{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=31","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=29","results":[{"id":"mp-1519858","created_at":"2022-09-04T14:42:12.995800Z","structure_string":"Ba1 Nd1 Fe1 Sn1 O6\n1.0\n0.000000 -4.066121 -4.066121\n4.066121 0.000000 -4.066121\n4.066121 -4.066121 0.000000\nBa Nd Fe Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Sn\n0.752899 0.247101 0.247101 O\n0.247101 0.752899 0.752899 O\n0.752899 0.247101 0.752899 O\n0.247101 0.752899 0.247101 O\n0.752899 0.752899 0.247101 O\n0.247101 0.247101 0.752899 O\n","nsites":10,"nelements":5,"elements":["Ba","Nd","Fe","Sn","O"],"chemical_system":"Ba-Fe-Nd-O-Sn","density":6.818863564657741,"density_atomic":0.07437536490916687,"volume":134.45312183964137,"volume_molar":8.096956253397504,"formula_full":"Ba1 Nd1 Fe1 Sn1 O6","formula_reduced":"BaNdFeSnO6","formula_anonymous":"ABCDE6","energy":-74.40473268,"energy_per_atom":-7.440473268,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.02673268,"band_gap":2.0832000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0000003,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.698000Z","spacegroup":216},{"id":"mp-1516561","created_at":"2022-09-04T14:40:33.870461Z","structure_string":"Ba4 Dy4 Nb4 Sn4 O24\n1.0\n8.434975 0.000000 0.000000\n0.000000 8.433000 0.000000\n0.000000 0.000000 8.475212\nBa Dy Nb Sn O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n-0.000000 0.000000 0.500000 Ba\n0.745271 0.750109 0.754820 Dy\n0.254729 0.249891 0.754820 Dy\n0.254729 0.750109 0.245180 Dy\n0.745271 0.249891 0.245180 Dy\n0.250371 0.253478 0.246043 Nb\n0.749629 0.746522 0.246043 Nb\n0.749629 0.253478 0.753957 Nb\n0.250371 0.746522 0.753957 Nb\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.014350 0.223179 0.275126 O\n0.985650 0.776821 0.275126 O\n0.985650 0.223179 0.724874 O\n0.014350 0.776821 0.724874 O\n0.283070 0.015251 0.208430 O\n0.283070 0.984749 0.791570 O\n0.716930 0.984749 0.208430 O\n0.716930 0.015251 0.791570 O\n0.208529 0.284919 0.013336 O\n0.791471 0.284919 0.986664 O\n0.208529 0.715081 0.986664 O\n0.791471 0.715081 0.013336 O\n0.485516 0.289868 0.210708 O\n0.514484 0.710132 0.210708 O\n0.514484 0.289868 0.789292 O\n0.485516 0.710132 0.789292 O\n0.229945 0.486527 0.283391 O\n0.229945 0.513473 0.716609 O\n0.770055 0.513473 0.283391 O\n0.770055 0.486527 0.716609 O\n0.285974 0.217276 0.484999 O\n0.714026 0.217276 0.515000 O\n0.285974 0.782724 0.515000 O\n0.714026 0.782724 0.484999 O\n","nsites":40,"nelements":5,"elements":["Ba","Dy","Nb","Sn","O"],"chemical_system":"Ba-Dy-Nb-O-Sn","density":6.692615082253138,"density_atomic":0.06635039623476015,"volume":602.8600018976902,"volume_molar":9.076269475004393,"formula_full":"Ba4 Dy4 Nb4 Sn4 O24","formula_reduced":"BaDyNbSnO6","formula_anonymous":"ABCDE6","energy":-321.6662893199999,"energy_per_atom":-8.041657232999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-305.17828932,"band_gap":1.9704,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.050000Z","spacegroup":16},{"id":"mp-1519260","created_at":"2022-09-04T14:43:17.383604Z","structure_string":"Ba1 Na1 Pr1 W1 O6\n1.0\n-0.000000 -4.130677 -4.130677\n4.130677 -0.000000 -4.130677\n4.130677 -4.130677 0.000000\nBa Na Pr W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 W\n0.734897 0.265103 0.265103 O\n0.265103 0.734897 0.734897 O\n0.734897 0.265103 0.734897 O\n0.265103 0.734897 0.265103 O\n0.734897 0.734897 0.265103 O\n0.265103 0.265103 0.734897 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Pr","W","O"],"chemical_system":"Ba-Na-O-Pr-W","density":6.845055669332783,"density_atomic":0.07094246832213194,"volume":140.95929048581323,"volume_molar":8.488766887352961,"formula_full":"Ba1 Na1 Pr1 W1 O6","formula_reduced":"BaNaPrWO6","formula_anonymous":"ABCDE6","energy":-77.9032349,"energy_per_atom":-7.7903234900000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.3432349,"band_gap":3.0615,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.063000Z","spacegroup":216},{"id":"mp-1218143","created_at":"2022-09-04T14:40:42.457681Z","structure_string":"Sr1 Nd1 Mn1 Co1 O6\n1.0\n0.000000 3.875289 3.875289\n3.875289 0.000000 3.875289\n3.875289 3.875289 0.000000\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Co\n0.506236 0.506236 0.993764 O\n0.993764 0.993764 0.506236 O\n0.993764 0.506236 0.506236 O\n0.506236 0.993764 0.993764 O\n0.506236 0.993764 0.506236 O\n0.993764 0.506236 0.993764 O\n","nsites":10,"nelements":5,"elements":["Sr","Nd","Mn","Co","O"],"chemical_system":"Co-Mn-Nd-O-Sr","density":6.301781723832221,"density_atomic":0.08591276916085565,"volume":116.39713278566151,"volume_molar":7.0095991769566455,"formula_full":"Sr1 Nd1 Mn1 Co1 O6","formula_reduced":"SrNdMnCoO6","formula_anonymous":"ABCDE6","energy":-76.71427362,"energy_per_atom":-7.671427362,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.28627362,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.005922,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.007000Z","spacegroup":216},{"id":"mp-1049203","created_at":"2022-09-04T14:40:05.034106Z","structure_string":"La2 Mg2 Cr2 Bi2 O12\n1.0\n5.760341 0.000000 0.000000\n0.000000 5.558809 0.000000\n0.000000 5.424050 8.121621\nLa Mg Cr Bi O\n2 2 2 2 12\ndirect\n0.306288 0.765093 0.247615 La\n0.693712 0.765093 0.747615 La\n0.799718 0.230264 0.250642 Mg\n0.200282 0.230264 0.750642 Mg\n0.244200 0.000776 0.499549 Cr\n0.755800 0.000776 0.999549 Cr\n0.245257 0.500076 0.998123 Bi\n0.754743 0.500076 0.498123 Bi\n0.833636 0.344781 0.765720 O\n0.031297 0.112263 0.073843 O\n0.055683 0.786755 0.430643 O\n0.583186 0.227363 0.073790 O\n0.554315 0.916518 0.429830 O\n0.296228 0.616110 0.730245 O\n0.166364 0.344781 0.265720 O\n0.968703 0.112263 0.573843 O\n0.944317 0.786755 0.930643 O\n0.416814 0.227363 0.573790 O\n0.445685 0.916518 0.929830 O\n0.703772 0.616110 0.230245 O\n","nsites":20,"nelements":5,"elements":["La","Mg","Cr","Bi","O"],"chemical_system":"Bi-Cr-La-Mg-O","density":6.642979198506607,"density_atomic":0.07690548779555108,"volume":260.05946484818975,"volume_molar":7.830573516430352,"formula_full":"La2 Mg2 Cr2 Bi2 O12","formula_reduced":"LaMgCrBiO6","formula_anonymous":"ABCDE6","energy":-149.44274217999998,"energy_per_atom":-7.472137108999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-137.20074218,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0127,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.707000Z","spacegroup":7},{"id":"mp-1516192","created_at":"2022-09-04T14:41:08.829922Z","structure_string":"Eu1 Ni1 Sn1 W1 O6\n1.0\n-0.000000 -3.999427 -3.999427\n3.999427 0.000000 -3.999427\n3.999427 -3.999427 0.000000\nEu Ni Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n-0.000000 0.000000 0.000000 Ni\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.743589 0.256411 0.256411 O\n0.256411 0.743589 0.743589 O\n0.743589 0.256411 0.743589 O\n0.256411 0.743589 0.256411 O\n0.743589 0.743589 0.256411 O\n0.256411 0.256411 0.743589 O\n","nsites":10,"nelements":5,"elements":["Eu","Ni","Sn","W","O"],"chemical_system":"Eu-Ni-O-Sn-W","density":7.906574781146269,"density_atomic":0.07815858384006072,"volume":127.94499987951971,"volume_molar":7.705027988126507,"formula_full":"Eu1 Ni1 Sn1 W1 O6","formula_reduced":"EuNiSnWO6","formula_anonymous":"ABCDE6","energy":-83.34796076,"energy_per_atom":-8.334796076,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.24696076,"band_gap":0.2139999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.0000007,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.781000Z","spacegroup":216},{"id":"mp-1522086","created_at":"2022-09-04T14:41:09.461255Z","structure_string":"Ca1 Nd1 Zr1 Cr1 O6\n1.0\n-0.000000 -4.016098 -4.016098\n4.016098 0.000000 -4.016098\n4.016098 -4.016098 -0.000000\nCa Nd Zr Cr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 -0.000000 Cr\n0.756362 0.243638 0.243638 O\n0.243638 0.756362 0.756362 O\n0.756362 0.243638 0.756362 O\n0.243638 0.756362 0.243638 O\n0.756362 0.756362 0.243638 O\n0.243638 0.243638 0.756362 O\n","nsites":10,"nelements":5,"elements":["Ca","Nd","Zr","Cr","O"],"chemical_system":"Ca-Cr-Nd-O-Zr","density":5.428714966291629,"density_atomic":0.0771892993501733,"volume":129.5516358379479,"volume_molar":7.801781867043829,"formula_full":"Ca1 Nd1 Zr1 Cr1 O6","formula_reduced":"CaNdZrCrO6","formula_anonymous":"ABCDE6","energy":-86.73179574,"energy_per_atom":-8.673179573999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.61079574000001,"band_gap":2.4074000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.378000Z","spacegroup":216},{"id":"mp-1519213","created_at":"2022-09-04T14:41:08.894763Z","structure_string":"K1 La1 Hf1 Sn1 O6\n1.0\n0.000000 -4.113485 -4.113485\n4.113485 0.000000 -4.113485\n4.113485 -4.113485 0.000000\nK La Hf Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749966 0.250034 0.250034 O\n0.250034 0.749966 0.749966 O\n0.749966 0.250034 0.749966 O\n0.250034 0.749966 0.250034 O\n0.749966 0.749966 0.250034 O\n0.250034 0.250034 0.749966 O\n","nsites":10,"nelements":5,"elements":["K","La","Hf","Sn","O"],"chemical_system":"Hf-K-La-O-Sn","density":6.8136163426851954,"density_atomic":0.07183568715406127,"volume":139.2065753969007,"volume_molar":8.383215917576887,"formula_full":"K1 La1 Hf1 Sn1 O6","formula_reduced":"KLaHfSnO6","formula_anonymous":"ABCDE6","energy":-80.14307035,"energy_per_atom":-8.014307035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.02107035,"band_gap":1.9904,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.968000Z","spacegroup":216},{"id":"mp-1519420","created_at":"2022-09-04T14:41:09.064823Z","structure_string":"Ba1 Sr1 Pr1 Nb1 O6\n1.0\n-0.000000 -4.351983 -4.351983\n4.351983 0.000000 -4.351983\n4.351983 -4.351983 -0.000000\nBa Sr Pr Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 -0.000000 -0.000000 Nb\n0.768307 0.231693 0.231693 O\n0.231693 0.768307 0.768307 O\n0.768307 0.231693 0.768307 O\n0.231693 0.768307 0.231693 O\n0.768307 0.768307 0.231693 O\n0.231693 0.231693 0.768307 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Pr","Nb","O"],"chemical_system":"Ba-Nb-O-Pr-Sr","density":5.5880548289908365,"density_atomic":0.060660841922225324,"volume":164.85099255333833,"volume_molar":9.927558815819154,"formula_full":"Ba1 Sr1 Pr1 Nb1 O6","formula_reduced":"BaSrPrNbO6","formula_anonymous":"ABCDE6","energy":-81.09862082999999,"energy_per_atom":-8.109862083,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.97662083,"band_gap":2.8679,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.526000Z","spacegroup":216},{"id":"mp-1516843","created_at":"2022-09-04T14:39:47.174807Z","structure_string":"Sr1 Tb1 Eu1 Sb1 O6\n1.0\n-0.000000 -4.208861 -4.208861\n4.208861 -0.000000 -4.208861\n4.208861 -4.208861 0.000000\nSr Tb Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Sb\n0.763230 0.236770 0.236770 O\n0.236770 0.763230 0.763230 O\n0.763230 0.236770 0.763230 O\n0.236770 0.763230 0.236770 O\n0.763230 0.763230 0.236770 O\n0.236770 0.236770 0.763230 O\n","nsites":10,"nelements":5,"elements":["Sr","Tb","Eu","Sb","O"],"chemical_system":"Eu-O-Sb-Sr-Tb","density":6.862674239005242,"density_atomic":0.06706196194027905,"volume":149.11582826797311,"volume_molar":8.97996507373721,"formula_full":"Sr1 Tb1 Eu1 Sb1 O6","formula_reduced":"SrTbEuSbO6","formula_anonymous":"ABCDE6","energy":-80.56765014999999,"energy_per_atom":-8.056765015,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.44565015,"band_gap":0.2960000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":7.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:34:40.889000Z","spacegroup":216},{"id":"mp-1522697","created_at":"2022-09-04T14:41:09.552522Z","structure_string":"K1 La1 Hf1 Cr1 O6\n1.0\n-0.000000 -4.000469 -4.000469\n4.000469 0.000000 -4.000469\n4.000469 -4.000469 -0.000000\nK La Hf Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 -0.000000 Cr\n0.757001 0.242999 0.242999 O\n0.242999 0.757001 0.757001 O\n0.757001 0.242999 0.757001 O\n0.242999 0.757001 0.242999 O\n0.757001 0.757001 0.242999 O\n0.242999 0.242999 0.757001 O\n","nsites":10,"nelements":5,"elements":["K","La","Hf","Cr","O"],"chemical_system":"Cr-Hf-K-La-O","density":6.542379384921092,"density_atomic":0.07809752597416086,"volume":128.0450292792703,"volume_molar":7.711051899380871,"formula_full":"K1 La1 Hf1 Cr1 O6","formula_reduced":"KLaHfCrO6","formula_anonymous":"ABCDE6","energy":-85.49542201,"energy_per_atom":-8.549542201,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.37442201,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.907000Z","spacegroup":216},{"id":"mp-1522345","created_at":"2022-09-04T14:41:09.180009Z","structure_string":"Ba2 Nd2 Eu2 W2 O12\n1.0\n6.029367 -0.032973 -0.019554\n-0.035934 6.053096 0.000329\n-0.030390 -0.002827 8.598177\nBa Nd Eu W O\n2 2 2 2 12\ndirect\n0.506225 0.529661 0.249378 Ba\n0.493775 0.470339 0.750622 Ba\n0.000000 0.500000 -0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.995074 0.036895 0.251726 Eu\n0.004926 0.963105 0.748274 Eu\n0.500000 0.000000 -0.000000 W\n0.000000 0.500000 0.500000 W\n0.229766 0.190617 0.954702 O\n0.261418 0.694076 0.532278 O\n0.770234 0.809383 0.045298 O\n0.738582 0.305924 0.467722 O\n0.303581 0.739773 0.956776 O\n0.186866 0.222144 0.545605 O\n0.696419 0.260227 0.043224 O\n0.813134 0.777856 0.454395 O\n0.408037 0.994997 0.230864 O\n0.065488 0.465897 0.267184 O\n0.591963 0.005003 0.769136 O\n0.934512 0.534103 0.732816 O\n","nsites":20,"nelements":5,"elements":["Ba","Nd","Eu","W","O"],"chemical_system":"Ba-Eu-Nd-O-W","density":7.550174330790591,"density_atomic":0.06373726234721112,"volume":313.7881870584471,"volume_molar":9.448383156455893,"formula_full":"Ba2 Nd2 Eu2 W2 O12","formula_reduced":"BaNdEuWO6","formula_anonymous":"ABCDE6","energy":-180.10133143000002,"energy_per_atom":-9.0050665715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-162.98133143,"band_gap":0.1989999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0000007,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.196000Z","spacegroup":2}]}