{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10183","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10181","results":[{"id":"mp-1215405","created_at":"2022-09-04T14:42:24.901753Z","structure_string":"Zr2 Al2 Cr6\n1.0\n-2.673384 -5.789713 0.000000\n-5.346767 0.000000 0.000000\n0.000000 0.000000 -4.917697\nZr Al Cr\n2 2 6\ndirect\n0.199491 0.400254 0.750000 Zr\n0.800509 0.599746 0.250000 Zr\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.651414 0.387799 0.750000 Cr\n0.392482 0.803759 0.750000 Cr\n0.651414 0.960786 0.750000 Cr\n0.348586 0.612201 0.250000 Cr\n0.607518 0.196241 0.250000 Cr\n0.348586 0.039214 0.250000 Cr\n","nsites":10,"nelements":3,"elements":["Zr","Al","Cr"],"chemical_system":"Al-Cr-Zr","density":5.981728857252448,"density_atomic":0.0656885898000206,"volume":152.233440091248,"volume_molar":9.16771204608523,"formula_full":"Zr2 Al2 Cr6","formula_reduced":"ZrAlCr3","formula_anonymous":"ABC3","energy":-81.12628862,"energy_per_atom":-8.112628862,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-81.12628862,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0543568,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.571000Z","spacegroup":63},{"id":"mp-1184447","created_at":"2022-09-04T14:42:24.438125Z","structure_string":"Eu1 Tc1 O3\n1.0\n3.967972 0.000000 0.000000\n0.000000 3.967972 0.000000\n0.000000 0.000000 3.967972\nEu Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Eu","Tc","O"],"chemical_system":"Eu-O-Tc","density":7.919622357468801,"density_atomic":0.08003209907028788,"volume":62.47493265931672,"volume_molar":7.524656768918528,"formula_full":"Eu1 Tc1 O3","formula_reduced":"EuTcO3","formula_anonymous":"ABC3","energy":-47.61089337999999,"energy_per_atom":-9.522178676,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.54989338,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7845308,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.847000Z","spacegroup":221},{"id":"mp-761288","created_at":"2022-09-04T14:42:24.418311Z","structure_string":"Mn2 B2 O6\n1.0\n2.348469 1.355890 4.974163\n-2.348475 1.355893 4.974165\n0.000000 -2.711779 4.974163\nMn B O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.249998 0.249998 0.249998 B\n0.750002 0.750002 0.750002 B\n0.250009 0.954722 0.545262 O\n0.045279 0.454739 0.749991 O\n0.454739 0.749991 0.045278 O\n0.545261 0.250009 0.954722 O\n0.954721 0.545261 0.250009 O\n0.749991 0.045278 0.454738 O\n","nsites":10,"nelements":3,"elements":["Mn","B","O"],"chemical_system":"B-Mn-O","density":3.975014898968058,"density_atomic":0.10522496282417794,"volume":95.0344835636498,"volume_molar":5.723110370742056,"formula_full":"Mn2 B2 O6","formula_reduced":"MnBO3","formula_anonymous":"ABC3","energy":-85.21729229,"energy_per_atom":-8.521729229,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-77.75929229,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000055,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.613000Z","spacegroup":167},{"id":"mp-755358","created_at":"2022-09-04T14:42:22.825871Z","structure_string":"Lu2 Al2 O6\n1.0\n1.694796 -2.935474 0.000000\n1.694796 2.935474 0.000000\n0.000000 0.000000 11.469327\nLu Al O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.089863 O\n0.333333 0.666667 0.410137 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.910137 O\n0.666667 0.333333 0.589863 O\n","nsites":10,"nelements":3,"elements":["Lu","Al","O"],"chemical_system":"Al-Lu-O","density":7.273827011470189,"density_atomic":0.08762668876468657,"volume":114.12048248056117,"volume_molar":6.872496090970533,"formula_full":"Lu2 Al2 O6","formula_reduced":"LuAlO3","formula_anonymous":"ABC3","energy":-83.65620775,"energy_per_atom":-8.365620775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-79.53420775,"band_gap":3.6479,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003929,"is_theoretical":true,"updated_at":"2021-11-28T01:35:49.516000Z","spacegroup":194},{"id":"mp-3547","created_at":"2022-09-04T14:42:24.321938Z","structure_string":"Mg4 Si4 O12\n1.0\n4.830907 0.000000 0.000000\n0.000000 4.981026 0.000000\n0.000000 0.000000 6.978868\nMg Si O\n4 4 12\ndirect\n0.514619 0.556068 0.250000 Mg\n0.014619 0.943932 0.750000 Mg\n0.985381 0.056068 0.250000 Mg\n0.485381 0.443932 0.750000 Mg\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.196586 0.201751 0.946622 O\n0.696586 0.298249 0.053378 O\n0.303414 0.701751 0.553378 O\n0.803414 0.798249 0.446622 O\n0.803414 0.798249 0.053378 O\n0.303414 0.701751 0.946622 O\n0.696586 0.298249 0.446622 O\n0.196586 0.201751 0.553378 O\n0.103242 0.465406 0.250000 O\n0.603242 0.034594 0.750000 O\n0.396758 0.965406 0.250000 O\n0.896758 0.534594 0.750000 O\n","nsites":20,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.970648558474681,"density_atomic":0.11909609615369572,"volume":167.93161695400687,"volume_molar":5.05653917675716,"formula_full":"Mg4 Si4 O12","formula_reduced":"MgSiO3","formula_anonymous":"ABC3","energy":-147.87862148,"energy_per_atom":-7.393931073999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-139.63462148,"band_gap":5.5464,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.778000Z","spacegroup":62},{"id":"mp-1114149","created_at":"2022-09-04T14:42:24.406406Z","structure_string":"Rb2 Tl2 I6\n1.0\n0.000000 6.290575 6.290575\n6.290575 0.000000 6.290575\n6.290575 6.290575 0.000000\nRb Tl I\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.757330 0.242670 0.242670 I\n0.242670 0.242670 0.757330 I\n0.242670 0.757330 0.757330 I\n0.242670 0.757330 0.242670 I\n0.757330 0.242670 0.757330 I\n0.757330 0.757330 0.242670 I\n","nsites":10,"nelements":3,"elements":["Rb","Tl","I"],"chemical_system":"I-Rb-Tl","density":4.473203211025308,"density_atomic":0.020086254933315575,"volume":497.8528866231676,"volume_molar":29.981401610170362,"formula_full":"Rb2 Tl2 I6","formula_reduced":"RbTlI3","formula_anonymous":"ABC3","energy":-26.088607440000004,"energy_per_atom":-2.6088607440000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.81460744,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006417,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.235000Z","spacegroup":225},{"id":"mp-1184503","created_at":"2022-09-04T14:42:15.578069Z","structure_string":"Gd1 Rh1 O3\n1.0\n3.963804 0.000000 0.000000\n0.000000 3.963804 0.000000\n0.000000 0.000000 3.963804\nGd Rh O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Gd","Rh","O"],"chemical_system":"Gd-O-Rh","density":8.216369643660476,"density_atomic":0.08028482953054548,"volume":62.27826638278755,"volume_molar":7.500969728918453,"formula_full":"Gd1 Rh1 O3","formula_reduced":"GdRhO3","formula_anonymous":"ABC3","energy":-46.64237829,"energy_per_atom":-9.328475658,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.58137829,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9836175,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.338000Z","spacegroup":221},{"id":"mp-1207245","created_at":"2022-09-04T14:42:19.297929Z","structure_string":"La1 Ni1 Ge3\n1.0\n4.428465 0.000000 0.000000\n0.000000 4.428465 0.000000\n-2.214232 -2.214232 4.887186\nLa Ni Ge\n1 1 3\ndirect\n0.571383 0.571383 0.142766 La\n0.233926 0.233926 0.467852 Ni\n0.329805 0.829805 0.659611 Ge\n0.829805 0.329805 0.659611 Ge\n0.992880 0.992880 0.985760 Ge\n","nsites":5,"nelements":3,"elements":["La","Ni","Ge"],"chemical_system":"Ge-La-Ni","density":7.199039349971602,"density_atomic":0.05216806196706539,"volume":95.84408182839124,"volume_molar":11.543731035670604,"formula_full":"La1 Ni1 Ge3","formula_reduced":"LaNiGe3","formula_anonymous":"ABC3","energy":-27.72631072,"energy_per_atom":-5.5452621440000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.72631072,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.130000Z","spacegroup":107},{"id":"mp-568231","created_at":"2022-09-04T14:42:24.441994Z","structure_string":"Rb6 Mn6 Br18\n1.0\n6.594264 -11.421601 0.000000\n6.594264 11.421601 0.000000\n0.000000 0.000000 6.609495\nRb Mn Br\n6 6 18\ndirect\n0.666467 0.666467 0.300572 Rb\n0.000000 0.666467 0.800572 Rb\n0.666467 0.000000 0.800572 Rb\n0.333533 0.333533 0.800572 Rb\n0.000000 0.333533 0.300572 Rb\n0.333533 0.000000 0.300572 Rb\n0.666667 0.333333 0.608702 Mn\n0.333333 0.666667 0.608702 Mn\n0.666667 0.333333 0.108702 Mn\n0.333333 0.666667 0.108702 Mn\n0.000000 0.000000 0.001635 Mn\n0.000000 0.000000 0.501635 Mn\n0.828315 0.333196 0.861254 Br\n0.837959 0.837959 0.749641 Br\n0.495119 0.828315 0.361254 Br\n0.171685 0.504881 0.861254 Br\n0.000000 0.837959 0.249641 Br\n0.504881 0.171685 0.861254 Br\n0.837959 0.000000 0.249641 Br\n0.495119 0.666804 0.861254 Br\n0.333196 0.828315 0.861254 Br\n0.171685 0.666804 0.361254 Br\n0.000000 0.162041 0.749641 Br\n0.666804 0.495119 0.861254 Br\n0.333196 0.504881 0.361254 Br\n0.828315 0.495119 0.361254 Br\n0.666804 0.171685 0.361254 Br\n0.162041 0.162041 0.249641 Br\n0.162041 0.000000 0.749641 Br\n0.504881 0.333196 0.361254 Br\n","nsites":30,"nelements":3,"elements":["Rb","Mn","Br"],"chemical_system":"Br-Mn-Rb","density":3.803881837332141,"density_atomic":0.030132118457550868,"volume":995.6153611390785,"volume_molar":19.985786158659213,"formula_full":"Rb6 Mn6 Br18","formula_reduced":"RbMnBr3","formula_anonymous":"ABC3","energy":-136.31372936,"energy_per_atom":-4.543790978666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.70172936000002,"band_gap":1.1937,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":29.9980745,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.570000Z","spacegroup":185},{"id":"mp-1184942","created_at":"2022-09-04T14:42:19.324401Z","structure_string":"K1 Au1 O3\n1.0\n4.157780 0.000000 0.000000\n0.000000 4.157780 0.000000\n0.000000 0.000000 4.157780\nK Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["K","Au","O"],"chemical_system":"Au-K-O","density":6.562651688367877,"density_atomic":0.06956415062857167,"volume":71.87610219949094,"volume_molar":8.656960094509602,"formula_full":"K1 Au1 O3","formula_reduced":"KAuO3","formula_anonymous":"ABC3","energy":-22.00390767,"energy_per_atom":-4.400781534,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.94290767,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.3575593,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.568000Z","spacegroup":221},{"id":"mp-989407","created_at":"2022-09-04T14:43:04.186556Z","structure_string":"Y2 W2 N6\n1.0\n3.594850 0.000000 0.000000\n0.000000 6.014530 0.000000\n0.000000 0.000000 6.135740\nY W N\n2 2 6\ndirect\n0.000000 0.152790 0.288530 Y\n0.000000 0.847210 0.788530 Y\n0.500000 0.690840 0.318560 W\n0.500000 0.309160 0.818560 W\n0.500000 0.106700 0.585580 N\n0.500000 0.585160 0.695030 N\n0.000000 0.772050 0.416830 N\n0.500000 0.893300 0.085580 N\n0.000000 0.227950 0.916830 N\n0.500000 0.414840 0.195030 N\n","nsites":10,"nelements":3,"elements":["Y","W","N"],"chemical_system":"N-W-Y","density":7.879840413344933,"density_atomic":0.07537903663324874,"volume":132.66287878756367,"volume_molar":7.989145296855265,"formula_full":"Y2 W2 N6","formula_reduced":"YWN3","formula_anonymous":"ABC3","energy":-100.55900034,"energy_per_atom":-10.055900034,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.39300034,"band_gap":1.5150999999999994,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.674000Z","spacegroup":26},{"id":"mp-28614","created_at":"2022-09-04T14:43:08.979982Z","structure_string":"Na2 B2 Pt6\n1.0\n2.807306 -4.862396 0.000000\n2.807306 4.862396 0.000000\n0.000000 0.000000 5.573804\nNa B Pt\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.500000 0.500000 0.757229 Pt\n0.000000 0.500000 0.757229 Pt\n0.500000 0.000000 0.757229 Pt\n0.000000 0.500000 0.242771 Pt\n0.500000 0.500000 0.242771 Pt\n0.500000 0.000000 0.242771 Pt\n","nsites":10,"nelements":3,"elements":["Na","B","Pt"],"chemical_system":"B-Na-Pt","density":13.510922285460719,"density_atomic":0.06571707604443466,"volume":152.1674517782637,"volume_molar":9.163738136992166,"formula_full":"Na2 B2 Pt6","formula_reduced":"NaBPt3","formula_anonymous":"ABC3","energy":-56.81966036,"energy_per_atom":-5.681966036,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.81966036,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.24e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.616000Z","spacegroup":191}]}