.572381 0.651746 0.904622 O\n0.146258 0.116519 0.536229 O\n0.353742 0.116519 0.036229 O\n0.072381 0.348254 0.595378 O\n0.930807 0.149559 0.943265 O\n0.352678 0.613934 0.351070 O\n0.789317 0.403140 0.959868 O\n0.783271 0.212413 0.134769 O\n0.217012 0.287840 0.348347 O\n0.282988 0.287840 0.848347 O\n0.716729 0.212413 0.634769 O\n0.300401 0.096129 0.865368 O\n0.782988 0.712160 0.651653 O\n0.210683 0.596860 0.040132 O\n0.216729 0.787587 0.865231 O\n0.569193 0.149559 0.443265 O\n0.646258 0.883481 0.963771 O\n0.499749 0.508528 0.759124 F\n0.998281 0.999278 0.235883 F\n0.498281 0.000722 0.264117 F\n0.999749 0.491472 0.740876 F\n0.001719 0.000722 0.764117 F\n0.000251 0.508528 0.259124 F\n0.500251 0.491472 0.240876 F\n0.501719 0.999278 0.735883 F\n","nsites":72,"nelements":5,"elements":["Na","Mn","P","O","F"],"chemical_system":"F-Mn-Na-O-P","density":3.169605580979178,"density_atomic":0.0799443521043564,"volume":900.6264746009058,"volume_molar":7.532915836429472,"formula_full":"Na16 Mn8 P8 O32 F8","formula_reduced":"Na2MnPO4F","formula_anonymous":"ABCD2E4","energy":-503.41322798,"energy_per_atom":-6.991850388611111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-464.38922798,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":39.9943948,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.839000Z","spacegroup":14},{"id":"mp-13136","created_at":"2022-09-04T14:42:54.294259Z","structure_string":"W1 C1\n1.0\n0.000000 2.192684 2.192684\n2.192684 0.000000 2.192684\n2.192684 2.192684 0.000000\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 C\n","nsites":2,"nelements":2,"elements":["W","C"],"chemical_system":"C-W","density":15.42467731034316,"density_atomic":0.09485753992461131,"volume":21.084249091738137,"volume_molar":6.348615792467461,"formula_full":"W1 C1","formula_reduced":"WC","formula_anonymous":"AB","energy":-21.53486925,"energy_per_atom":-10.767434625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.53486925,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003188,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.687000Z","spacegroup":225},{"id":"mp-31234","created_at":"2022-09-04T14:42:58.353644Z","structure_string":"Ca8 As14 Ir16\n1.0\n4.124242 0.000000 0.000000\n0.000000 13.078538 0.000000\n0.000000 1.931492 13.497679\nCa As Ir\n8 14 16\ndirect\n0.250000 0.101148 0.798251 Ca\n0.750000 0.898852 0.201749 Ca\n0.250000 0.288779 0.104810 Ca\n0.750000 0.711221 0.895190 Ca\n0.250000 0.514648 0.290443 Ca\n0.750000 0.485352 0.709557 Ca\n0.250000 0.214121 0.432698 Ca\n0.750000 0.785879 0.567302 Ca\n0.250000 0.060097 0.101437 As\n0.750000 0.939903 0.898563 As\n0.250000 0.308679 0.689197 As\n0.750000 0.691321 0.310803 As\n0.250000 0.608689 0.565854 As\n0.750000 0.391311 0.434146 As\n0.250000 0.848856 0.721028 As\n0.750000 0.151144 0.278972 As\n0.750000 0.255955 0.919528 As\n0.250000 0.744045 0.080472 As\n0.750000 0.096756 0.584577 As\n0.250000 0.903244 0.415423 As\n0.750000 0.468981 0.128257 As\n0.250000 0.531019 0.871743 As\n0.250000 0.985844 0.572669 Ir\n0.750000 0.014156 0.427331 Ir\n0.250000 0.665423 0.729530 Ir\n0.750000 0.334577 0.270470 Ir\n0.250000 0.555055 0.048009 Ir\n0.750000 0.444945 0.951991 Ir\n0.250000 0.053318 0.281000 Ir\n0.750000 0.946682 0.719000 Ir\n0.250000 0.424892 0.527655 Ir\n0.750000 0.575108 0.472345 Ir\n0.250000 0.920857 0.998133 Ir\n0.750000 0.079143 0.001867 Ir\n0.250000 0.720382 0.400807 Ir\n0.750000 0.279618 0.599193 Ir\n0.250000 0.342407 0.860770 Ir\n0.750000 0.657593 0.139230 Ir\n","nsites":38,"nelements":3,"elements":["Ca","As","Ir"],"chemical_system":"As-Ca-Ir","density":10.13813970631437,"density_atomic":0.05219406977353735,"volume":728.052059647324,"volume_molar":11.537978904747636,"formula_full":"Ca8 As14 Ir16","formula_reduced":"Ca4As7Ir8","formula_anonymous":"A4B7C8","energy":-247.04619241,"energy_per_atom":-6.501215589736842,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-247.04619241,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014387,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.081000Z","spacegroup":11},{"id":"mp-13931","created_at":"2022-09-04T14:42:57.522147Z","structure_string":"Ba2 Tb1 Re1 O6\n1.0\n0.000000 4.246146 4.246146\n4.246146 0.000000 4.246146\n4.246146 4.246146 0.000000\nBa Tb Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Re\n0.765695 0.234305 0.765695 O\n0.234305 0.234305 0.765695 O\n0.765695 0.765695 0.234305 O\n0.765695 0.234305 0.234305 O\n0.234305 0.765695 0.234305 O\n0.234305 0.765695 0.765695 O\n","nsites":10,"nelements":4,"elements":["Ba","Tb","Re","O"],"chemical_system":"Ba-O-Re-Tb","density":7.762749303664444,"density_atomic":0.0653108348970613,"volume":153.11395139506868,"volume_molar":9.22073767620902,"formula_full":"Ba2 Tb1 Re1 O6","formula_reduced":"Ba2TbReO6","formula_anonymous":"ABC2D6","energy":-80.93425936,"energy_per_atom":-8.093425936,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.81225936,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9995853,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.930000Z","spacegroup":225},{"id":"mp-20578","created_at":"2022-09-04T14:43:02.348277Z","structure_string":"Eu2 B8 Ir8\n1.0\n7.699602 0.000000 0.000000\n0.000000 7.699602 0.000000\n0.000000 0.000000 3.980751\nEu B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.657912 0.778783 0.608354 B\n0.157912 0.278783 0.891646 B\n0.278783 0.842088 0.108354 B\n0.721217 0.157912 0.108354 B\n0.342088 0.221217 0.608354 B\n0.842088 0.721217 0.891646 B\n0.221217 0.657912 0.391646 B\n0.778783 0.342088 0.391646 B\n0.344337 0.110733 0.107532 Ir\n0.655663 0.889267 0.107532 Ir\n0.610733 0.155663 0.607532 Ir\n0.110733 0.655663 0.892468 Ir\n0.155663 0.389267 0.392468 Ir\n0.844337 0.610733 0.392468 Ir\n0.889267 0.344337 0.892468 Ir\n0.389267 0.844337 0.607532 Ir\n","nsites":18,"nelements":3,"elements":["Eu","B","Ir"],"chemical_system":"B-Eu-Ir","density":13.5671553690128,"density_atomic":0.07627301938425786,"volume":235.99432860153766,"volume_molar":7.895505918889743,"formula_full":"Eu2 B8 Ir8","formula_reduced":"Eu(BIr)4","formula_anonymous":"AB4C4","energy":-153.90112296,"energy_per_atom":-8.550062386666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.90112296,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.8739262,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.458000Z","spacegroup":86},{"id":"mp-1079969","created_at":"2022-09-04T14:42:58.465268Z","structure_string":"Mn3 As3 Ru3\n1.0\n3.072292 -5.321365 0.000000\n3.072292 5.321365 0.000000\n0.000000 0.000000 3.833943\nMn As Ru\n3 3 3\ndirect\n0.000000 0.750181 0.000000 Mn\n0.249819 0.249819 0.000000 Mn\n0.750181 0.000000 0.000000 Mn\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n0.000000 0.000000 0.500000 As\n0.000000 0.400147 0.500000 Ru\n0.599853 0.599853 0.500000 Ru\n0.400147 0.000000 0.500000 Ru\n","nsites":9,"nelements":3,"elements":["Mn","As","Ru"],"chemical_system":"As-Mn-Ru","density":9.176749013366269,"density_atomic":0.07179287132682433,"volume":125.36063586353991,"volume_molar":8.388215499259351,"formula_full":"Mn3 As3 Ru3","formula_reduced":"MnAsRu","formula_anonymous":"ABC","energy":-69.55710612,"energy_per_atom":-7.728567346666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.55710612,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.1529729,"is_theoretical":false,"updated_at":"2021-11-28T01:36:01.952000Z","spacegroup":189}]}