{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=63","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=61","results":[{"id":"mp-1112884","created_at":"2022-09-04T14:41:32.916160Z","structure_string":"Cs2 Nd1 Cu1 I6\n1.0\n0.000000 6.024773 6.024773\n6.024773 0.000000 6.024773\n6.024773 6.024773 0.000000\nCs Nd Cu I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.759039 0.240961 0.240961 I\n0.240961 0.240961 0.759039 I\n0.240961 0.759039 0.759039 I\n0.240961 0.759039 0.240961 I\n0.759039 0.240961 0.759039 I\n0.759039 0.759039 0.240961 I\n","nsites":10,"nelements":4,"elements":["Cs","Nd","Cu","I"],"chemical_system":"Cs-Cu-I-Nd","density":4.688922345074309,"density_atomic":0.0228637750941921,"volume":437.37309166149987,"volume_molar":26.339223226219342,"formula_full":"Cs2 Nd1 Cu1 I6","formula_reduced":"Cs2NdCuI6","formula_anonymous":"ABC2D6","energy":-33.82595023,"energy_per_atom":-3.3825950229999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.551950230000003,"band_gap":1.7889,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016821,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.939000Z","spacegroup":225},{"id":"mp-1214042","created_at":"2022-09-04T14:41:31.864161Z","structure_string":"Ca6 Ge8 Au14\n1.0\n4.522949 0.000000 0.000000\n0.000000 9.709272 0.000000\n0.000000 0.000000 13.299664\nCa Ge Au\n6 8 14\ndirect\n0.000000 0.000977 0.188990 Ca\n0.000000 0.999023 0.811010 Ca\n0.500000 0.499023 0.688990 Ca\n0.500000 0.500977 0.311010 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.352222 0.182681 Ge\n0.000000 0.647778 0.817319 Ge\n0.500000 0.147778 0.682681 Ge\n0.500000 0.852222 0.317319 Ge\n0.000000 0.275789 0.374598 Ge\n0.000000 0.724211 0.625402 Ge\n0.500000 0.224211 0.874598 Ge\n0.500000 0.775789 0.125402 Ge\n0.000000 0.198437 0.002733 Au\n0.000000 0.801563 0.997267 Au\n0.500000 0.301563 0.502733 Au\n0.500000 0.698437 0.497267 Au\n0.000000 0.260167 0.639237 Au\n0.000000 0.739833 0.360763 Au\n0.500000 0.239833 0.139237 Au\n0.500000 0.760167 0.860763 Au\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.613255 0.158263 Au\n0.000000 0.386745 0.841737 Au\n0.500000 0.886745 0.658263 Au\n0.500000 0.113255 0.341737 Au\n","nsites":28,"nelements":3,"elements":["Ca","Ge","Au"],"chemical_system":"Au-Ca-Ge","density":10.175981885445148,"density_atomic":0.047941211383890056,"volume":584.0486544194624,"volume_molar":12.561511455723567,"formula_full":"Ca6 Ge8 Au14","formula_reduced":"Ca3Ge4Au7","formula_anonymous":"A3B4C7","energy":-108.86249093,"energy_per_atom":-3.8879461046428574,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.86249093,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013267,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.445000Z","spacegroup":58},{"id":"mp-1223758","created_at":"2022-09-04T14:41:35.449839Z","structure_string":"In2 Ag1 Te3 Cl1\n1.0\n4.303186 0.000000 0.000000\n0.000000 4.303186 0.000000\n0.000000 0.000000 11.400480\nIn Ag Te Cl\n2 1 3 1\ndirect\n0.500000 0.500000 0.730084 In\n0.500000 0.500000 0.269916 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.752910 Te\n0.000000 0.000000 0.247090 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Cl\n","nsites":7,"nelements":4,"elements":["In","Ag","Te","Cl"],"chemical_system":"Ag-Cl-In-Te","density":5.944673640731726,"density_atomic":0.03315848398716388,"volume":211.1073595134747,"volume_molar":18.161689063743854,"formula_full":"In2 Ag1 Te3 Cl1","formula_reduced":"In2AgTe3Cl","formula_anonymous":"ABC2D3","energy":-23.75980793,"energy_per_atom":-3.394258275714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.87980793,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003417,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.537000Z","spacegroup":123},{"id":"mp-1400697","created_at":"2022-09-04T14:41:35.459111Z","structure_string":"Bi2 Pd3 Pt1 O8\n1.0\n5.828031 0.000000 0.000000\n-2.306393 5.745016 0.000000\n-0.626477 -3.212531 5.634102\nBi Pd Pt O\n2 3 1 8\ndirect\n0.217456 0.593224 0.644805 Bi\n0.782544 0.406776 0.355195 Bi\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pt\n0.419423 0.172262 0.226395 O\n0.580577 0.827738 0.773605 O\n0.883386 0.653809 0.991216 O\n0.116614 0.346191 0.008784 O\n0.275236 0.621465 0.241981 O\n0.724764 0.378535 0.758019 O\n0.195895 0.217912 0.642968 O\n0.804105 0.782088 0.357032 O\n","nsites":14,"nelements":4,"elements":["Bi","Pd","Pt","O"],"chemical_system":"Bi-O-Pd-Pt","density":9.333403851980606,"density_atomic":0.07421475101421136,"volume":188.64174316665353,"volume_molar":8.114479504009683,"formula_full":"Bi2 Pd3 Pt1 O8","formula_reduced":"Bi2Pd3PtO8","formula_anonymous":"AB2C3D8","energy":-30.679263400000004,"energy_per_atom":-2.1913759571428573,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.9592634,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.77e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.846000Z","spacegroup":2},{"id":"mp-766234","created_at":"2022-09-04T14:41:35.466520Z","structure_string":"P8 W4 O32\n1.0\n12.988521 0.000000 0.000000\n0.000000 4.991422 0.000000\n0.000000 3.937510 10.786330\nP W O\n8 4 32\ndirect\n0.086960 0.307366 0.883803 P\n0.750666 0.406211 0.793519 P\n0.250666 0.593789 0.706481 P\n0.586960 0.692634 0.616197 P\n0.413040 0.307366 0.383803 P\n0.749334 0.406211 0.293519 P\n0.249334 0.593789 0.206481 P\n0.913040 0.692634 0.116197 P\n0.572968 0.905890 0.287591 W\n0.072968 0.094110 0.212409 W\n0.927032 0.905890 0.787591 W\n0.427032 0.094110 0.712409 W\n0.838214 0.239166 0.752078 O\n0.308161 0.350740 0.674828 O\n0.676523 0.237023 0.885377 O\n0.516242 0.432734 0.637463 O\n0.554182 0.924697 0.137097 O\n0.950393 0.859760 0.200082 O\n0.199881 0.417425 0.841374 O\n0.699881 0.582575 0.658626 O\n0.094596 0.126447 0.018525 O\n0.016242 0.567266 0.862537 O\n0.176523 0.762977 0.614623 O\n0.594596 0.873553 0.481475 O\n0.808161 0.649260 0.825172 O\n0.338214 0.760834 0.747922 O\n0.450393 0.140240 0.299918 O\n0.054182 0.075303 0.362903 O\n0.945818 0.924697 0.637097 O\n0.549607 0.859760 0.700082 O\n0.661786 0.239166 0.252078 O\n0.191839 0.350740 0.174828 O\n0.405404 0.126447 0.518525 O\n0.823477 0.237023 0.385377 O\n0.983758 0.432734 0.137463 O\n0.905404 0.873553 0.981475 O\n0.300119 0.417425 0.341374 O\n0.800119 0.582575 0.158626 O\n0.049607 0.140240 0.799918 O\n0.445818 0.075303 0.862903 O\n0.483758 0.567266 0.362537 O\n0.323477 0.762977 0.114623 O\n0.691839 0.649260 0.325172 O\n0.161786 0.760834 0.247922 O\n","nsites":44,"nelements":3,"elements":["P","W","O"],"chemical_system":"O-P-W","density":3.5503455197393956,"density_atomic":0.06292090835445935,"volume":699.2906038820976,"volume_molar":9.570969201644077,"formula_full":"P8 W4 O32","formula_reduced":"P2WO8","formula_anonymous":"AB2C8","energy":-359.22454016999995,"energy_per_atom":-8.164194094772727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.48854017,"band_gap":2.6446,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.09e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:30.744000Z","spacegroup":14},{"id":"mp-505750","created_at":"2022-09-04T14:41:32.930209Z","structure_string":"Rb8 Sn16 Se32\n1.0\n20.046692 0.000000 0.000000\n0.000000 7.790915 0.000000\n0.000000 6.697264 12.993821\nRb Sn Se\n8 16 32\ndirect\n0.558729 0.662394 0.580799 Rb\n0.441271 0.337606 0.419201 Rb\n0.199810 0.589849 0.583507 Rb\n0.699810 0.410151 0.916493 Rb\n0.300190 0.589849 0.083507 Rb\n0.941271 0.662394 0.080799 Rb\n0.800190 0.410151 0.416493 Rb\n0.058729 0.337606 0.919201 Rb\n0.535760 0.855539 0.825243 Sn\n0.638701 0.894826 0.242466 Sn\n0.678929 0.120882 0.710212 Sn\n0.875821 0.446569 0.692681 Sn\n0.138701 0.105174 0.257534 Sn\n0.624179 0.446569 0.192681 Sn\n0.035760 0.144461 0.674757 Sn\n0.361299 0.105174 0.757534 Sn\n0.124179 0.553431 0.307319 Sn\n0.464240 0.144461 0.174757 Sn\n0.375821 0.553431 0.807319 Sn\n0.178929 0.879118 0.789788 Sn\n0.964240 0.855539 0.325243 Sn\n0.821071 0.120882 0.210212 Sn\n0.861299 0.894826 0.742466 Sn\n0.321071 0.879118 0.289788 Sn\n0.716594 0.453545 0.663864 Se\n0.978437 0.527218 0.337184 Se\n0.939463 0.111439 0.135741 Se\n0.133439 0.926564 0.149774 Se\n0.122008 0.467025 0.143392 Se\n0.557769 0.041624 0.087734 Se\n0.248204 0.064825 0.362325 Se\n0.216594 0.546455 0.836136 Se\n0.560537 0.111439 0.635741 Se\n0.633439 0.073436 0.350226 Se\n0.942231 0.041624 0.587734 Se\n0.478437 0.472782 0.162816 Se\n0.283406 0.546455 0.336136 Se\n0.366561 0.926564 0.649774 Se\n0.850220 0.889000 0.402259 Se\n0.060537 0.888561 0.864259 Se\n0.442231 0.958376 0.912266 Se\n0.748204 0.935175 0.137675 Se\n0.521563 0.527218 0.837184 Se\n0.149780 0.111000 0.597741 Se\n0.649780 0.889000 0.902259 Se\n0.021563 0.472782 0.662816 Se\n0.439463 0.888561 0.364259 Se\n0.057769 0.958376 0.412266 Se\n0.350220 0.111000 0.097741 Se\n0.251796 0.064825 0.862325 Se\n0.751796 0.935175 0.637675 Se\n0.866561 0.073436 0.850226 Se\n0.783406 0.453545 0.163864 Se\n0.377992 0.467025 0.643392 Se\n0.877992 0.532975 0.856608 Se\n0.622008 0.532975 0.356608 Se\n","nsites":56,"nelements":3,"elements":["Rb","Sn","Se"],"chemical_system":"Rb-Se-Sn","density":4.181064232178622,"density_atomic":0.027594336960184932,"volume":2029.4019052097817,"volume_molar":21.823828449616936,"formula_full":"Rb8 Sn16 Se32","formula_reduced":"Rb(SnSe2)2","formula_anonymous":"AB2C4","energy":-232.9338673,"energy_per_atom":-4.159533344642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-217.8298673,"band_gap":0.8822000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0204433,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.650000Z","spacegroup":14},{"id":"mp-1223967","created_at":"2022-09-04T14:41:31.894466Z","structure_string":"Hg2 I3 Br1\n1.0\n2.600657 3.754531 0.000000\n-2.600657 3.754531 0.000000\n0.000000 0.371075 14.065814\nHg I Br\n2 3 1\ndirect\n0.659792 0.659792 0.665942 Hg\n0.335547 0.335547 0.169041 Hg\n0.407626 0.407626 0.536221 I\n0.592274 0.592274 0.036860 I\n0.913990 0.913990 0.795405 I\n0.090772 0.090772 0.291812 Br\n","nsites":6,"nelements":3,"elements":["Hg","I","Br"],"chemical_system":"Br-Hg-I","density":5.209795120586864,"density_atomic":0.021843267937723898,"volume":274.68417349941683,"volume_molar":27.569779289295834,"formula_full":"Hg2 I3 Br1","formula_reduced":"Hg2I3Br","formula_anonymous":"AB2C3","energy":-10.50770279,"energy_per_atom":-1.7512837983333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.83670279,"band_gap":2.2149,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.68e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.180000Z","spacegroup":8},{"id":"mp-23482","created_at":"2022-09-04T14:41:35.859397Z","structure_string":"Ba2 Bi2 O6\n1.0\n5.370031 -3.137718 0.000000\n5.370031 3.137718 0.000000\n3.536657 0.000000 5.116108\nBa Bi O\n2 2 6\ndirect\n0.249690 0.249690 0.249690 Ba\n0.750310 0.750310 0.750310 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.695382 0.240457 0.820388 O\n0.820388 0.695382 0.240457 O\n0.240457 0.820388 0.695382 O\n0.304618 0.759543 0.179612 O\n0.759543 0.179612 0.304618 O\n0.179612 0.304618 0.759543 O\n","nsites":10,"nelements":3,"elements":["Ba","Bi","O"],"chemical_system":"Ba-Bi-O","density":7.595417254321259,"density_atomic":0.05800154987941122,"volume":172.40918597504057,"volume_molar":10.38272386258712,"formula_full":"Ba2 Bi2 O6","formula_reduced":"BaBiO3","formula_anonymous":"ABC3","energy":-63.62595421,"energy_per_atom":-6.362595421,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.50395421,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001138,"is_theoretical":false,"updated_at":"2021-11-28T01:35:29.378000Z","spacegroup":148},{"id":"mp-1106045","created_at":"2022-09-04T14:41:46.931611Z","structure_string":"Li4 H8 N4\n1.0\n3.650383 0.000000 0.000000\n0.000000 5.455225 0.000000\n0.000000 0.000000 6.235586\nLi H N\n4 8 4\ndirect\n0.012846 0.708661 0.626247 Li\n0.512846 0.791339 0.373753 Li\n0.487154 0.291339 0.126247 Li\n0.987154 0.208661 0.873753 Li\n0.479546 0.492757 0.766880 H\n0.979546 0.007243 0.233120 H\n0.020454 0.507243 0.266880 H\n0.520454 0.992757 0.733120 H\n0.564639 0.352356 0.544340 H\n0.064639 0.147644 0.455660 H\n0.935361 0.647644 0.044340 H\n0.435361 0.852356 0.955660 H\n0.019282 0.975955 0.394418 N\n0.519282 0.524045 0.605582 N\n0.480718 0.024045 0.894418 N\n0.980718 0.475955 0.105582 N\n","nsites":16,"nelements":3,"elements":["Li","H","N"],"chemical_system":"H-Li-N","density":1.2283448508321784,"density_atomic":0.12885213187297306,"volume":124.17334325343843,"volume_molar":4.673683448200016,"formula_full":"Li4 H8 N4","formula_reduced":"LiH2N","formula_anonymous":"ABC2","energy":-76.71217243000001,"energy_per_atom":-4.794510776875001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-75.26817243,"band_gap":2.8911,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006182,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.879000Z","spacegroup":19},{"id":"mp-1228100","created_at":"2022-09-04T14:41:35.873346Z","structure_string":"Ba4 Ca1 Zr5 O15\n1.0\n2.994020 -14.966443 0.000000\n2.994020 14.966443 0.000000\n0.000000 0.000000 4.233654\nBa Ca Zr O\n4 1 5 15\ndirect\n0.900164 0.099836 0.500000 Ba\n0.300038 0.699962 0.500000 Ba\n0.699962 0.300038 0.500000 Ba\n0.099836 0.900164 0.500000 Ba\n0.500000 0.500000 0.500000 Ca\n0.199937 0.800063 0.000000 Zr\n0.599371 0.400629 0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n0.400629 0.599371 0.000000 Zr\n0.800063 0.199937 0.000000 Zr\n0.899705 0.599957 0.000000 O\n0.301807 0.203089 0.000000 O\n0.698193 0.796911 0.000000 O\n0.100295 0.400043 0.000000 O\n0.500000 0.000000 0.000000 O\n0.400043 0.100295 0.000000 O\n0.796911 0.698193 0.000000 O\n0.203089 0.301807 0.000000 O\n0.599957 0.899705 0.000000 O\n0.000000 0.500000 0.000000 O\n0.200008 0.799992 0.500000 O\n0.599292 0.400708 0.500000 O\n0.000000 0.000000 0.500000 O\n0.400708 0.599292 0.500000 O\n0.799992 0.200008 0.500000 O\n","nsites":25,"nelements":4,"elements":["Ba","Ca","Zr","O"],"chemical_system":"Ba-Ca-O-Zr","density":5.626023141543212,"density_atomic":0.06589028074180468,"volume":379.4186292507102,"volume_molar":9.139649569256122,"formula_full":"Ba4 Ca1 Zr5 O15","formula_reduced":"Ba4CaZr5O15","formula_anonymous":"AB4C5D15","energy":-216.65757766,"energy_per_atom":-8.6663031064,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.35257766,"band_gap":3.0705,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020311,"is_theoretical":true,"updated_at":"2021-11-28T01:35:29.512000Z","spacegroup":65},{"id":"mp-1009767","created_at":"2022-09-04T14:41:31.902510Z","structure_string":"Ag1 N1\n1.0\n1.576895 -2.731262 0.000000\n1.576895 2.731262 0.000000\n0.000000 0.000000 2.939526\nAg N\n1 1\ndirect\n0.666667 0.333333 0.000000 Ag\n0.000000 0.000000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Ag","N"],"chemical_system":"Ag-N","density":7.9926340665769695,"density_atomic":0.07898717030123738,"volume":25.320567788066068,"volume_molar":7.624201167142785,"formula_full":"Ag1 N1","formula_reduced":"AgN","formula_anonymous":"AB","energy":-8.080198170000001,"energy_per_atom":-4.0400990850000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.71919817,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004318,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.620000Z","spacegroup":187},{"id":"mp-862257","created_at":"2022-09-04T14:41:48.355316Z","structure_string":"Sc2 Zn1 Au1\n1.0\n0.000000 3.384466 3.384466\n3.384466 0.000000 3.384466\n3.384466 3.384466 0.000000\nSc Zn Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Au\n","nsites":4,"nelements":3,"elements":["Sc","Zn","Au"],"chemical_system":"Au-Sc-Zn","density":7.544765341287747,"density_atomic":0.05158928738855647,"volume":77.53547688831382,"volume_molar":11.673238892878816,"formula_full":"Sc2 Zn1 Au1","formula_reduced":"Sc2ZnAu","formula_anonymous":"ABC2","energy":-19.59464079,"energy_per_atom":-4.8986601975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.59464079,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0081191,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.960000Z","spacegroup":225}]}