{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10138","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10136","results":[{"id":"mp-1215700","created_at":"2022-09-04T14:39:13.117720Z","structure_string":"Y1 Zr1 S2\n1.0\n6.196663 -1.928241 0.000000\n6.196663 1.928241 0.000000\n5.596645 0.000000 3.285471\nY Zr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zr\n0.246575 0.246575 0.246575 S\n0.753425 0.753425 0.753425 S\n","nsites":4,"nelements":3,"elements":["Y","Zr","S"],"chemical_system":"S-Y-Zr","density":5.165999486486488,"density_atomic":0.050946360745673804,"volume":78.51394960217382,"volume_molar":11.82055140319592,"formula_full":"Y1 Zr1 S2","formula_reduced":"YZrS2","formula_anonymous":"ABC2","energy":-30.92048285,"energy_per_atom":-7.7301207125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.91448285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002439,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.049000Z","spacegroup":166},{"id":"mp-1020671","created_at":"2022-09-04T14:39:13.159056Z","structure_string":"Y4 N12 O36\n1.0\n6.229126 0.000000 0.000000\n0.000000 9.884178 0.000000\n0.000000 0.589135 11.252291\nY N O\n4 12 36\ndirect\n0.681284 0.286640 0.733469 Y\n0.181284 0.213360 0.266531 Y\n0.318716 0.713360 0.266531 Y\n0.818716 0.786640 0.733469 Y\n0.387935 0.175917 0.492426 N\n0.887935 0.324083 0.507574 N\n0.612065 0.824083 0.507574 N\n0.112065 0.675917 0.492426 N\n0.732783 0.197422 0.215620 N\n0.232783 0.302578 0.784380 N\n0.267217 0.802578 0.784380 N\n0.767217 0.697422 0.215620 N\n0.717746 0.526978 0.877172 N\n0.217746 0.973022 0.122828 N\n0.282254 0.473022 0.122828 N\n0.782254 0.026978 0.877172 N\n0.424410 0.281833 0.425917 O\n0.924410 0.218167 0.574083 O\n0.575590 0.718167 0.574083 O\n0.075590 0.781833 0.425917 O\n0.267971 0.085743 0.451079 O\n0.767971 0.414257 0.548921 O\n0.732029 0.914257 0.548921 O\n0.232029 0.585743 0.451079 O\n0.465244 0.160135 0.594857 O\n0.965244 0.339865 0.405143 O\n0.534756 0.839865 0.405143 O\n0.034756 0.660135 0.594857 O\n0.822723 0.106401 0.282540 O\n0.322723 0.393599 0.717460 O\n0.177277 0.893599 0.717460 O\n0.677277 0.606401 0.282540 O\n0.535411 0.193526 0.193517 O\n0.035411 0.306474 0.806483 O\n0.464589 0.806474 0.806483 O\n0.964589 0.693526 0.193517 O\n0.848804 0.291930 0.170219 O\n0.348804 0.208070 0.829781 O\n0.151196 0.708070 0.829781 O\n0.651196 0.791930 0.170219 O\n0.734119 0.542417 0.761325 O\n0.234119 0.957583 0.238675 O\n0.265881 0.457583 0.238675 O\n0.765881 0.042417 0.761325 O\n0.663270 0.411219 0.918393 O\n0.163270 0.088781 0.081607 O\n0.336730 0.588781 0.081607 O\n0.836730 0.911219 0.918393 O\n0.757155 0.625027 0.937489 O\n0.257155 0.874973 0.062511 O\n0.242845 0.374973 0.062511 O\n0.742845 0.125027 0.937489 O\n","nsites":52,"nelements":3,"elements":["Y","N","O"],"chemical_system":"N-O-Y","density":2.635770932638115,"density_atomic":0.07505760716990105,"volume":692.8011957840909,"volume_molar":8.023358307130987,"formula_full":"Y4 N12 O36","formula_reduced":"Y(NO3)3","formula_anonymous":"AB3C9","energy":-379.59700537,"energy_per_atom":-7.299942410961538,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-354.86500537,"band_gap":3.0336,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0016642,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.098000Z","spacegroup":14},{"id":"mp-1210857","created_at":"2022-09-04T14:39:20.744264Z","structure_string":"Mg52 Ag14\n1.0\n0.000000 8.853983 8.853983\n8.853983 0.000000 8.853983\n8.853983 8.853983 0.000000\nMg Ag\n52 14\ndirect\n0.450393 0.273284 0.726716 Mg\n0.549607 0.726716 0.273284 Mg\n0.273284 0.450393 0.549607 Mg\n0.726716 0.549607 0.450393 Mg\n0.726716 0.450393 0.273284 Mg\n0.273284 0.549607 0.726716 Mg\n0.549607 0.273284 0.450393 Mg\n0.450393 0.726716 0.549607 Mg\n0.273284 0.726716 0.450393 Mg\n0.726716 0.273284 0.549607 Mg\n0.549607 0.450393 0.726716 Mg\n0.450393 0.549607 0.273284 Mg\n0.785677 0.214323 0.214323 Mg\n0.214323 0.785677 0.785677 Mg\n0.214323 0.785677 0.214323 Mg\n0.785677 0.214323 0.785677 Mg\n0.214323 0.214323 0.785677 Mg\n0.785677 0.785677 0.214323 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.318155 0.991051 0.201792 Mg\n0.681845 0.008949 0.798208 Mg\n0.991051 0.318155 0.489002 Mg\n0.201792 0.489002 0.318155 Mg\n0.201792 0.318155 0.991051 Mg\n0.008949 0.681845 0.510998 Mg\n0.798208 0.510998 0.681845 Mg\n0.798208 0.681845 0.008949 Mg\n0.489002 0.201792 0.991051 Mg\n0.489002 0.991051 0.318155 Mg\n0.510998 0.798208 0.008949 Mg\n0.510998 0.008949 0.681845 Mg\n0.318155 0.201792 0.489002 Mg\n0.681845 0.798208 0.510998 Mg\n0.991051 0.489002 0.201792 Mg\n0.008949 0.510998 0.798208 Mg\n0.991051 0.201792 0.318155 Mg\n0.008949 0.798208 0.681845 Mg\n0.489002 0.318155 0.201792 Mg\n0.510998 0.681845 0.798208 Mg\n0.201792 0.991051 0.489002 Mg\n0.798208 0.008949 0.510998 Mg\n0.318155 0.489002 0.991051 Mg\n0.681845 0.510998 0.008949 Mg\n0.093200 0.093200 0.093200 Mg\n0.906800 0.906800 0.906800 Mg\n0.093200 0.093200 0.720400 Mg\n0.093200 0.720400 0.093200 Mg\n0.906800 0.906800 0.279600 Mg\n0.906800 0.279600 0.906800 Mg\n0.720400 0.093200 0.093200 Mg\n0.279600 0.906800 0.906800 Mg\n0.382818 0.066904 0.933096 Ag\n0.617182 0.933096 0.066904 Ag\n0.066904 0.382818 0.617182 Ag\n0.933096 0.617182 0.382818 Ag\n0.933096 0.382818 0.066904 Ag\n0.066904 0.617182 0.933096 Ag\n0.617182 0.066904 0.382818 Ag\n0.382818 0.933096 0.617182 Ag\n0.066904 0.933096 0.382818 Ag\n0.933096 0.066904 0.617182 Ag\n0.617182 0.382818 0.933096 Ag\n0.382818 0.617182 0.066904 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n","nsites":66,"nelements":2,"elements":["Mg","Ag"],"chemical_system":"Ag-Mg","density":3.3182707915039753,"density_atomic":0.047544237700072566,"volume":1388.1808436251206,"volume_molar":12.666394607039432,"formula_full":"Mg52 Ag14","formula_reduced":"Mg26Ag7","formula_anonymous":"A7B26","energy":-125.70815326,"energy_per_atom":-1.904668988787879,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.70815326,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3107623,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30Z","spacegroup":202},{"id":"mp-759556","created_at":"2022-09-04T14:39:20.981443Z","structure_string":"Li2 V6 O10 F6\n1.0\n3.834932 0.000000 0.000000\n0.000000 6.655824 0.000000\n0.000000 2.628199 11.763275\nLi V O F\n2 6 10 6\ndirect\n0.000000 0.181378 0.312630 Li\n0.500000 0.811884 0.678973 Li\n0.500000 0.135612 0.056334 V\n0.500000 0.321236 0.544207 V\n0.500000 0.270542 0.798601 V\n0.000000 0.727137 0.201007 V\n0.000000 0.680070 0.461066 V\n0.000000 0.920418 0.924770 V\n0.000000 0.034769 0.069584 O\n0.500000 0.126068 0.670491 O\n0.000000 0.181731 0.828937 O\n0.000000 0.491901 0.279989 O\n0.000000 0.388091 0.524023 O\n0.500000 0.351846 0.953454 O\n0.500000 0.616050 0.476032 O\n0.500000 0.501135 0.710545 O\n0.000000 0.864024 0.329597 O\n0.500000 0.966580 0.935397 O\n0.500000 0.205673 0.199226 F\n0.500000 0.179679 0.426434 F\n0.000000 0.661535 0.046646 F\n0.500000 0.794509 0.175699 F\n0.000000 0.821343 0.579382 F\n0.000000 0.766788 0.816981 F\n","nsites":24,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.2824140029281086,"density_atomic":0.07993251811399975,"volume":300.25327071231766,"volume_molar":7.534031082833177,"formula_full":"Li2 V6 O10 F6","formula_reduced":"LiV3O5F3","formula_anonymous":"AB3C3D5","energy":-182.8245525,"energy_per_atom":-7.6176896875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-162.9825525,"band_gap":0.7426000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0001617,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.210000Z","spacegroup":6},{"id":"mp-1026681","created_at":"2022-09-04T14:39:21.051551Z","structure_string":"Na1 Mg14 Mo1\n1.0\n6.347867 -0.102830 0.000000\n-3.262987 5.651659 0.000000\n0.000000 0.000000 10.021244\nNa Mg Mo\n1 14 1\ndirect\n0.167513 0.333756 0.125000 Na\n0.171439 0.335719 0.625000 Mg\n0.168071 0.834035 0.625000 Mg\n0.667407 0.334354 0.125000 Mg\n0.666435 0.336446 0.625000 Mg\n0.667407 0.833051 0.125000 Mg\n0.666435 0.829987 0.625000 Mg\n0.325687 0.151093 0.366938 Mg\n0.325687 0.151093 0.883062 Mg\n0.325687 0.674594 0.366938 Mg\n0.325687 0.674594 0.883062 Mg\n0.826785 0.163393 0.379508 Mg\n0.826785 0.163393 0.870492 Mg\n0.844008 0.672004 0.363878 Mg\n0.844008 0.672004 0.886122 Mg\n0.180961 0.840480 0.125000 Mo\n","nsites":16,"nelements":3,"elements":["Na","Mg","Mo"],"chemical_system":"Mg-Mo-Na","density":2.140948595349101,"density_atomic":0.0449236943678358,"volume":356.1594883312978,"volume_molar":13.40526607337908,"formula_full":"Na1 Mg14 Mo1","formula_reduced":"NaMg14Mo","formula_anonymous":"ABC14","energy":-32.0657979,"energy_per_atom":-2.00411236875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.0657979,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7381147,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.186000Z","spacegroup":38},{"id":"mp-1226133","created_at":"2022-09-04T14:39:21.280515Z","structure_string":"Co1 Mo4 N5\n1.0\n1.426997 -12.343924 0.000000\n1.426997 12.343924 0.000000\n0.000000 0.000000 2.812446\nCo Mo N\n1 4 5\ndirect\n0.990378 0.009622 0.000000 Co\n0.404272 0.595728 0.000000 Mo\n0.801800 0.198200 0.000000 Mo\n0.198800 0.801200 0.000000 Mo\n0.599358 0.400642 0.000000 Mo\n0.469214 0.530786 0.500000 N\n0.869544 0.130456 0.500000 N\n0.266748 0.733252 0.500000 N\n0.666330 0.333670 0.500000 N\n0.067015 0.932985 0.500000 N\n","nsites":10,"nelements":3,"elements":["Co","Mo","N"],"chemical_system":"Co-Mo-N","density":8.592994611040304,"density_atomic":0.10092749923131901,"volume":99.08102426159074,"volume_molar":5.966798747482745,"formula_full":"Co1 Mo4 N5","formula_reduced":"CoMo4N5","formula_anonymous":"AB4C5","energy":-94.70468678,"energy_per_atom":-9.470468678,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.89968678,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0444717,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.484000Z","spacegroup":38},{"id":"mp-558940","created_at":"2022-09-04T14:39:13.082269Z","structure_string":"Pr12 S12 N4\n1.0\n4.086085 0.000000 0.000000\n0.000000 12.269509 0.000000\n0.000000 0.000000 13.239681\nPr S N\n12 12 4\ndirect\n0.250000 0.088201 0.372966 Pr\n0.250000 0.037674 0.849827 Pr\n0.750000 0.962326 0.150173 Pr\n0.250000 0.725441 0.368089 Pr\n0.250000 0.588201 0.127034 Pr\n0.750000 0.774559 0.868089 Pr\n0.250000 0.537674 0.650173 Pr\n0.750000 0.462326 0.349827 Pr\n0.750000 0.411799 0.872966 Pr\n0.250000 0.225441 0.131911 Pr\n0.750000 0.274559 0.631911 Pr\n0.750000 0.911799 0.627034 Pr\n0.250000 0.857863 0.998310 S\n0.750000 0.642137 0.498310 S\n0.250000 0.357863 0.501690 S\n0.750000 0.733225 0.201005 S\n0.750000 0.422643 0.107292 S\n0.750000 0.142137 0.001690 S\n0.750000 0.922643 0.392708 S\n0.250000 0.266775 0.798995 S\n0.750000 0.233225 0.298995 S\n0.250000 0.766775 0.701005 S\n0.250000 0.577357 0.892708 S\n0.250000 0.077357 0.607292 S\n0.250000 0.049616 0.201881 N\n0.250000 0.549616 0.298119 N\n0.750000 0.950384 0.798119 N\n0.750000 0.450384 0.701881 N\n","nsites":28,"nelements":3,"elements":["Pr","S","N"],"chemical_system":"N-Pr-S","density":5.332892090663874,"density_atomic":0.04218382239830125,"volume":663.7615656453069,"volume_molar":14.275948497835778,"formula_full":"Pr12 S12 N4","formula_reduced":"Pr3S3N","formula_anonymous":"AB3C3","energy":-200.74241743,"energy_per_atom":-7.169372051071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.26241743,"band_gap":1.1501,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012885,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.687000Z","spacegroup":62},{"id":"mp-1234552","created_at":"2022-09-04T14:39:13.085813Z","structure_string":"Ca1 Sm4 Tm4 O12\n1.0\n6.377831 0.000000 0.174443\n0.000000 7.615061 0.000000\n0.179701 0.000000 6.560093\nCa Sm Tm O\n1 4 4 12\ndirect\n0.675545 0.250000 0.780493 Ca\n0.010810 0.250000 0.131396 Sm\n0.487921 0.750000 0.502974 Sm\n0.509013 0.250000 0.358853 Sm\n0.876999 0.750000 0.045950 Sm\n0.077803 0.019134 0.565823 Tm\n0.077803 0.480866 0.565823 Tm\n0.383645 0.958818 0.987364 Tm\n0.383645 0.541182 0.987364 Tm\n0.140965 0.750000 0.629944 O\n0.128633 0.531034 0.234476 O\n0.128633 0.968966 0.234476 O\n0.409962 0.451366 0.640804 O\n0.409962 0.048634 0.640804 O\n0.381306 0.250000 0.037777 O\n0.582346 0.750000 0.841547 O\n0.609233 0.948827 0.228153 O\n0.609233 0.551173 0.228153 O\n0.926291 0.048811 0.869604 O\n0.926291 0.451189 0.869604 O\n0.857712 0.250000 0.472785 O\n","nsites":21,"nelements":4,"elements":["Ca","Sm","Tm","O"],"chemical_system":"Ca-O-Sm-Tm","density":7.871884726090442,"density_atomic":0.06596118020441324,"volume":318.369076097807,"volume_molar":9.129825666153073,"formula_full":"Ca1 Sm4 Tm4 O12","formula_reduced":"CaSm4Tm4O12","formula_anonymous":"AB4C4D12","energy":-171.75641341,"energy_per_atom":-8.178876829047619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-163.51241341,"band_gap":0.0171999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0053419,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.235000Z","spacegroup":6},{"id":"mp-755500","created_at":"2022-09-04T14:39:13.088703Z","structure_string":"Li8 Al2 Cr6 O16\n1.0\n-0.000807 5.066302 -0.000505\n7.330095 0.842761 4.862083\n4.397421 -0.844623 -4.860794\nLi Al Cr O\n8 2 6 16\ndirect\n0.002206 0.499078 0.499516 Li\n0.002130 0.999079 0.999516 Li\n0.497846 0.875925 0.875469 Li\n0.497784 0.375928 0.375432 Li\n0.498725 0.124465 0.123799 Li\n0.498697 0.624469 0.623832 Li\n0.001317 0.250552 0.251118 Li\n0.001302 0.750549 0.751168 Li\n0.249956 0.687485 0.187508 Al\n0.250023 0.187478 0.687495 Al\n0.250061 0.437479 0.937489 Cr\n0.750225 0.810914 0.311698 Cr\n0.749717 0.064087 0.563303 Cr\n0.249952 0.937477 0.437554 Cr\n0.750291 0.310994 0.811580 Cr\n0.749760 0.564059 0.063375 Cr\n0.126802 0.224572 0.946146 O\n0.126780 0.724531 0.446230 O\n0.373228 0.650435 0.928861 O\n0.373172 0.150432 0.428818 O\n0.374070 0.389849 0.670342 O\n0.374037 0.889817 0.170424 O\n0.125970 0.485137 0.204626 O\n0.125908 0.985161 0.704652 O\n0.624101 0.352151 0.080277 O\n0.624036 0.852175 0.580354 O\n0.875970 0.522904 0.794669 O\n0.875899 0.022830 0.294663 O\n0.605970 0.604067 0.325967 O\n0.606029 0.104170 0.825876 O\n0.893986 0.770848 0.049180 O\n0.894046 0.270900 0.549063 O\n","nsites":32,"nelements":4,"elements":["Li","Al","Cr","O"],"chemical_system":"Al-Cr-Li-O","density":3.89472244599894,"density_atomic":0.11078857317214973,"volume":288.83845223168044,"volume_molar":5.435705675749112,"formula_full":"Li8 Al2 Cr6 O16","formula_reduced":"Li4AlCr3O8","formula_anonymous":"AB3C4D8","energy":-242.10770751,"energy_per_atom":-7.5658658596875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-219.12170751,"band_gap":2.9174,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.970000Z","spacegroup":2},{"id":"mp-1226842","created_at":"2022-09-04T14:39:13.090942Z","structure_string":"Cd1 Ga4 As4 S1\n1.0\n-2.889147 -2.889147 0.000000\n0.000000 2.889147 -2.889147\n8.702979 -11.592126 -8.702979\nCd Ga As S\n1 4 4 1\ndirect\n0.999915 0.000085 0.000256 Cd\n0.598599 0.401401 0.204203 Ga\n0.199425 0.800575 0.401725 Ga\n0.799949 0.200051 0.600154 Ga\n0.400869 0.599131 0.797392 Ga\n0.947956 0.052044 0.156131 As\n0.548993 0.451007 0.353020 As\n0.149628 0.850372 0.551117 As\n0.750138 0.249862 0.749587 As\n0.354528 0.645472 0.936416 S\n","nsites":10,"nelements":4,"elements":["Cd","Ga","As","S"],"chemical_system":"As-Cd-Ga-S","density":4.960340489259346,"density_atomic":0.04131344564692523,"volume":242.05194806219833,"volume_molar":14.576709024627677,"formula_full":"Cd1 Ga4 As4 S1","formula_reduced":"CdGa4As4S","formula_anonymous":"ABC4D4","energy":-40.29825988,"energy_per_atom":-4.029825988000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.79525988,"band_gap":0.1737999999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002597,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.379000Z","spacegroup":160},{"id":"mp-1210532","created_at":"2022-09-04T14:39:13.094206Z","structure_string":"Lu10 Bi2 Pd4\n1.0\n-3.804237 3.804237 6.866543\n3.804237 -3.804237 6.866543\n3.804237 3.804237 -6.866543\nLu Bi Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.795175 0.295175 0.811919 Lu\n0.204825 0.704825 0.188081 Lu\n0.483257 0.983257 0.188081 Lu\n0.295175 0.483257 0.500000 Lu\n0.016743 0.204825 0.500000 Lu\n0.516743 0.016743 0.811919 Lu\n0.704825 0.516743 0.500000 Lu\n0.983257 0.795175 0.500000 Lu\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.137986 0.637986 0.775972 Pd\n0.862014 0.362014 0.224028 Pd\n0.637986 0.862014 0.500000 Pd\n0.362014 0.137986 0.500000 Pd\n","nsites":16,"nelements":3,"elements":["Lu","Bi","Pd"],"chemical_system":"Bi-Lu-Pd","density":10.833540229023974,"density_atomic":0.040251930750977286,"volume":397.49646045516795,"volume_molar":14.961122727892471,"formula_full":"Lu10 Bi2 Pd4","formula_reduced":"Lu5BiPd2","formula_anonymous":"AB2C5","energy":-85.05150466,"energy_per_atom":-5.31571904125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.05150466,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011747,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.536000Z","spacegroup":140},{"id":"mp-553991","created_at":"2022-09-04T14:39:13.124257Z","structure_string":"Ti1 Ga4 O8\n1.0\n1.528410 6.220307 0.000000\n-1.528410 6.220307 0.000000\n0.000000 5.430501 7.924802\nTi Ga O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.464285 0.464285 0.712020 Ga\n0.240649 0.240649 0.362582 Ga\n0.759351 0.759351 0.637418 Ga\n0.535715 0.535715 0.287980 Ga\n0.107734 0.107734 0.309723 O\n0.445263 0.445263 0.918859 O\n0.554737 0.554737 0.081141 O\n0.166698 0.166698 0.781743 O\n0.892266 0.892266 0.690277 O\n0.354483 0.354483 0.459252 O\n0.645517 0.645517 0.540748 O\n0.833302 0.833302 0.218257 O\n","nsites":13,"nelements":3,"elements":["Ti","Ga","O"],"chemical_system":"Ga-O-Ti","density":5.011361246992628,"density_atomic":0.08627267145797969,"volume":150.68502899358845,"volume_molar":6.980357346339005,"formula_full":"Ti1 Ga4 O8","formula_reduced":"Ti(GaO2)4","formula_anonymous":"AB4C8","energy":-92.75259724,"energy_per_atom":-7.134815172307692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.25659724,"band_gap":2.3612,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007172,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.572000Z","spacegroup":12}]}