{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=12152","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=12150","results":[{"id":"mp-1519998","created_at":"2022-09-04T14:48:16.915782Z","structure_string":"K1 Pr1 Mn1 Nb1 O6\n1.0\n-0.000000 -4.006490 -4.006490\n4.006490 -0.000000 -4.006490\n4.006490 -4.006490 0.000000\nK Pr Mn Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Pr\n0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.749059 0.250941 0.250941 O\n0.250941 0.749059 0.749059 O\n0.749059 0.250941 0.749059 O\n0.250941 0.749059 0.250941 O\n0.749059 0.749059 0.250941 O\n0.250941 0.250941 0.749059 O\n","nsites":10,"nelements":5,"elements":["K","Pr","Mn","Nb","O"],"chemical_system":"K-Mn-Nb-O-Pr","density":5.471870309790173,"density_atomic":0.07774595722100013,"volume":128.62405142911894,"volume_molar":7.745921428276333,"formula_full":"K1 Pr1 Mn1 Nb1 O6","formula_reduced":"KPrMnNbO6","formula_anonymous":"ABCDE6","energy":-82.33827328000001,"energy_per_atom":-8.233827328,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.54827328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000006,"is_theoretical":true,"updated_at":"2021-11-28T01:38:58.759000Z","spacegroup":216},{"id":"mp-1218203","created_at":"2022-09-04T14:48:16.182905Z","structure_string":"Sr2 La2 Mg2 Ta2 O12\n1.0\n5.713747 0.000000 0.000000\n0.000000 5.680749 0.000000\n0.000000 5.685418 8.032956\nSr La Mg Ta O\n2 2 2 2 12\ndirect\n0.272723 0.256207 0.749357 Sr\n0.727277 0.256207 0.249357 Sr\n0.215627 0.740309 0.247006 La\n0.784373 0.740309 0.747006 La\n0.252539 0.999286 0.499769 Mg\n0.747461 0.999286 0.999769 Mg\n0.747915 0.500651 0.498981 Ta\n0.252085 0.500651 0.998981 Ta\n0.735568 0.165486 0.742409 O\n0.264432 0.165486 0.242409 O\n0.771247 0.812248 0.257500 O\n0.228753 0.812248 0.757500 O\n0.973409 0.274937 0.461464 O\n0.026591 0.274937 0.961464 O\n0.539916 0.732326 0.545118 O\n0.460084 0.732326 0.045118 O\n0.470234 0.339256 0.454446 O\n0.529766 0.339256 0.954446 O\n0.014024 0.679294 0.543950 O\n0.985976 0.679294 0.043950 O\n","nsites":20,"nelements":5,"elements":["Sr","La","Mg","Ta","O"],"chemical_system":"La-Mg-O-Sr-Ta","density":6.722420992123264,"density_atomic":0.07670576410966104,"volume":260.7365982484361,"volume_molar":7.850962479678259,"formula_full":"Sr2 La2 Mg2 Ta2 O12","formula_reduced":"SrLaMgTaO6","formula_anonymous":"ABCDE6","energy":-170.23035274,"energy_per_atom":-8.511517637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-161.98635274,"band_gap":4.0756000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001298,"is_theoretical":true,"updated_at":"2021-11-28T01:38:44.384000Z","spacegroup":7},{"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-1521516","created_at":"2022-09-04T14:48:14.467846Z","structure_string":"Ba4 Sr4 Eu4 Se4 O24\n1.0\n8.413014 0.000000 0.000000\n0.000000 8.428796 0.000000\n0.000000 0.000000 8.455418\nBa Sr Eu Se O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n0.250892 0.251146 0.250305 Sr\n0.749108 0.748854 0.250305 Sr\n0.749108 0.251146 0.749695 Sr\n0.250892 0.748854 0.749695 Sr\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n-0.000000 0.500000 0.000000 Eu\n0.751581 0.745539 0.748995 Se\n0.248419 0.254461 0.748995 Se\n0.248419 0.745539 0.251005 Se\n0.751581 0.254461 0.251005 Se\n0.967839 0.225710 0.278443 O\n0.032161 0.774290 0.278443 O\n0.032161 0.225710 0.721557 O\n0.967839 0.774290 0.721557 O\n0.274564 0.963893 0.221186 O\n0.274564 0.036107 0.778814 O\n0.725436 0.036107 0.221186 O\n0.725436 0.963893 0.778814 O\n0.213543 0.288468 0.966057 O\n0.786457 0.288468 0.033943 O\n0.213543 0.711532 0.033943 O\n0.786457 0.711532 0.966057 O\n0.535281 0.292310 0.213301 O\n0.464719 0.707690 0.213301 O\n0.464719 0.292310 0.786699 O\n0.535281 0.707690 0.786699 O\n0.214678 0.531339 0.291905 O\n0.214678 0.468661 0.708095 O\n0.785322 0.468661 0.291905 O\n0.785322 0.531339 0.708095 O\n0.291415 0.218461 0.534727 O\n0.708585 0.218461 0.465273 O\n0.291415 0.781539 0.465273 O\n0.708585 0.781539 0.534727 O\n","nsites":40,"nelements":5,"elements":["Ba","Sr","Eu","Se","O"],"chemical_system":"Ba-Eu-O-Se-Sr","density":6.113523589364307,"density_atomic":0.06671258278248597,"volume":599.5870393808406,"volume_molar":9.026993872557714,"formula_full":"Ba4 Sr4 Eu4 Se4 O24","formula_reduced":"BaSrEuSeO6","formula_anonymous":"ABCDE6","energy":-286.72674623,"energy_per_atom":-7.16816865575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.23874623,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9143194,"is_theoretical":true,"updated_at":"2021-11-28T01:38:39.105000Z","spacegroup":16},{"id":"mp-1516906","created_at":"2022-09-04T14:48:24.682203Z","structure_string":"Na2 Pr2 Eu2 W2 O12\n1.0\n5.652381 0.006188 0.018530\n-0.008862 5.989941 0.006846\n0.005862 -0.011809 8.192987\nNa Pr Eu W O\n2 2 2 2 12\ndirect\n0.001036 0.497010 0.999682 Na\n0.501032 0.003032 0.499723 Na\n0.524355 0.576624 0.248408 Pr\n0.024180 0.923316 0.748526 Pr\n0.977142 0.075027 0.254054 Eu\n0.477047 0.425075 0.754067 Eu\n0.500130 0.003903 -0.000290 W\n0.000138 0.496056 0.499693 W\n0.214351 0.167401 0.935286 O\n0.279900 0.674435 0.561401 O\n0.780126 0.825510 0.061468 O\n0.714565 0.332615 0.435361 O\n0.335267 0.723733 0.936016 O\n0.155797 0.214706 0.565115 O\n0.656056 0.285567 0.065128 O\n0.835561 0.776006 0.436085 O\n0.382980 0.959679 0.224066 O\n0.128507 0.465914 0.276371 O\n0.628721 0.034182 0.776026 O\n0.883109 0.540209 0.723815 O\n","nsites":20,"nelements":5,"elements":["Na","Pr","Eu","W","O"],"chemical_system":"Eu-Na-O-Pr-W","density":7.131952818827264,"density_atomic":0.07209968274755615,"volume":277.3937309825113,"volume_molar":8.352520469591282,"formula_full":"Na2 Pr2 Eu2 W2 O12","formula_reduced":"NaPrEuWO6","formula_anonymous":"ABCDE6","energy":-176.18422493,"energy_per_atom":-8.8092112465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.06422493,"band_gap":0.3240999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.06e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:04.648000Z","spacegroup":7},{"id":"mp-1210016","created_at":"2022-09-04T14:48:27.424206Z","structure_string":"Na2 Nd2 Mg2 W2 O12\n1.0\n5.589479 0.000000 0.000000\n0.000000 5.541722 0.000000\n0.000000 0.009430 7.949038\nNa Nd Mg W O\n2 2 2 2 12\ndirect\n0.499392 0.747083 0.500834 Na\n0.999392 0.252917 0.499166 Na\n0.443328 0.757946 0.000913 Nd\n0.943328 0.242054 0.999087 Nd\n0.981203 0.749482 0.742877 Mg\n0.481203 0.250518 0.257123 Mg\n0.985007 0.746207 0.262557 W\n0.485007 0.253793 0.737443 W\n0.272974 0.559251 0.279560 O\n0.772974 0.440749 0.720440 O\n0.004953 0.666081 0.006056 O\n0.504953 0.333919 0.993944 O\n0.964472 0.828693 0.488711 O\n0.464472 0.171307 0.511289 O\n0.697579 0.976986 0.806088 O\n0.197579 0.023014 0.193912 O\n0.717982 0.963884 0.193813 O\n0.217982 0.036116 0.806187 O\n0.784711 0.470676 0.276275 O\n0.284711 0.529324 0.723725 O\n","nsites":20,"nelements":5,"elements":["Na","Nd","Mg","W","O"],"chemical_system":"Mg-Na-Nd-O-W","density":6.357894457473221,"density_atomic":0.08122680260279226,"volume":246.22414472969146,"volume_molar":7.413982290364071,"formula_full":"Na2 Nd2 Mg2 W2 O12","formula_reduced":"NaNdMgWO6","formula_anonymous":"ABCDE6","energy":-158.16503619,"energy_per_atom":-7.908251809499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.04503619,"band_gap":3.7945,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.155000Z","spacegroup":4},{"id":"mp-1518616","created_at":"2022-09-04T14:48:29.544389Z","structure_string":"Na1 Sr1 Hf1 Sb1 O6\n1.0\n0.000000 -4.050926 -4.050926\n4.050926 -0.000000 -4.050926\n4.050926 -4.050926 0.000000\nNa Sr Hf Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sb\n0.745860 0.254140 0.254140 O\n0.254140 0.745860 0.745860 O\n0.745860 0.254140 0.745860 O\n0.254140 0.745860 0.254140 O\n0.745860 0.745860 0.254140 O\n0.254140 0.254140 0.745860 O\n","nsites":10,"nelements":5,"elements":["Na","Sr","Hf","Sb","O"],"chemical_system":"Hf-Na-O-Sb-Sr","density":6.3305422164273075,"density_atomic":0.07521545290013416,"volume":132.9514031282548,"volume_molar":8.006520638778548,"formula_full":"Na1 Sr1 Hf1 Sb1 O6","formula_reduced":"NaSrHfSbO6","formula_anonymous":"ABCDE6","energy":-75.87660414,"energy_per_atom":-7.587660414,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.75460414,"band_gap":3.2996000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.978000Z","spacegroup":216},{"id":"mp-1044923","created_at":"2022-09-04T14:48:27.166986Z","structure_string":"La2 Mg2 Mn2 Cr2 O12\n1.0\n5.466013 0.000000 0.000000\n0.000000 5.331636 0.000000\n0.000000 5.298391 7.635781\nLa Mg Mn Cr O\n2 2 2 2 12\ndirect\n0.216115 0.741998 0.250357 La\n0.783885 0.741998 0.750357 La\n0.691873 0.273303 0.251539 Mg\n0.308127 0.273303 0.751539 Mg\n0.251689 0.501102 0.999043 Mn\n0.748311 0.501102 0.499043 Mn\n0.248177 0.999281 0.502103 Cr\n0.751823 0.999281 0.002103 Cr\n0.702436 0.177709 0.745091 O\n0.473696 0.718524 0.051833 O\n0.481067 0.333983 0.444425 O\n0.951165 0.628986 0.057353 O\n0.942567 0.254804 0.443023 O\n0.230691 0.870312 0.755233 O\n0.297564 0.177709 0.245091 O\n0.526304 0.718524 0.551833 O\n0.518933 0.333983 0.944425 O\n0.048835 0.628986 0.557353 O\n0.057433 0.254804 0.943023 O\n0.769309 0.870312 0.255233 O\n","nsites":20,"nelements":5,"elements":["La","Mg","Mn","Cr","O"],"chemical_system":"Cr-La-Mg-Mn-O","density":5.4644047261776025,"density_atomic":0.08987634024563698,"volume":222.52797505259892,"volume_molar":6.700473944022596,"formula_full":"La2 Mg2 Mn2 Cr2 O12","formula_reduced":"LaMgMnCrO6","formula_anonymous":"ABCDE6","energy":-163.99734988,"energy_per_atom":-8.199867494,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.41934988,"band_gap":0.9613000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.0005429,"is_theoretical":true,"updated_at":"2021-11-28T01:39:22.287000Z","spacegroup":7},{"id":"mp-1522211","created_at":"2022-09-04T14:48:29.645891Z","structure_string":"Na1 Pr1 Mn1 W1 O6\n1.0\n-0.000000 -4.032044 -4.032044\n4.032044 0.000000 -4.032044\n4.032044 -4.032044 0.000000\nNa Pr Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n-0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.739722 0.260278 0.260278 O\n0.260278 0.739722 0.739722 O\n0.739722 0.260278 0.739722 O\n0.260278 0.739722 0.260278 O\n0.739722 0.739722 0.260278 O\n0.260278 0.260278 0.739722 O\n","nsites":10,"nelements":5,"elements":["Na","Pr","Mn","W","O"],"chemical_system":"Mn-Na-O-Pr-W","density":6.316233533516602,"density_atomic":0.07627710755234514,"volume":131.10093343717188,"volume_molar":7.895082749260396,"formula_full":"Na1 Pr1 Mn1 W1 O6","formula_reduced":"NaPrMnWO6","formula_anonymous":"ABCDE6","energy":-82.84405059,"energy_per_atom":-8.284405059,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.61605059,"band_gap":1.1303,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9999996,"is_theoretical":true,"updated_at":"2021-11-28T01:39:52.585000Z","spacegroup":216},{"id":"mp-1227906","created_at":"2022-09-04T14:48:27.144698Z","structure_string":"Ba1 La1 Mn1 Sn1 O6\n1.0\n-5.698357 -0.000051 -0.000087\n-0.000086 0.073532 -5.713897\n-2.849259 -4.211697 -2.804075\nBa La Mn Sn O\n1 1 1 1 6\ndirect\n0.752314 0.255850 0.495383 Ba\n0.246817 0.727135 0.506385 La\n0.504204 0.509290 0.991594 Mn\n0.000189 0.999145 0.999629 Sn\n0.761200 0.806993 0.477594 O\n0.235712 0.136470 0.528578 O\n0.283204 0.317759 0.915864 O\n0.230117 0.714797 0.084549 O\n0.800919 0.317766 0.915868 O\n0.685324 0.714794 0.084556 O\n","nsites":10,"nelements":5,"elements":["Ba","La","Mn","Sn","O"],"chemical_system":"Ba-La-Mn-O-Sn","density":6.553935305663477,"density_atomic":0.07230333408819574,"volume":138.30620850488003,"volume_molar":8.328994555982968,"formula_full":"Ba1 La1 Mn1 Sn1 O6","formula_reduced":"BaLaMnSnO6","formula_anonymous":"ABCDE6","energy":-77.17231576,"energy_per_atom":-7.7172315760000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.38231576,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9993782,"is_theoretical":true,"updated_at":"2021-11-28T01:39:08.404000Z","spacegroup":8},{"id":"mp-1519441","created_at":"2022-09-04T14:48:24.891100Z","structure_string":"Ba1 Sr1 Mn1 W1 O6\n1.0\n0.000000 -4.129710 -4.129710\n4.129710 -0.000000 -4.129710\n4.129710 -4.129710 -0.000000\nBa Sr Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.736587 0.263413 0.263413 O\n0.263413 0.736587 0.736587 O\n0.736587 0.263413 0.736587 O\n0.263413 0.736587 0.263413 O\n0.736587 0.736587 0.263413 O\n0.263413 0.263413 0.736587 O\n","nsites":10,"nelements":5,"elements":["Ba","Sr","Mn","W","O"],"chemical_system":"Ba-Mn-O-Sr-W","density":6.598304938657566,"density_atomic":0.07099231499291743,"volume":140.86031707794925,"volume_molar":8.482806569416423,"formula_full":"Ba1 Sr1 Mn1 W1 O6","formula_reduced":"BaSrMnWO6","formula_anonymous":"ABCDE6","energy":-82.76430595,"energy_per_atom":-8.276430594999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.53630595,"band_gap":2.0186000000000006,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:39:27.636000Z","spacegroup":216},{"id":"mp-1520192","created_at":"2022-09-04T14:48:27.372009Z","structure_string":"Ba1 Y1 In1 W1 O6\n1.0\n0.000000 -4.242298 -4.242298\n4.242298 -0.000000 -4.242298\n4.242298 -4.242298 -0.000000\nBa Y In W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 In\n-0.000000 0.000000 -0.000000 W\n0.768345 0.231655 0.231655 O\n0.231655 0.768345 0.768345 O\n0.768345 0.231655 0.768345 O\n0.231655 0.768345 0.231655 O\n0.768345 0.768345 0.231655 O\n0.231655 0.231655 0.768345 O\n","nsites":10,"nelements":5,"elements":["Ba","Y","In","W","O"],"chemical_system":"Ba-In-O-W-Y","density":6.751936149979636,"density_atomic":0.0654887178175449,"volume":152.69805751672433,"volume_molar":9.1956919614429,"formula_full":"Ba1 Y1 In1 W1 O6","formula_reduced":"BaYInWO6","formula_anonymous":"ABCDE6","energy":-81.03890606,"energy_per_atom":-8.103890606,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.47890606,"band_gap":1.6116,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.002000Z","spacegroup":216}]}