{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=62","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=60","results":[{"id":"mp-1516601","created_at":"2022-09-04T14:41:21.677121Z","structure_string":"Ba1 Ca1 Dy1 Nb1 O6\n1.0\n0.000000 -4.233424 -4.233424\n4.233424 0.000000 -4.233424\n4.233424 -4.233424 0.000000\nBa Ca Dy Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Nb\n0.737601 0.262399 0.262399 O\n0.262399 0.737601 0.737601 O\n0.737601 0.262399 0.737601 O\n0.262399 0.737601 0.262399 O\n0.737601 0.737601 0.262399 O\n0.262399 0.262399 0.737601 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Dy","Nb","O"],"chemical_system":"Ba-Ca-Dy-Nb-O","density":5.7868421370316545,"density_atomic":0.0659014092363523,"volume":151.74182336731934,"volume_molar":9.138106194970543,"formula_full":"Ba1 Ca1 Dy1 Nb1 O6","formula_reduced":"BaCaDyNbO6","formula_anonymous":"ABCDE6","energy":-81.90780213,"energy_per_atom":-8.190780213,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.78580213,"band_gap":2.856,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:14.863000Z","spacegroup":216},{"id":"mp-1522333","created_at":"2022-09-04T14:41:05.477740Z","structure_string":"Na4 Sr4 Pr4 W4 O24\n1.0\n8.444918 0.000000 0.000000\n0.000000 8.454052 0.000000\n0.000000 0.000000 8.466747\nNa Sr Pr W O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.024581 0.202339 0.279209 O\n0.975419 0.797661 0.279209 O\n0.975419 0.202339 0.720791 O\n0.024581 0.797661 0.720791 O\n0.293499 0.025569 0.213346 O\n0.293499 0.974431 0.786654 O\n0.706501 0.974431 0.213346 O\n0.706501 0.025569 0.786654 O\n0.215044 0.291398 0.023359 O\n0.784956 0.291398 0.976641 O\n0.215044 0.708602 0.976641 O\n0.784956 0.708602 0.023359 O\n0.475419 0.297661 0.220791 O\n0.524581 0.702339 0.220791 O\n0.524581 0.297661 0.779209 O\n0.475419 0.702339 0.779209 O\n0.206501 0.474431 0.286654 O\n0.206501 0.525569 0.713346 O\n0.793499 0.525569 0.286654 O\n0.793499 0.474431 0.713346 O\n0.284956 0.208602 0.476641 O\n0.715044 0.208602 0.523359 O\n0.284956 0.791398 0.523359 O\n0.715044 0.791398 0.476641 O\n","nsites":40,"nelements":5,"elements":["Na","Sr","Pr","W","O"],"chemical_system":"Na-O-Pr-Sr-W","density":5.838697309260152,"density_atomic":0.06617334022590396,"volume":604.473037985496,"volume_molar":9.10055430093371,"formula_full":"Na4 Sr4 Pr4 W4 O24","formula_reduced":"NaSrPrWO6","formula_anonymous":"ABCDE6","energy":-315.33669973,"energy_per_atom":-7.8834174932500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-281.09669973,"band_gap":3.0064,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.598000Z","spacegroup":48},{"id":"mp-1520975","created_at":"2022-09-04T14:47:59.501612Z","structure_string":"K1 La1 Tb1 Bi1 O6\n1.0\n0.000000 -4.301907 -4.301907\n4.301907 0.000000 -4.301907\n4.301907 -4.301907 0.000000\nK La Tb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.000000 0.000000 Bi\n0.756116 0.243884 0.243884 O\n0.243884 0.756116 0.756116 O\n0.756116 0.243884 0.756116 O\n0.243884 0.756116 0.243884 O\n0.756116 0.756116 0.243884 O\n0.243884 0.243884 0.756116 O\n","nsites":10,"nelements":5,"elements":["K","La","Tb","Bi","O"],"chemical_system":"Bi-K-La-O-Tb","density":6.694334827762393,"density_atomic":0.06280394896698759,"volume":159.22565641941438,"volume_molar":9.588793155611109,"formula_full":"K1 La1 Tb1 Bi1 O6","formula_reduced":"KLaTbBiO6","formula_anonymous":"ABCDE6","energy":-69.96920136,"energy_per_atom":-6.996920136,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.84720136,"band_gap":1.9221,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:27.630000Z","spacegroup":216},{"id":"mp-1517289","created_at":"2022-09-04T14:39:39.918769Z","structure_string":"Sr1 Ca1 Nd1 Fe1 O6\n1.0\n0.000000 -4.023372 -4.023372\n4.023372 0.000000 -4.023372\n4.023372 -4.023372 0.000000\nSr Ca Nd Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Fe\n0.730346 0.269654 0.269654 O\n0.269654 0.730346 0.730346 O\n0.730346 0.269654 0.730346 O\n0.269654 0.730346 0.269654 O\n0.730346 0.730346 0.269654 O\n0.269654 0.269654 0.730346 O\n","nsites":10,"nelements":5,"elements":["Sr","Ca","Nd","Fe","O"],"chemical_system":"Ca-Fe-Nd-O-Sr","density":5.402445888039461,"density_atomic":0.07677139581232209,"volume":130.25684754314398,"volume_molar":7.844250708586733,"formula_full":"Sr1 Ca1 Nd1 Fe1 O6","formula_reduced":"SrCaNdFeO6","formula_anonymous":"ABCDE6","energy":-72.21255488,"energy_per_atom":-7.221255488,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.83455488,"band_gap":0.7082000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0000008,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.848000Z","spacegroup":216},{"id":"mp-1521059","created_at":"2022-09-04T14:42:25.354961Z","structure_string":"Sr1 Ca1 Al1 Bi1 O6\n1.0\n-0.000000 -4.000713 -4.000713\n4.000713 0.000000 -4.000713\n4.000713 -4.000713 0.000000\nSr Ca Al Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 -0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Bi\n0.761323 0.238677 0.238677 O\n0.238677 0.761323 0.761323 O\n0.761323 0.238677 0.761323 O\n0.238677 0.761323 0.238677 O\n0.761323 0.761323 0.238677 O\n0.238677 0.238677 0.761323 O\n","nsites":10,"nelements":5,"elements":["Sr","Ca","Al","Bi","O"],"chemical_system":"Al-Bi-Ca-O-Sr","density":5.959916331110813,"density_atomic":0.07808323754544959,"volume":128.06846020158093,"volume_molar":7.712462942503784,"formula_full":"Sr1 Ca1 Al1 Bi1 O6","formula_reduced":"SrCaAlBiO6","formula_anonymous":"ABCDE6","energy":-66.867662,"energy_per_atom":-6.686766199999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.74566200000001,"band_gap":0.0110000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.271000Z","spacegroup":216},{"id":"mp-1521200","created_at":"2022-09-04T14:47:46.357525Z","structure_string":"K1 Ca1 Sm1 W1 O6\n1.0\n-0.000000 -4.230514 -4.230514\n4.230514 -0.000000 -4.230514\n4.230514 -4.230514 0.000000\nK Ca Sm W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Sm\n0.500000 0.500000 0.500000 W\n0.730338 0.269662 0.269662 O\n0.269662 0.730338 0.730338 O\n0.730338 0.269662 0.730338 O\n0.269662 0.730338 0.269662 O\n0.730338 0.730338 0.269662 O\n0.269662 0.269662 0.730338 O\n","nsites":10,"nelements":5,"elements":["K","Ca","Sm","W","O"],"chemical_system":"Ca-K-O-Sm-W","density":5.585671067445366,"density_atomic":0.06603749556825467,"volume":151.4291224091661,"volume_molar":9.119274903112686,"formula_full":"K1 Ca1 Sm1 W1 O6","formula_reduced":"KCaSmWO6","formula_anonymous":"ABCDE6","energy":-78.62951833,"energy_per_atom":-7.8629518329999994,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.06951833,"band_gap":2.8322000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.339000Z","spacegroup":216},{"id":"mp-1522613","created_at":"2022-09-04T14:47:56.874630Z","structure_string":"Ba1 Eu1 Cr1 Sn1 O6\n1.0\n0.000000 -4.067694 -4.067694\n4.067694 -0.000000 -4.067694\n4.067694 -4.067694 0.000000\nBa Eu Cr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.754480 0.245520 0.245520 O\n0.245520 0.754480 0.754480 O\n0.754480 0.245520 0.754480 O\n0.245520 0.754480 0.245520 O\n0.754480 0.754480 0.245520 O\n0.245520 0.245520 0.754480 O\n","nsites":10,"nelements":5,"elements":["Ba","Eu","Cr","Sn","O"],"chemical_system":"Ba-Cr-Eu-O-Sn","density":6.8587344978520255,"density_atomic":0.07428911416375675,"volume":134.6092238757462,"volume_molar":8.106356937740966,"formula_full":"Ba1 Eu1 Cr1 Sn1 O6","formula_reduced":"BaEuCrSnO6","formula_anonymous":"ABCDE6","energy":-81.23835514,"energy_per_atom":-8.123835514,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.11735514,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7363951,"is_theoretical":true,"updated_at":"2021-11-28T01:38:17.418000Z","spacegroup":216},{"id":"mp-1516590","created_at":"2022-09-04T14:47:19.103684Z","structure_string":"Ba1 Sr1 Nb1 In1 O6\n1.0\n-0.000000 -4.177049 -4.177049\n4.177049 0.000000 -4.177049\n4.177049 -4.177049 0.000000\nBa Sr Nb In 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 Nb\n0.000000 0.000000 0.000000 In\n0.740810 0.259190 0.259190 O\n0.259190 0.740810 0.740810 O\n0.740810 0.259190 0.740810 O\n0.259190 0.740810 0.259190 O\n0.740810 0.740810 0.259190 O\n0.259190 0.259190 0.740810 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Nb","In","O"],"chemical_system":"Ba-In-Nb-O-Sr","density":6.022727792672473,"density_atomic":0.068605872934363,"volume":145.76011604090013,"volume_molar":8.777879359922347,"formula_full":"Ba1 Sr1 Nb1 In1 O6","formula_reduced":"BaSrNbInO6","formula_anonymous":"ABCDE6","energy":-75.59360894,"energy_per_atom":-7.559360893999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.47160894,"band_gap":3.3943,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:03.429000Z","spacegroup":216},{"id":"mp-1522247","created_at":"2022-09-04T14:48:13.787545Z","structure_string":"K2 Gd2 Sn2 W2 O12\n1.0\n5.981031 0.000000 0.000000\n0.000000 5.981031 0.000000\n0.000000 0.000000 8.426343\nK Gd Sn W O\n2 2 2 2 12\ndirect\n-0.000000 -0.000000 0.250000 K\n-0.000000 0.000000 0.750000 K\n0.500000 0.000000 0.500000 Gd\n0.000000 0.500000 0.000000 Gd\n0.500000 0.500000 0.750000 Sn\n0.500000 0.500000 0.250000 Sn\n0.500000 0.000000 0.000000 W\n-0.000000 0.500000 0.500000 W\n0.275763 0.761717 0.000000 O\n0.724237 0.238283 0.000000 O\n0.238283 0.724237 0.500000 O\n0.761717 0.275763 0.500000 O\n0.724237 0.761717 0.000000 O\n0.761717 0.724237 0.500000 O\n0.275763 0.238283 0.000000 O\n0.238283 0.275763 0.500000 O\n0.500000 0.000000 0.769097 O\n-0.000000 0.500000 0.730903 O\n0.500000 0.000000 0.230903 O\n-0.000000 0.500000 0.269097 O\n","nsites":20,"nelements":5,"elements":["K","Gd","Sn","W","O"],"chemical_system":"Gd-K-O-Sn-W","density":6.5543247038518535,"density_atomic":0.06634966821352004,"volume":301.4333083872846,"volume_molar":9.076369064303584,"formula_full":"K2 Gd2 Sn2 W2 O12","formula_reduced":"KGdSnWO6","formula_anonymous":"ABCDE6","energy":-172.74776080000004,"energy_per_atom":-8.637388040000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.6277608,"band_gap":2.0455000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0000015,"is_theoretical":true,"updated_at":"2021-11-28T01:38:31.990000Z","spacegroup":131},{"id":"mp-1517846","created_at":"2022-09-04T14:48:27.545197Z","structure_string":"Ba1 Eu1 Fe1 Bi1 O6\n1.0\n-0.000000 -4.161732 -4.161732\n4.161732 0.000000 -4.161732\n4.161732 -4.161732 0.000000\nBa Eu Fe Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Bi\n0.742703 0.257297 0.257297 O\n0.257297 0.742703 0.742703 O\n0.742703 0.257297 0.742703 O\n0.257297 0.742703 0.257297 O\n0.742703 0.742703 0.257297 O\n0.257297 0.257297 0.742703 O\n","nsites":10,"nelements":5,"elements":["Ba","Eu","Fe","Bi","O"],"chemical_system":"Ba-Bi-Eu-Fe-O","density":7.4883388680526135,"density_atomic":0.06936616343744664,"volume":144.16250668119838,"volume_molar":8.681669075486171,"formula_full":"Ba1 Eu1 Fe1 Bi1 O6","formula_reduced":"BaEuFeBiO6","formula_anonymous":"ABCDE6","energy":-76.40186107,"energy_per_atom":-7.640186107,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.02386107,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.496092,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.598000Z","spacegroup":216},{"id":"mp-1517038","created_at":"2022-09-04T14:47:21.003361Z","structure_string":"Na4 Pr4 Eu4 W4 O24\n1.0\n8.077449 0.000000 0.000000\n0.000000 8.031925 0.000000\n0.000000 0.000000 8.072842\nNa Pr Eu W O\n4 4 4 4 24\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.750000 Na\n0.250000 0.750000 0.250000 Na\n0.750000 0.250000 0.250000 Na\n0.500000 -0.000000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n-0.000000 0.500000 -0.000000 Pr\n-0.000000 -0.000000 0.500000 Pr\n-0.000000 0.500000 0.500000 Eu\n0.500000 -0.000000 -0.000000 Eu\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.018008 0.189525 0.296445 O\n0.981992 0.810475 0.296445 O\n0.981992 0.189525 0.703555 O\n0.018008 0.810475 0.703555 O\n0.296069 0.019316 0.192952 O\n0.296069 0.980684 0.807048 O\n0.703931 0.980684 0.192952 O\n0.703931 0.019316 0.807048 O\n0.190326 0.298064 0.017166 O\n0.809674 0.298064 0.982834 O\n0.190326 0.701936 0.982834 O\n0.809674 0.701936 0.017166 O\n0.481992 0.310475 0.203555 O\n0.518008 0.689525 0.203555 O\n0.518008 0.310475 0.796445 O\n0.481992 0.689525 0.796445 O\n0.203931 0.480684 0.307048 O\n0.203931 0.519316 0.692952 O\n0.796069 0.519316 0.307048 O\n0.796069 0.480684 0.692952 O\n0.309674 0.201936 0.482834 O\n0.690326 0.201936 0.517166 O\n0.309674 0.798064 0.517166 O\n0.690326 0.798064 0.482834 O\n","nsites":40,"nelements":5,"elements":["Na","Pr","Eu","W","O"],"chemical_system":"Eu-Na-O-Pr-W","density":7.5546574557055,"density_atomic":0.07637296819812552,"volume":523.7455207480302,"volume_molar":7.885173120910347,"formula_full":"Na4 Pr4 Eu4 W4 O24","formula_reduced":"NaPrEuWO6","formula_anonymous":"ABCDE6","energy":-346.42907778999995,"energy_per_atom":-8.66072694475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-312.18907779,"band_gap":0.1032999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":27.9773272,"is_theoretical":true,"updated_at":"2021-11-28T01:38:01.790000Z","spacegroup":48},{"id":"mp-1521024","created_at":"2022-09-04T14:40:04.884662Z","structure_string":"Ba1 Ca1 Eu1 W1 O6\n1.0\n-0.000000 -4.221198 -4.221198\n4.221198 0.000000 -4.221198\n4.221198 -4.221198 -0.000000\nBa Ca Eu W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 -0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.731369 0.268631 0.268631 O\n0.268631 0.731369 0.731369 O\n0.731369 0.268631 0.731369 O\n0.268631 0.731369 0.268631 O\n0.731369 0.731369 0.268631 O\n0.268631 0.268631 0.731369 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Eu","W","O"],"chemical_system":"Ba-Ca-Eu-O-W","density":6.7247427436668055,"density_atomic":0.06647568683919268,"volume":150.43093912200405,"volume_molar":9.059162900516991,"formula_full":"Ba1 Ca1 Eu1 W1 O6","formula_reduced":"BaCaEuWO6","formula_anonymous":"ABCDE6","energy":-86.52273082,"energy_per_atom":-8.652273082,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.96273082,"band_gap":0.5857999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.697000Z","spacegroup":216}]}