{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=63","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formula_anonymous&page=61","results":[{"id":"mp-1227377","created_at":"2022-09-04T14:40:43.448669Z","structure_string":"Ba1 Sr1 Zn1 W1 O6\n1.0\n0.000000 4.082095 4.082095\n4.082095 0.000000 4.082095\n4.082095 4.082095 0.000000\nBa Sr Zn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 W\n0.760431 0.239569 0.239569 O\n0.760431 0.760431 0.239569 O\n0.239569 0.760431 0.239569 O\n0.239569 0.239569 0.760431 O\n0.760431 0.239569 0.760431 O\n0.239569 0.760431 0.760431 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Zn","W","O"],"chemical_system":"Ba-O-Sr-W-Zn","density":6.95971095948382,"density_atomic":0.07350564311521908,"volume":136.043976709722,"volume_molar":8.192759772961075,"formula_full":"Ba1 Sr1 Zn1 W1 O6","formula_reduced":"BaSrZnWO6","formula_anonymous":"ABCDE6","energy":-74.04675105,"energy_per_atom":-7.404675105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.48675105,"band_gap":3.3966000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001808,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.019000Z","spacegroup":216},{"id":"mp-1227087","created_at":"2022-09-04T14:39:06.765490Z","structure_string":"Ca1 La1 V1 Fe1 O6\n1.0\n0.000000 3.906912 3.906912\n3.906912 0.000000 3.906912\n3.906912 3.906912 0.000000\nCa La V Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.746927 0.746927 0.253073 O\n0.253073 0.746927 0.253073 O\n0.746927 0.253073 0.253073 O\n0.253073 0.253073 0.746927 O\n0.746927 0.253073 0.746927 O\n0.253073 0.746927 0.746927 O\n","nsites":10,"nelements":5,"elements":["Ca","La","V","Fe","O"],"chemical_system":"Ca-Fe-La-O-V","density":5.315154373381025,"density_atomic":0.08384344542629993,"volume":119.2699077328615,"volume_molar":7.182601727995044,"formula_full":"Ca1 La1 V1 Fe1 O6","formula_reduced":"CaLaVFeO6","formula_anonymous":"ABCDE6","energy":-81.83445217,"energy_per_atom":-8.183445217000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-73.75645217,"band_gap":1.0776000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000195,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.237000Z","spacegroup":216},{"id":"mp-1516970","created_at":"2022-09-04T14:47:04.654159Z","structure_string":"K1 Pr1 Zr1 Nb1 O6\n1.0\n-0.000000 -4.124378 -4.124378\n4.124378 -0.000000 -4.124378\n4.124378 -4.124378 -0.000000\nK Pr Zr Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Nb\n0.754535 0.245465 0.245465 O\n0.245465 0.754535 0.754535 O\n0.754535 0.245465 0.754535 O\n0.245465 0.754535 0.245465 O\n0.754535 0.754535 0.245465 O\n0.245465 0.245465 0.754535 O\n","nsites":10,"nelements":5,"elements":["K","Pr","Zr","Nb","O"],"chemical_system":"K-Nb-O-Pr-Zr","density":5.445363092051178,"density_atomic":0.0712680079093124,"volume":140.31541351239773,"volume_molar":8.449991709692652,"formula_full":"K1 Pr1 Zr1 Nb1 O6","formula_reduced":"KPrZrNbO6","formula_anonymous":"ABCDE6","energy":-85.92125992,"energy_per_atom":-8.592125992,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.79925992,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001966,"is_theoretical":true,"updated_at":"2021-11-28T01:37:55.346000Z","spacegroup":216},{"id":"mp-1522808","created_at":"2022-09-04T14:46:36.040091Z","structure_string":"Ca1 Eu1 Hf1 Nb1 O6\n1.0\n-0.000000 -4.091391 -4.091391\n4.091391 -0.000000 -4.091391\n4.091391 -4.091391 0.000000\nCa Eu Hf Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Nb\n0.748481 0.251519 0.251519 O\n0.251519 0.748481 0.748481 O\n0.748481 0.251519 0.748481 O\n0.251519 0.748481 0.251519 O\n0.748481 0.748481 0.251519 O\n0.251519 0.251519 0.748481 O\n","nsites":10,"nelements":5,"elements":["Ca","Eu","Hf","Nb","O"],"chemical_system":"Ca-Eu-Hf-Nb-O","density":6.781966000528776,"density_atomic":0.07300574679828206,"volume":136.97551820996256,"volume_molar":8.248858513343377,"formula_full":"Ca1 Eu1 Hf1 Nb1 O6","formula_reduced":"CaEuHfNbO6","formula_anonymous":"ABCDE6","energy":-95.63237337,"energy_per_atom":-9.563237337,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.51037337,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.481245,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.657000Z","spacegroup":216},{"id":"mp-1517573","created_at":"2022-09-04T14:42:09.389695Z","structure_string":"K1 La1 Fe1 Bi1 O6\n1.0\n0.000000 -4.096336 -4.096336\n4.096336 0.000000 -4.096336\n4.096336 -4.096336 0.000000\nK La Fe 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 Fe\n0.000000 0.000000 0.000000 Bi\n0.743888 0.256112 0.256112 O\n0.256112 0.743888 0.743888 O\n0.743888 0.256112 0.743888 O\n0.256112 0.743888 0.256112 O\n0.743888 0.743888 0.256112 O\n0.256112 0.256112 0.743888 O\n","nsites":10,"nelements":5,"elements":["K","La","Fe","Bi","O"],"chemical_system":"Bi-Fe-K-La-O","density":6.50849509869607,"density_atomic":0.07274167340214165,"volume":137.47277911406397,"volume_molar":8.278804264932813,"formula_full":"K1 La1 Fe1 Bi1 O6","formula_reduced":"KLaFeBiO6","formula_anonymous":"ABCDE6","energy":-68.58688672,"energy_per_atom":-6.8586886719999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.20888672,"band_gap":0.3613999999999997,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.397000Z","spacegroup":216},{"id":"mp-1519044","created_at":"2022-09-04T14:47:29.897114Z","structure_string":"Sr1 Eu1 Zr1 Sn1 O6\n1.0\n0.000000 -4.148976 -4.148976\n4.148976 0.000000 -4.148976\n4.148976 -4.148976 0.000000\nSr Eu Zr Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.751859 0.248141 0.248141 O\n0.248141 0.751859 0.751859 O\n0.751859 0.248141 0.751859 O\n0.248141 0.751859 0.248141 O\n0.751859 0.751859 0.248141 O\n0.248141 0.248141 0.751859 O\n","nsites":10,"nelements":5,"elements":["Sr","Eu","Zr","Sn","O"],"chemical_system":"Eu-O-Sn-Sr-Zr","density":6.341654143348026,"density_atomic":0.07000792997522483,"volume":142.84096106739491,"volume_molar":8.60208373841532,"formula_full":"Sr1 Eu1 Zr1 Sn1 O6","formula_reduced":"SrEuZrSnO6","formula_anonymous":"ABCDE6","energy":-85.14351583999999,"energy_per_atom":-8.514351584,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.02151584,"band_gap":0.6193,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":6.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.186000Z","spacegroup":216},{"id":"mp-1523099","created_at":"2022-09-04T14:39:44.074120Z","structure_string":"K4 Ba4 Pr4 W4 O24\n1.0\n8.629935 0.000000 0.000000\n0.000000 8.614556 0.000000\n0.000000 0.000000 8.621084\nK Ba Pr W O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\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\n0.024544 0.229650 0.269126 O\n0.975456 0.770350 0.269126 O\n0.975456 0.229650 0.730874 O\n0.024544 0.770350 0.730874 O\n0.267932 0.023599 0.222791 O\n0.267932 0.976401 0.777209 O\n0.732068 0.976401 0.222791 O\n0.732068 0.023599 0.777209 O\n0.228023 0.262807 0.024530 O\n0.771977 0.262807 0.975470 O\n0.228023 0.737193 0.975470 O\n0.771977 0.737193 0.024530 O\n0.475456 0.270350 0.230874 O\n0.524544 0.729650 0.230874 O\n0.524544 0.270350 0.769126 O\n0.475456 0.729650 0.769126 O\n0.232068 0.476401 0.277209 O\n0.232068 0.523599 0.722791 O\n0.767932 0.523599 0.277209 O\n0.767932 0.476401 0.722791 O\n0.271977 0.237193 0.475470 O\n0.728023 0.237193 0.524530 O\n0.271977 0.762807 0.524530 O\n0.728023 0.762807 0.475470 O\n","nsites":40,"nelements":5,"elements":["K","Ba","Pr","W","O"],"chemical_system":"Ba-K-O-Pr-W","density":6.188769363605953,"density_atomic":0.062410504242540674,"volume":640.9177507131071,"volume_molar":9.649242275942303,"formula_full":"K4 Ba4 Pr4 W4 O24","formula_reduced":"KBaPrWO6","formula_anonymous":"ABCDE6","energy":-316.91459585,"energy_per_atom":-7.92286489625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.67459585,"band_gap":2.8049,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:42.931000Z","spacegroup":48},{"id":"mp-1523292","created_at":"2022-09-04T14:46:21.333950Z","structure_string":"K1 Sr1 Eu1 Fe1 O6\n1.0\n0.000000 -4.157565 -4.157565\n4.157565 -0.000000 -4.157565\n4.157565 -4.157565 -0.000000\nK Sr Eu Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Fe\n0.731106 0.268894 0.268894 O\n0.268894 0.731106 0.731106 O\n0.731106 0.268894 0.731106 O\n0.268894 0.731106 0.268894 O\n0.731106 0.731106 0.268894 O\n0.268894 0.268894 0.731106 O\n","nsites":10,"nelements":5,"elements":["K","Sr","Eu","Fe","O"],"chemical_system":"Eu-Fe-K-O-Sr","density":4.973922596053685,"density_atomic":0.06957494329146399,"volume":143.72990514858068,"volume_molar":8.655617202262016,"formula_full":"K1 Sr1 Eu1 Fe1 O6","formula_reduced":"KSrEuFeO6","formula_anonymous":"ABCDE6","energy":-72.02831349,"energy_per_atom":-7.202831349,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.65031349,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:37:34.752000Z","spacegroup":216},{"id":"mp-1521693","created_at":"2022-09-04T14:40:13.832945Z","structure_string":"Sr1 Nd1 Zr1 Ni1 O6\n1.0\n0.000000 -4.001519 -4.001519\n4.001519 0.000000 -4.001519\n4.001519 -4.001519 0.000000\nSr Nd Zr Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ni\n0.757152 0.242848 0.242848 O\n0.242848 0.757152 0.757152 O\n0.757152 0.242848 0.757152 O\n0.242848 0.757152 0.242848 O\n0.757152 0.757152 0.242848 O\n0.242848 0.242848 0.757152 O\n","nsites":10,"nelements":5,"elements":["Sr","Nd","Zr","Ni","O"],"chemical_system":"Nd-Ni-O-Sr-Zr","density":6.191111136712412,"density_atomic":0.07803606364945695,"volume":128.1458793836738,"volume_molar":7.717125234624656,"formula_full":"Sr1 Nd1 Zr1 Ni1 O6","formula_reduced":"SrNdZrNiO6","formula_anonymous":"ABCDE6","energy":-78.96337657,"energy_per_atom":-7.896337656999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.30037657,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.869000Z","spacegroup":216},{"id":"mp-1227411","created_at":"2022-09-04T14:42:10.566837Z","structure_string":"Ba2 Sr2 Ni2 W2 O12\n1.0\n-4.054829 -0.000001 -4.054836\n-0.000038 -4.054801 -4.054799\n-4.054745 -8.109591 4.054751\nBa Sr Ni W O\n2 2 2 2 12\ndirect\n0.125000 0.750000 0.375001 Ba\n0.625000 0.750002 0.874999 Ba\n0.374999 0.250001 0.125000 Sr\n0.875001 0.250000 0.625001 Sr\n0.250003 0.500004 0.749999 Ni\n0.749998 0.499996 0.250003 Ni\n0.500001 0.999998 0.500003 W\n0.999999 0.000003 0.999996 W\n0.138494 0.241005 0.379496 O\n0.638493 0.241004 0.879498 O\n0.620501 0.241004 0.379497 O\n0.120502 0.241006 0.879497 O\n0.620501 0.758999 0.379500 O\n0.120501 0.758997 0.879499 O\n0.879499 0.758994 0.120500 O\n0.379499 0.758995 0.620503 O\n0.879500 0.241002 0.120500 O\n0.379498 0.241003 0.620503 O\n0.361506 0.758995 0.120500 O\n0.861508 0.758993 0.620504 O\n","nsites":20,"nelements":5,"elements":["Ba","Sr","Ni","W","O"],"chemical_system":"Ba-Ni-O-Sr-W","density":7.017600193528353,"density_atomic":0.07500038364922117,"volume":266.66530258752465,"volume_molar":8.029479939950328,"formula_full":"Ba2 Sr2 Ni2 W2 O12","formula_reduced":"BaSrNiWO6","formula_anonymous":"ABCDE6","energy":-155.44524103999998,"energy_per_atom":-7.772262051999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.24324104,"band_gap":3.3716000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:34.325000Z","spacegroup":216},{"id":"mp-1519159","created_at":"2022-09-04T14:46:42.570185Z","structure_string":"Ba1 Ca1 Ga1 Bi1 O6\n1.0\n-0.000000 -4.113935 -4.113935\n4.113935 -0.000000 -4.113935\n4.113935 -4.113935 0.000000\nBa Ca Ga Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Bi\n0.742598 0.257402 0.257402 O\n0.257402 0.742598 0.742598 O\n0.742598 0.257402 0.742598 O\n0.257402 0.742598 0.257402 O\n0.742598 0.742598 0.257402 O\n0.257402 0.257402 0.742598 O\n","nsites":10,"nelements":5,"elements":["Ba","Ca","Ga","Bi","O"],"chemical_system":"Ba-Bi-Ca-Ga-O","density":6.583674454067556,"density_atomic":0.07181211663820422,"volume":139.25226644384932,"volume_molar":8.385967496738852,"formula_full":"Ba1 Ca1 Ga1 Bi1 O6","formula_reduced":"BaCaGaBiO6","formula_anonymous":"ABCDE6","energy":-63.15262424,"energy_per_atom":-6.315262424,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.03062424,"band_gap":0.0373000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:50.552000Z","spacegroup":216},{"id":"mp-1522279","created_at":"2022-09-04T14:46:56.453883Z","structure_string":"Ba2 Ca2 La2 Bi2 O12\n1.0\n6.084874 0.004638 0.025000\n0.011336 6.221848 -0.030327\n0.046123 -0.032226 8.743857\nBa Ca La Bi O\n2 2 2 2 12\ndirect\n0.992515 0.042276 0.250605 Ba\n0.007485 0.957724 0.749395 Ba\n0.511015 0.547001 0.252767 Ca\n0.488985 0.452999 0.747233 Ca\n0.500000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 La\n-0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.190223 0.217880 0.950952 O\n0.322001 0.709600 0.561705 O\n0.809777 0.782120 0.049048 O\n0.677999 0.290400 0.438295 O\n0.285921 0.684045 0.930862 O\n0.216531 0.196395 0.541143 O\n0.714079 0.315955 0.069138 O\n0.783469 0.803605 0.458857 O\n0.421384 0.931779 0.263666 O\n0.126321 0.483709 0.233535 O\n0.578616 0.068221 0.736334 O\n0.873679 0.516291 0.766465 O\n","nsites":20,"nelements":5,"elements":["Ba","Ca","La","Bi","O"],"chemical_system":"Ba-Bi-Ca-La-O","density":6.233261587562817,"density_atomic":0.06041903721474373,"volume":331.0214945815043,"volume_molar":9.967290174776982,"formula_full":"Ba2 Ca2 La2 Bi2 O12","formula_reduced":"BaCaLaBiO6","formula_anonymous":"ABCDE6","energy":-140.17607251,"energy_per_atom":-7.008803625500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.93207251,"band_gap":1.6524,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:51.294000Z","spacegroup":2}]}