{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10224","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-nelements&page=10222","results":[{"id":"mp-1222788","created_at":"2022-09-04T14:41:23.188595Z","structure_string":"La1 Lu1 Al4\n1.0\n0.000000 3.986048 3.986048\n3.986048 0.000000 3.986048\n3.986048 3.986048 0.000000\nLa Lu Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Lu\n0.625121 0.625121 0.124636 Al\n0.625121 0.124636 0.625121 Al\n0.124636 0.625121 0.625121 Al\n0.625121 0.625121 0.625121 Al\n","nsites":6,"nelements":3,"elements":["La","Lu","Al"],"chemical_system":"Al-La-Lu","density":5.529637839191173,"density_atomic":0.04736894172422912,"volume":126.66527436755067,"volume_molar":12.7132685274235,"formula_full":"La1 Lu1 Al4","formula_reduced":"LaLuAl4","formula_anonymous":"ABC4","energy":-27.15251589,"energy_per_atom":-4.525419315,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.15251589,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1098275,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.171000Z","spacegroup":216},{"id":"mp-505639","created_at":"2022-09-04T14:41:21.283387Z","structure_string":"Rb12 Ti12 Te44\n1.0\n15.671037 0.000000 0.000000\n0.000000 10.817374 0.000000\n0.000000 10.367519 15.036359\nRb Ti Te\n12 12 44\ndirect\n0.474174 0.427139 0.148369 Rb\n0.525826 0.572861 0.851631 Rb\n0.377923 0.710889 0.557099 Rb\n0.389345 0.073580 0.876256 Rb\n0.889345 0.926420 0.623744 Rb\n0.025826 0.427139 0.648369 Rb\n0.610655 0.926420 0.123744 Rb\n0.877923 0.289111 0.942901 Rb\n0.122077 0.710889 0.057099 Rb\n0.974174 0.572861 0.351631 Rb\n0.622077 0.289111 0.442901 Rb\n0.110655 0.073580 0.376256 Rb\n0.811420 0.953350 0.324001 Ti\n0.284852 0.342213 0.977895 Ti\n0.701055 0.349536 0.680794 Ti\n0.215148 0.342213 0.477895 Ti\n0.784852 0.657787 0.522105 Ti\n0.798945 0.349536 0.180794 Ti\n0.688580 0.953350 0.824001 Ti\n0.188580 0.046650 0.675999 Ti\n0.201055 0.650464 0.819206 Ti\n0.311420 0.046650 0.175999 Ti\n0.298945 0.650464 0.319206 Ti\n0.715148 0.657787 0.022105 Ti\n0.928774 0.145459 0.191099 Te\n0.781464 0.688715 0.869357 Te\n0.564254 0.783261 0.954424 Te\n0.218536 0.311285 0.130643 Te\n0.290334 0.446355 0.806112 Te\n0.335010 0.832289 0.132122 Te\n0.428774 0.854541 0.308901 Te\n0.346701 0.087203 0.311327 Te\n0.610347 0.584953 0.526266 Te\n0.571226 0.145459 0.691099 Te\n0.389653 0.415047 0.473734 Te\n0.653299 0.912797 0.688673 Te\n0.696259 0.363543 0.050958 Te\n0.835010 0.167711 0.367878 Te\n0.803741 0.363543 0.550958 Te\n0.462732 0.595858 0.278094 Te\n0.718536 0.688715 0.369357 Te\n0.037268 0.595858 0.778094 Te\n0.281464 0.311285 0.630643 Te\n0.153299 0.087203 0.811327 Te\n0.303741 0.636457 0.949042 Te\n0.295747 0.063682 0.543585 Te\n0.336082 0.858221 0.763750 Te\n0.836082 0.141779 0.736250 Te\n0.709666 0.553645 0.193888 Te\n0.163918 0.858221 0.263750 Te\n0.790334 0.553645 0.693888 Te\n0.935746 0.783261 0.454424 Te\n0.795747 0.936318 0.956415 Te\n0.064254 0.216739 0.545576 Te\n0.071226 0.854541 0.808901 Te\n0.537268 0.404142 0.721906 Te\n0.704253 0.936318 0.456415 Te\n0.204253 0.063682 0.043585 Te\n0.110347 0.415047 0.973734 Te\n0.664990 0.167711 0.867878 Te\n0.889653 0.584953 0.026266 Te\n0.435746 0.216739 0.045576 Te\n0.962732 0.404142 0.221906 Te\n0.196259 0.636457 0.449042 Te\n0.209666 0.446355 0.306112 Te\n0.663918 0.141779 0.236250 Te\n0.164990 0.832289 0.632122 Te\n0.846701 0.912797 0.188673 Te\n","nsites":68,"nelements":3,"elements":["Rb","Ti","Te"],"chemical_system":"Rb-Te-Ti","density":4.699894480496234,"density_atomic":0.026677593167553804,"volume":2548.9555812967383,"volume_molar":22.573778384642033,"formula_full":"Rb12 Ti12 Te44","formula_reduced":"Rb3Ti3Te11","formula_anonymous":"A3B3C11","energy":-312.41602904,"energy_per_atom":-4.594353368235295,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.84802904,"band_gap":0.0809000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.1675049,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.528000Z","spacegroup":14},{"id":"mp-1013541","created_at":"2022-09-04T14:41:21.457103Z","structure_string":"Sr3 Sb1 As1\n1.0\n6.110000 0.000000 0.000000\n0.000000 6.110000 0.000000\n0.000000 0.000000 6.110000\nSr Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 As\n","nsites":5,"nelements":3,"elements":["Sr","Sb","As"],"chemical_system":"As-Sb-Sr","density":3.345417302479203,"density_atomic":0.021920293944478024,"volume":228.09913100000003,"volume_molar":27.472901482313596,"formula_full":"Sr3 Sb1 As1","formula_reduced":"Sr3SbAs","formula_anonymous":"ABC3","energy":-16.25460115,"energy_per_atom":-3.2509202299999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.06260115,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001187,"is_theoretical":true,"updated_at":"2021-11-28T01:35:19.838000Z","spacegroup":221},{"id":"mp-1111177","created_at":"2022-09-04T14:41:17.132787Z","structure_string":"K3 Ce1 Cl6\n1.0\n0.000000 5.728631 5.728631\n5.728631 0.000000 5.728631\n5.728631 5.728631 0.000000\nK Ce Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.239128 0.239128 0.760872 Cl\n0.239128 0.760872 0.760872 Cl\n0.760872 0.760872 0.239128 Cl\n0.239128 0.760872 0.239128 Cl\n0.760872 0.239128 0.760872 Cl\n0.760872 0.239128 0.239128 Cl\n","nsites":10,"nelements":3,"elements":["K","Ce","Cl"],"chemical_system":"Ce-Cl-K","density":2.0762684493649184,"density_atomic":0.02659606942254229,"volume":375.9954089879237,"volume_molar":22.64297278039046,"formula_full":"K3 Ce1 Cl6","formula_reduced":"K3CeCl6","formula_anonymous":"AB3C6","energy":-44.165603,"energy_per_atom":-4.4165602999999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.481603,"band_gap":0.3591999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9947167,"is_theoretical":true,"updated_at":"2021-11-28T01:35:16.747000Z","spacegroup":225},{"id":"mp-1110846","created_at":"2022-09-04T14:41:24.046350Z","structure_string":"K3 Bi1 F6\n1.0\n6.783217 -0.000000 -0.000000\n3.391609 5.874439 -0.000000\n3.391609 1.958146 5.538474\nK Bi F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.236160 0.763840 0.236160 F\n0.763840 0.763840 0.236160 F\n0.763840 0.236160 0.763840 F\n0.763840 0.236160 0.236160 F\n0.236160 0.763840 0.763840 F\n0.236160 0.236160 0.763840 F\n","nsites":10,"nelements":3,"elements":["K","Bi","F"],"chemical_system":"Bi-F-K","density":3.312620902840124,"density_atomic":0.045311430116713666,"volume":220.69486604686486,"volume_molar":13.29055548343565,"formula_full":"K3 Bi1 F6","formula_reduced":"K3BiF6","formula_anonymous":"AB3C6","energy":-47.34659556,"energy_per_atom":-4.7346595559999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.57459556,"band_gap":4.5618,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.67e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.456000Z","spacegroup":225},{"id":"mp-998204","created_at":"2022-09-04T14:41:21.192932Z","structure_string":"Rb1 In1 Cl3\n1.0\n3.860062 3.850696 0.000000\n-3.860062 3.850696 0.000000\n0.000000 0.021833 5.452916\nRb In Cl\n1 1 3\ndirect\n0.998308 0.998308 0.002864 Rb\n0.498450 0.498450 0.514237 In\n0.999907 0.495830 0.515894 Cl\n0.504657 0.504657 0.014376 Cl\n0.495830 0.999907 0.515894 Cl\n","nsites":5,"nelements":3,"elements":["Rb","In","Cl"],"chemical_system":"Cl-In-Rb","density":3.14117682370784,"density_atomic":0.03084449661457734,"volume":162.1034722167248,"volume_molar":19.52419854747732,"formula_full":"Rb1 In1 Cl3","formula_reduced":"RbInCl3","formula_anonymous":"ABC3","energy":-17.94815475,"energy_per_atom":-3.58963095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.10615475,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001062,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.365000Z","spacegroup":99},{"id":"mp-1223879","created_at":"2022-09-04T14:41:21.193663Z","structure_string":"In1 Ga3 N4\n1.0\n1.652803 -2.862739 0.000000\n1.652803 2.862739 0.000000\n0.000000 0.000000 10.825164\nIn Ga N\n1 3 4\ndirect\n0.666667 0.333333 0.998534 In\n0.333333 0.666667 0.259491 Ga\n0.333333 0.666667 0.738009 Ga\n0.666667 0.333333 0.498224 Ga\n0.333333 0.666667 0.079963 N\n0.333333 0.666667 0.555965 N\n0.666667 0.333333 0.316436 N\n0.666667 0.333333 0.795179 N\n","nsites":8,"nelements":3,"elements":["In","Ga","N"],"chemical_system":"Ga-In-N","density":6.160006043552587,"density_atomic":0.07809489758433849,"volume":102.43947104688127,"volume_molar":7.711311425303294,"formula_full":"In1 Ga3 N4","formula_reduced":"InGa3N4","formula_anonymous":"AB3C4","energy":-48.80298182,"energy_per_atom":-6.1003727275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-47.35898182,"band_gap":0.5781999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001249,"is_theoretical":true,"updated_at":"2021-11-28T01:35:17.908000Z","spacegroup":156},{"id":"mp-1222394","created_at":"2022-09-04T14:41:21.201699Z","structure_string":"Li1 Bi1 Te2\n1.0\n4.438213 0.000000 0.000000\n0.000000 4.438213 0.000000\n0.000000 0.000000 6.196112\nLi Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n","nsites":4,"nelements":3,"elements":["Li","Bi","Te"],"chemical_system":"Bi-Li-Te","density":6.409828172241075,"density_atomic":0.032773622691721425,"volume":122.04936993463328,"volume_molar":18.37496213539184,"formula_full":"Li1 Bi1 Te2","formula_reduced":"LiBiTe2","formula_anonymous":"ABC2","energy":-14.69089619,"energy_per_atom":-3.6727240475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.84689619,"band_gap":0.3456999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013232,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.759000Z","spacegroup":123},{"id":"mp-1111487","created_at":"2022-09-04T14:41:17.098572Z","structure_string":"Na3 Y1 Cl6\n1.0\n0.000000 5.318810 5.318810\n5.318810 0.000000 5.318810\n5.318810 5.318810 0.000000\nNa Y Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.753644 0.246356 0.246356 Cl\n0.246356 0.246356 0.753644 Cl\n0.246356 0.753644 0.753644 Cl\n0.246356 0.753644 0.246356 Cl\n0.753644 0.246356 0.753644 Cl\n0.753644 0.753644 0.246356 Cl\n","nsites":10,"nelements":3,"elements":["Na","Y","Cl"],"chemical_system":"Cl-Na-Y","density":2.0449046795418915,"density_atomic":0.03322971178695214,"volume":300.9355020625417,"volume_molar":18.122759531018964,"formula_full":"Na3 Y1 Cl6","formula_reduced":"Na3YCl6","formula_anonymous":"AB3C6","energy":-43.78575300999999,"energy_per_atom":-4.378575301,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.10175301,"band_gap":3.7304,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":8.18e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:18.267000Z","spacegroup":225},{"id":"mp-1210010","created_at":"2022-09-04T14:41:21.544242Z","structure_string":"Nd4 In8 Cl20\n1.0\n8.223423 0.000000 0.000000\n0.000000 8.822764 0.000000\n0.000000 0.000000 13.105985\nNd In Cl\n4 8 20\ndirect\n0.925179 0.750000 0.504668 Nd\n0.074821 0.250000 0.495332 Nd\n0.425179 0.250000 0.995332 Nd\n0.574821 0.750000 0.004668 Nd\n0.951760 0.005421 0.827278 In\n0.048240 0.994579 0.172722 In\n0.451760 0.994579 0.672722 In\n0.048240 0.505421 0.172722 In\n0.548240 0.005421 0.327278 In\n0.951760 0.494579 0.827278 In\n0.548240 0.494579 0.327278 In\n0.451760 0.505421 0.672722 In\n0.119141 0.750000 0.678743 Cl\n0.880859 0.250000 0.321257 Cl\n0.619141 0.250000 0.821257 Cl\n0.380859 0.750000 0.178743 Cl\n0.838803 0.042311 0.575177 Cl\n0.161197 0.957689 0.424823 Cl\n0.338803 0.957689 0.924823 Cl\n0.161197 0.542311 0.424823 Cl\n0.661197 0.042311 0.075177 Cl\n0.838803 0.457689 0.575177 Cl\n0.661197 0.457689 0.075177 Cl\n0.338803 0.542311 0.924823 Cl\n0.583291 0.750000 0.507932 Cl\n0.416709 0.250000 0.492068 Cl\n0.083291 0.250000 0.992068 Cl\n0.916709 0.750000 0.007932 Cl\n0.660640 0.750000 0.797919 Cl\n0.339360 0.250000 0.202081 Cl\n0.160640 0.250000 0.702081 Cl\n0.839360 0.750000 0.297919 Cl\n","nsites":32,"nelements":3,"elements":["Nd","In","Cl"],"chemical_system":"Cl-In-Nd","density":3.8498731967213553,"density_atomic":0.03365294060789193,"volume":950.8827288779543,"volume_molar":17.89484262361237,"formula_full":"Nd4 In8 Cl20","formula_reduced":"NdIn2Cl5","formula_anonymous":"AB2C5","energy":-140.54596968,"energy_per_atom":-4.3920615525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.26596968,"band_gap":2.8061,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0066561,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.350000Z","spacegroup":62},{"id":"mp-1353425","created_at":"2022-09-04T14:41:21.203493Z","structure_string":"Y4 Cu12 S24\n1.0\n6.737185 0.000000 0.000000\n0.000000 8.523734 0.000000\n0.000000 0.000000 14.342734\nY Cu S\n4 12 24\ndirect\n0.504757 0.952941 0.929904 Y\n0.495243 0.452941 0.570096 Y\n0.004757 0.547059 0.070096 Y\n0.995243 0.047059 0.429904 Y\n0.631930 0.213604 0.318037 Cu\n0.507231 0.514451 0.340673 Cu\n0.614461 0.814111 0.308619 Cu\n0.007231 0.985549 0.659327 Cu\n0.131930 0.286396 0.681963 Cu\n0.114461 0.685889 0.691381 Cu\n0.492769 0.014451 0.159327 Cu\n0.385539 0.314111 0.191381 Cu\n0.368070 0.713604 0.181963 Cu\n0.885539 0.185889 0.808619 Cu\n0.992769 0.485549 0.840673 Cu\n0.868070 0.786396 0.818037 Cu\n0.783272 0.194921 0.959200 S\n0.740497 0.440527 0.938974 S\n0.819334 0.787600 0.972710 S\n0.259503 0.940527 0.561026 S\n0.180666 0.287600 0.527290 S\n0.216728 0.694921 0.540800 S\n0.240497 0.059473 0.061026 S\n0.283272 0.305079 0.040800 S\n0.319334 0.712400 0.027290 S\n0.680666 0.212400 0.472710 S\n0.759503 0.559473 0.438974 S\n0.716728 0.805079 0.459200 S\n0.225213 0.115263 0.803540 S\n0.285338 0.487259 0.765845 S\n0.213795 0.865508 0.806342 S\n0.286205 0.134492 0.306342 S\n0.214662 0.512741 0.265845 S\n0.274787 0.884737 0.303540 S\n0.785338 0.012741 0.234155 S\n0.725213 0.384737 0.196460 S\n0.713795 0.634492 0.193658 S\n0.714662 0.987259 0.734155 S\n0.786205 0.365508 0.693658 S\n0.774787 0.615263 0.696460 S\n","nsites":40,"nelements":3,"elements":["Y","Cu","S"],"chemical_system":"Cu-S-Y","density":3.8058346181495484,"density_atomic":0.048564585455562984,"volume":823.6454532614172,"volume_molar":12.40027213968564,"formula_full":"Y4 Cu12 S24","formula_reduced":"Y(CuS2)3","formula_anonymous":"AB3C6","energy":-202.21714097,"energy_per_atom":-5.05542852425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-190.14514097,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007413,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.705000Z","spacegroup":19},{"id":"mp-754008","created_at":"2022-09-04T14:41:21.243046Z","structure_string":"Ba4 Cu4 O8\n1.0\n6.061027 0.000000 0.033109\n0.000000 11.910431 0.000000\n-0.020803 0.000000 3.702704\nBa Cu O\n4 4 8\ndirect\n0.981441 0.892990 0.501041 Ba\n0.519488 0.607555 0.497151 Ba\n0.480512 0.107555 0.502849 Ba\n0.018559 0.392990 0.498959 Ba\n0.983860 0.123971 0.005680 Cu\n0.514513 0.376855 0.002729 Cu\n0.485487 0.876855 0.997271 Cu\n0.016140 0.623971 0.994320 Cu\n0.989364 0.664800 0.494293 O\n0.010636 0.164800 0.505707 O\n0.258849 0.510738 0.997286 O\n0.241587 0.989463 0.001582 O\n0.511147 0.835629 0.497375 O\n0.488853 0.335629 0.502625 O\n0.758413 0.489463 0.998418 O\n0.741151 0.010738 0.002714 O\n","nsites":16,"nelements":3,"elements":["Ba","Cu","O"],"chemical_system":"Ba-Cu-O","density":5.7865534483685845,"density_atomic":0.05985686440931283,"volume":267.3043460911835,"volume_molar":10.060902487005395,"formula_full":"Ba4 Cu4 O8","formula_reduced":"BaCuO2","formula_anonymous":"ABC2","energy":-93.70268849,"energy_per_atom":-5.856418030625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.20668849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0468682,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.834000Z","spacegroup":55}]}