{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=12131","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=12129","results":[{"id":"mp-1517760","created_at":"2022-09-04T14:47:55.354784Z","structure_string":"Sr1 Ti1 Nb1 Sn1 O6\n1.0\n0.000000 -4.022090 -4.022090\n4.022090 0.000000 -4.022090\n4.022090 -4.022090 0.000000\nSr Ti Nb Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Sn\n0.747506 0.252494 0.252494 O\n0.252494 0.747506 0.747506 O\n0.747506 0.252494 0.747506 O\n0.252494 0.747506 0.252494 O\n0.747506 0.747506 0.252494 O\n0.252494 0.252494 0.747506 O\n","nsites":10,"nelements":5,"elements":["Sr","Ti","Nb","Sn","O"],"chemical_system":"Nb-O-Sn-Sr-Ti","density":5.654123407579958,"density_atomic":0.07684482950233983,"volume":130.1323727928307,"volume_molar":7.836754663912208,"formula_full":"Sr1 Ti1 Nb1 Sn1 O6","formula_reduced":"SrTiNbSnO6","formula_anonymous":"ABCDE6","energy":-82.43739646,"energy_per_atom":-8.243739646,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.31539646,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2917542,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.313000Z","spacegroup":216},{"id":"mp-1523102","created_at":"2022-09-04T14:48:02.766676Z","structure_string":"Ba2 Sr2 Nd2 W2 O12\n1.0\n6.068310 -0.003817 -0.041633\n-0.006678 6.077081 -0.005186\n-0.061938 -0.010731 8.539161\nBa Sr Nd W O\n2 2 2 2 12\ndirect\n0.507333 0.526865 0.248776 Ba\n0.492667 0.473135 0.751224 Ba\n0.992844 0.033679 0.253456 Sr\n0.007156 0.966321 0.746544 Sr\n-0.000000 0.500000 -0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.500000 -0.000000 -0.000000 W\n-0.000000 0.500000 0.500000 W\n0.237156 0.196520 0.954455 O\n0.263672 0.696426 0.525757 O\n0.762844 0.803480 0.045545 O\n0.736328 0.303574 0.474243 O\n0.296396 0.739565 0.957107 O\n0.192085 0.225872 0.546017 O\n0.703604 0.260435 0.042893 O\n0.807915 0.774128 0.453983 O\n0.413193 0.001510 0.227270 O\n0.067857 0.468739 0.270838 O\n0.586807 0.998490 0.772730 O\n0.932143 0.531261 0.729162 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","Nd","W","O"],"chemical_system":"Ba-Nd-O-Sr-W","density":6.845184927768775,"density_atomic":0.06351472096084325,"volume":314.8876307325663,"volume_molar":9.48148817927208,"formula_full":"Ba2 Sr2 Nd2 W2 O12","formula_reduced":"BaSrNdWO6","formula_anonymous":"ABCDE6","energy":-163.24217045,"energy_per_atom":-8.1621085225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-146.12217045,"band_gap":2.0977,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.716000Z","spacegroup":2},{"id":"mp-1517668","created_at":"2022-09-04T14:47:40.218107Z","structure_string":"Sr1 Cr1 Sn1 Bi1 O6\n1.0\n0.000000 -4.014900 -4.014900\n4.014900 -0.000000 -4.014900\n4.014900 -4.014900 -0.000000\nSr Cr Sn Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Bi\n0.753665 0.246335 0.246335 O\n0.246335 0.753665 0.753665 O\n0.753665 0.246335 0.753665 O\n0.246335 0.753665 0.246335 O\n0.753665 0.753665 0.246335 O\n0.246335 0.246335 0.753665 O\n","nsites":10,"nelements":5,"elements":["Sr","Cr","Sn","Bi","O"],"chemical_system":"Bi-Cr-O-Sn-Sr","density":7.226647825041883,"density_atomic":0.07725841716843569,"volume":129.435734855898,"volume_molar":7.794802146762561,"formula_full":"Sr1 Cr1 Sn1 Bi1 O6","formula_reduced":"SrCrSnBiO6","formula_anonymous":"ABCDE6","energy":-70.53197918,"energy_per_atom":-7.0531979179999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.41097918,"band_gap":0.9519000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.578000Z","spacegroup":216},{"id":"mp-1521141","created_at":"2022-09-04T14:48:02.105239Z","structure_string":"Na1 Ca1 Hf1 Nb1 O6\n1.0\n-0.000000 -4.057222 -4.057222\n4.057222 -0.000000 -4.057222\n4.057222 -4.057222 0.000000\nNa Ca Hf Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.746352 0.253648 0.253648 O\n0.253648 0.746352 0.746352 O\n0.746352 0.253648 0.746352 O\n0.253648 0.746352 0.253648 O\n0.746352 0.746352 0.253648 O\n0.253648 0.253648 0.746352 O\n","nsites":10,"nelements":5,"elements":["Na","Ca","Hf","Nb","O"],"chemical_system":"Ca-Hf-Na-Nb-O","density":5.351384323438134,"density_atomic":0.07486583781403919,"volume":133.57227130536103,"volume_molar":8.043910194337931,"formula_full":"Na1 Ca1 Hf1 Nb1 O6","formula_reduced":"NaCaHfNbO6","formula_anonymous":"ABCDE6","energy":-85.54760351,"energy_per_atom":-8.554760351,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.42560351,"band_gap":2.41,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.406000Z","spacegroup":216},{"id":"mp-1522682","created_at":"2022-09-04T14:47:39.989159Z","structure_string":"Na1 Sr1 Ti1 Bi1 O6\n1.0\n0.000000 -4.062709 -4.062709\n4.062709 0.000000 -4.062709\n4.062709 -4.062709 0.000000\nNa Sr Ti Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Ti\n0.000000 -0.000000 0.000000 Bi\n0.741339 0.258661 0.258661 O\n0.258661 0.741339 0.741339 O\n0.741339 0.258661 0.741339 O\n0.258661 0.741339 0.258661 O\n0.741339 0.741339 0.258661 O\n0.258661 0.258661 0.741339 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Ti","Bi","O"],"chemical_system":"Bi-Na-O-Sr-Ti","density":5.7382330755486155,"density_atomic":0.07456291114613431,"volume":134.11493524443011,"volume_molar":8.076590180602432,"formula_full":"Na1 Sr1 Ti1 Bi1 O6","formula_reduced":"NaSrTiBiO6","formula_anonymous":"ABCDE6","energy":-69.01429596,"energy_per_atom":-6.901429596,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.89229596,"band_gap":0.6261000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.895000Z","spacegroup":216},{"id":"mp-1518358","created_at":"2022-09-04T14:41:15.211395Z","structure_string":"Na1 Nd1 Hf1 Sn1 O6\n1.0\n0.000000 -4.078157 -4.078157\n4.078157 0.000000 -4.078157\n4.078157 -4.078157 0.000000\nNa Nd Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749616 0.250384 0.250384 O\n0.250384 0.749616 0.749616 O\n0.749616 0.250384 0.749616 O\n0.250384 0.749616 0.250384 O\n0.749616 0.749616 0.250384 O\n0.250384 0.250384 0.749616 O\n","nsites":10,"nelements":5,"elements":["Na","Nd","Hf","Sn","O"],"chemical_system":"Hf-Na-Nd-O-Sn","density":6.860365193754316,"density_atomic":0.07371878706444746,"volume":135.65063124624749,"volume_molar":8.169071955477564,"formula_full":"Na1 Nd1 Hf1 Sn1 O6","formula_reduced":"NaNdHfSnO6","formula_anonymous":"ABCDE6","energy":-79.28184181,"energy_per_atom":-7.928184181000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.15984181,"band_gap":3.3638,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007135,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.899000Z","spacegroup":216},{"id":"mp-1517581","created_at":"2022-09-04T14:41:13.007116Z","structure_string":"Ba1 Na1 Sm1 Se1 O6\n1.0\n0.000000 -4.122617 -4.122617\n4.122617 0.000000 -4.122617\n4.122617 -4.122617 0.000000\nBa Na Sm Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Se\n0.777152 0.222848 0.222848 O\n0.222848 0.777152 0.777152 O\n0.777152 0.222848 0.777152 O\n0.222848 0.777152 0.222848 O\n0.777152 0.777152 0.222848 O\n0.222848 0.222848 0.777152 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Sm","Se","O"],"chemical_system":"Ba-Na-O-Se-Sm","density":5.7545116592205545,"density_atomic":0.07135937456710778,"volume":140.13575736423812,"volume_molar":8.439172563566485,"formula_full":"Ba1 Na1 Sm1 Se1 O6","formula_reduced":"BaNaSmSeO6","formula_anonymous":"ABCDE6","energy":-64.98391742,"energy_per_atom":-6.498391742,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.86191742,"band_gap":1.8646000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.107000Z","spacegroup":216},{"id":"mp-1522774","created_at":"2022-09-04T14:41:15.203864Z","structure_string":"K1 Pr1 Dy1 Ge1 O6\n1.0\n0.000000 -4.093275 -4.093275\n4.093275 0.000000 -4.093275\n4.093275 -4.093275 -0.000000\nK Pr Dy Ge O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Ge\n0.731519 0.268481 0.268481 O\n0.268481 0.731519 0.731519 O\n0.731519 0.268481 0.731519 O\n0.268481 0.731519 0.268481 O\n0.731519 0.731519 0.268481 O\n0.268481 0.268481 0.731519 O\n","nsites":10,"nelements":5,"elements":["K","Pr","Dy","Ge","O"],"chemical_system":"Dy-Ge-K-O-Pr","density":6.187969980417198,"density_atomic":0.07290498674900396,"volume":137.16482844209037,"volume_molar":8.260259041995196,"formula_full":"K1 Pr1 Dy1 Ge1 O6","formula_reduced":"KPrDyGeO6","formula_anonymous":"ABCDE6","energy":-72.03669048,"energy_per_atom":-7.203669048,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.91469048,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.649000Z","spacegroup":216},{"id":"mp-1521152","created_at":"2022-09-04T14:41:12.832005Z","structure_string":"Sr1 Eu1 Dy1 W1 O6\n1.0\n0.000000 -4.190988 -4.190988\n4.190988 -0.000000 -4.190988\n4.190988 -4.190988 -0.000000\nSr Eu Dy W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.736548 0.263452 0.263452 O\n0.263452 0.736548 0.736548 O\n0.736548 0.263452 0.736548 O\n0.263452 0.736548 0.263452 O\n0.736548 0.736548 0.263452 O\n0.263452 0.263452 0.736548 O\n","nsites":10,"nelements":5,"elements":["Sr","Eu","Dy","W","O"],"chemical_system":"Dy-Eu-O-Sr-W","density":7.691366965137984,"density_atomic":0.06792360885065417,"volume":147.22421510298904,"volume_molar":8.86604946630718,"formula_full":"Sr1 Eu1 Dy1 W1 O6","formula_reduced":"SrEuDyWO6","formula_anonymous":"ABCDE6","energy":-89.08353637000002,"energy_per_atom":-8.908353637000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.52353636999999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0028751,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.194000Z","spacegroup":216},{"id":"mp-1517329","created_at":"2022-09-04T14:41:12.472109Z","structure_string":"Na1 Sr1 Gd1 Se1 O6\n1.0\n0.000000 -4.054526 -4.054526\n4.054526 0.000000 -4.054526\n4.054526 -4.054526 0.000000\nNa Sr Gd Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Se\n0.724850 0.275150 0.275150 O\n0.275150 0.724850 0.724850 O\n0.724850 0.275150 0.724850 O\n0.275150 0.724850 0.275150 O\n0.724850 0.724850 0.275150 O\n0.275150 0.275150 0.724850 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Gd","Se","O"],"chemical_system":"Gd-Na-O-Se-Sr","density":5.515975179182313,"density_atomic":0.07501528009510704,"volume":133.3061742530541,"volume_molar":8.027885455289798,"formula_full":"Na1 Sr1 Gd1 Se1 O6","formula_reduced":"NaSrGdSeO6","formula_anonymous":"ABCDE6","energy":-74.32724716,"energy_per_atom":-7.432724716,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.20524716,"band_gap":2.0319,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.390000Z","spacegroup":216},{"id":"mp-1519408","created_at":"2022-09-04T14:41:12.854554Z","structure_string":"Sr1 Ca1 Tb1 Co1 O6\n1.0\n0.000000 -4.031356 -4.031356\n4.031356 -0.000000 -4.031356\n4.031356 -4.031356 0.000000\nSr Ca Tb Co O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 -0.000000 0.000000 Co\n0.770829 0.229171 0.229171 O\n0.229171 0.770829 0.770829 O\n0.770829 0.229171 0.770829 O\n0.229171 0.770829 0.229171 O\n0.770829 0.770829 0.229171 O\n0.229171 0.229171 0.770829 O\n","nsites":10,"nelements":5,"elements":["Sr","Ca","Tb","Co","O"],"chemical_system":"Ca-Co-O-Sr-Tb","density":5.595622827839451,"density_atomic":0.07631616706975786,"volume":131.0338344280231,"volume_molar":7.891041952480893,"formula_full":"Sr1 Ca1 Tb1 Co1 O6","formula_reduced":"SrCaTbCoO6","formula_anonymous":"ABCDE6","energy":-70.13761257,"energy_per_atom":-7.0137612570000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.37761257,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0000009,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.482000Z","spacegroup":216},{"id":"mp-1519362","created_at":"2022-09-04T14:41:11.460675Z","structure_string":"Eu1 Hf1 Cr1 Bi1 O6\n1.0\n0.000000 -4.022308 -4.022308\n4.022308 0.000000 -4.022308\n4.022308 -4.022308 -0.000000\nEu Hf Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Hf\n-0.000000 0.000000 -0.000000 Cr\n0.750000 0.750000 0.750000 Bi\n0.754698 0.245302 0.245302 O\n0.245302 0.754698 0.754698 O\n0.754698 0.245302 0.754698 O\n0.245302 0.754698 0.245302 O\n0.754698 0.754698 0.245302 O\n0.245302 0.245302 0.754698 O\n","nsites":10,"nelements":5,"elements":["Eu","Hf","Cr","Bi","O"],"chemical_system":"Bi-Cr-Eu-Hf-O","density":8.770405152959485,"density_atomic":0.0768323357314118,"volume":130.15353372774848,"volume_molar":7.838029005199089,"formula_full":"Eu1 Hf1 Cr1 Bi1 O6","formula_reduced":"EuHfCrBiO6","formula_anonymous":"ABCDE6","energy":-91.06857579,"energy_per_atom":-9.106857579,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.94757579,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.8614031,"is_theoretical":true,"updated_at":"2021-11-28T01:35:15.697000Z","spacegroup":216}]}