{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=10230","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=10228","results":[{"id":"mp-1102423","created_at":"2022-09-04T14:41:02.161830Z","structure_string":"Ce4 Al4 Au4\n1.0\n4.570989 0.000000 0.000000\n0.000000 7.478127 0.000000\n0.000000 0.000000 7.807924\nCe Al Au\n4 4 4\ndirect\n0.250000 0.010109 0.304210 Ce\n0.250000 0.510109 0.195790 Ce\n0.750000 0.989891 0.695790 Ce\n0.750000 0.489891 0.804210 Ce\n0.250000 0.175897 0.921777 Al\n0.250000 0.675897 0.578223 Al\n0.750000 0.824103 0.078223 Al\n0.750000 0.324103 0.421777 Al\n0.250000 0.296804 0.596452 Au\n0.250000 0.796804 0.903548 Au\n0.750000 0.703196 0.403548 Au\n0.750000 0.203196 0.096452 Au\n","nsites":12,"nelements":3,"elements":["Ce","Al","Au"],"chemical_system":"Al-Au-Ce","density":9.06042069866601,"density_atomic":0.044961693013958706,"volume":266.89386443420864,"volume_molar":13.393936830026352,"formula_full":"Ce4 Al4 Au4","formula_reduced":"CeAlAu","formula_anonymous":"ABC","energy":-59.74899957,"energy_per_atom":-4.9790832975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.74899957,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.5511822,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.639000Z","spacegroup":62},{"id":"mp-10525","created_at":"2022-09-04T14:40:17.060806Z","structure_string":"Na1 Li2 N1\n1.0\n0.000000 2.708208 2.708208\n2.708208 0.000000 2.708208\n2.708208 2.708208 0.000000\nNa Li N\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 N\n","nsites":4,"nelements":3,"elements":["Na","Li","N"],"chemical_system":"Li-N-Na","density":2.126704199116274,"density_atomic":0.10068944469146342,"volume":39.72611044044347,"volume_molar":5.980905722991405,"formula_full":"Na1 Li2 N1","formula_reduced":"NaLi2N","formula_anonymous":"ABC2","energy":-13.59104257,"energy_per_atom":-3.3977606425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.23004257,"band_gap":2.1347,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000144,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.637000Z","spacegroup":225},{"id":"mp-1018107","created_at":"2022-09-04T14:40:14.725061Z","structure_string":"Zr1 Te2\n1.0\n1.992100 -3.450418 0.000000\n1.992100 3.450418 0.000000\n0.000000 0.000000 6.995566\nZr Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.743282 Te\n0.333333 0.666667 0.256718 Te\n","nsites":3,"nelements":2,"elements":["Zr","Te"],"chemical_system":"Te-Zr","density":5.981655114979786,"density_atomic":0.031195040550854577,"volume":96.16913288217592,"volume_molar":19.30480183278693,"formula_full":"Zr1 Te2","formula_reduced":"ZrTe2","formula_anonymous":"AB2","energy":-18.320547360000003,"energy_per_atom":-6.106849120000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.47654736,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002235,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.636000Z","spacegroup":164},{"id":"mp-21013","created_at":"2022-09-04T14:40:08.614382Z","structure_string":"Cs2 Li1 Fe1 C6 N6\n1.0\n0.000000 5.321568 5.321568\n5.321568 0.000000 5.321568\n5.321568 5.321568 0.000000\nCs Li Fe C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.179272 0.820728 0.179272 C\n0.820728 0.179272 0.820728 C\n0.820728 0.820728 0.179272 C\n0.179272 0.179272 0.820728 C\n0.179272 0.820728 0.820728 C\n0.820728 0.179272 0.179272 C\n0.289903 0.710097 0.289903 N\n0.710097 0.710097 0.289903 N\n0.710097 0.289903 0.710097 N\n0.289903 0.289903 0.710097 N\n0.289903 0.710097 0.710097 N\n0.710097 0.289903 0.289903 N\n","nsites":16,"nelements":5,"elements":["Cs","Li","Fe","C","N"],"chemical_system":"C-Cs-Fe-Li-N","density":2.670388454640284,"density_atomic":0.053084916544530486,"volume":301.40388346618835,"volume_molar":11.344353824025145,"formula_full":"Cs2 Li1 Fe1 C6 N6","formula_reduced":"Cs2LiFe(CN)6","formula_anonymous":"ABC2D6E6","energy":-121.7754414,"energy_per_atom":-7.6109650875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.6094414,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0150623,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.635000Z","spacegroup":225},{"id":"mp-757680","created_at":"2022-09-04T14:40:55.785605Z","structure_string":"Li8 Ni8 P8 O32\n1.0\n4.785757 0.000000 0.000000\n0.000000 7.364897 0.000000\n0.000000 0.799388 17.614166\nLi Ni P O\n8 8 8 32\ndirect\n0.779530 0.137043 0.775971 Li\n0.720470 0.137043 0.275971 Li\n0.216755 0.346025 0.514190 Li\n0.283245 0.346025 0.014190 Li\n0.716755 0.653975 0.985810 Li\n0.783245 0.653975 0.485810 Li\n0.279530 0.862957 0.724029 Li\n0.220470 0.862957 0.224029 Li\n0.713684 0.041834 0.600103 Ni\n0.786316 0.041834 0.100103 Ni\n0.349506 0.497348 0.827085 Ni\n0.150494 0.497348 0.327085 Ni\n0.849506 0.502652 0.672915 Ni\n0.650494 0.502652 0.172915 Ni\n0.213684 0.958166 0.899897 Ni\n0.286316 0.958166 0.399897 Ni\n0.358205 0.255052 0.678845 P\n0.141795 0.255052 0.178845 P\n0.691444 0.224562 0.930734 P\n0.808556 0.224562 0.430734 P\n0.191444 0.775438 0.569266 P\n0.308556 0.775438 0.069266 P\n0.858205 0.744948 0.821155 P\n0.641795 0.744948 0.321155 P\n0.493584 0.073070 0.706502 O\n0.006416 0.073070 0.206502 O\n0.597725 0.172038 0.012194 O\n0.549952 0.108171 0.870776 O\n0.459834 0.279749 0.596097 O\n0.039060 0.261434 0.691038 O\n0.902275 0.172038 0.512194 O\n0.950048 0.108171 0.370776 O\n0.040166 0.279749 0.096097 O\n0.460940 0.261434 0.191038 O\n0.013049 0.211502 0.920552 O\n0.486951 0.211502 0.420552 O\n0.493940 0.411710 0.725370 O\n0.006060 0.411710 0.225370 O\n0.579259 0.425036 0.916746 O\n0.920741 0.425036 0.416746 O\n0.079259 0.574964 0.583254 O\n0.420741 0.574964 0.083254 O\n0.993940 0.588290 0.774630 O\n0.506060 0.588290 0.274630 O\n0.513049 0.788498 0.579448 O\n0.986951 0.788498 0.079448 O\n0.539060 0.738566 0.808962 O\n0.959834 0.720251 0.903903 O\n0.049952 0.891829 0.629224 O\n0.097725 0.827962 0.487806 O\n0.960940 0.738566 0.308962 O\n0.540166 0.720251 0.403903 O\n0.450048 0.891829 0.129224 O\n0.402275 0.827962 0.987806 O\n0.993584 0.926930 0.793498 O\n0.506416 0.926930 0.293498 O\n","nsites":56,"nelements":4,"elements":["Li","Ni","P","O"],"chemical_system":"Li-Ni-O-P","density":3.436535234522823,"density_atomic":0.09020043279209083,"volume":620.8395931877427,"volume_molar":6.676398963495936,"formula_full":"Li8 Ni8 P8 O32","formula_reduced":"LiNiPO4","formula_anonymous":"ABCD4","energy":-390.7728998,"energy_per_atom":-6.9780874964285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-348.4608998,"band_gap":2.8167000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999167,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.634000Z","spacegroup":14},{"id":"mp-10402","created_at":"2022-09-04T14:40:14.308186Z","structure_string":"Ti1 Tl2 F6\n1.0\n3.019712 -5.230294 0.000000\n3.019712 5.230294 0.000000\n0.000000 0.000000 4.951724\nTi Tl F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.310919 Tl\n0.333333 0.666667 0.689081 Tl\n0.849800 0.150200 0.784475 F\n0.849800 0.699601 0.784475 F\n0.300399 0.150200 0.784475 F\n0.150200 0.849800 0.215525 F\n0.150200 0.300399 0.215525 F\n0.699601 0.849800 0.215525 F\n","nsites":9,"nelements":3,"elements":["Ti","Tl","F"],"chemical_system":"F-Ti-Tl","density":6.057885964760942,"density_atomic":0.05753928452996918,"volume":156.41487504614997,"volume_molar":10.466137716508076,"formula_full":"Ti1 Tl2 F6","formula_reduced":"TiTl2F6","formula_anonymous":"AB2C6","energy":-51.61101821,"energy_per_atom":-5.7345575788888885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.83901821,"band_gap":3.8846,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000955,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.634000Z","spacegroup":164},{"id":"mp-1072444","created_at":"2022-09-04T14:40:15.849589Z","structure_string":"U1 Pt5\n1.0\n0.000000 3.747369 3.747369\n3.747369 0.000000 3.747369\n3.747369 3.747369 0.000000\nU Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Pt\n0.624723 0.624723 0.125831 Pt\n0.624723 0.125831 0.624723 Pt\n0.125831 0.624723 0.624723 Pt\n0.624723 0.624723 0.624723 Pt\n","nsites":6,"nelements":2,"elements":["U","Pt"],"chemical_system":"Pt-U","density":19.145257784598794,"density_atomic":0.057008796837692985,"volume":105.24691508719808,"volume_molar":10.563528953514576,"formula_full":"U1 Pt5","formula_reduced":"UPt5","formula_anonymous":"AB5","energy":-44.85812261,"energy_per_atom":-7.476353768333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.85812261,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028598,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.631000Z","spacegroup":216},{"id":"mp-1221504","created_at":"2022-09-04T14:40:33.573621Z","structure_string":"Mo12 Pd4 Pt4 N4\n1.0\n6.887906 0.000000 0.000000\n0.000000 6.887906 0.000000\n0.000000 0.000000 6.887906\nMo Pd Pt N\n12 4 4 4\ndirect\n0.124404 0.800200 0.047871 Mo\n0.375596 0.199800 0.547871 Mo\n0.875596 0.300200 0.452129 Mo\n0.624404 0.699800 0.952129 Mo\n0.800200 0.047871 0.124404 Mo\n0.199800 0.547871 0.375596 Mo\n0.300200 0.452129 0.875596 Mo\n0.699800 0.952129 0.624404 Mo\n0.047871 0.124404 0.800200 Mo\n0.547871 0.375596 0.199800 Mo\n0.452129 0.875596 0.300200 Mo\n0.952129 0.624404 0.699800 Mo\n0.691177 0.308823 0.808823 Pd\n0.308823 0.808823 0.691177 Pd\n0.808823 0.691177 0.308823 Pd\n0.191177 0.191177 0.191177 Pd\n0.059240 0.940760 0.440760 Pt\n0.440760 0.059240 0.940760 Pt\n0.940760 0.440760 0.059240 Pt\n0.559240 0.559240 0.559240 Pt\n0.375765 0.624235 0.124235 N\n0.124235 0.375765 0.624235 N\n0.624235 0.124235 0.375765 N\n0.875765 0.875765 0.875765 N\n","nsites":24,"nelements":4,"elements":["Mo","Pd","Pt","N"],"chemical_system":"Mo-N-Pd-Pt","density":12.263173663934976,"density_atomic":0.0734428644132273,"volume":326.7846398931783,"volume_molar":8.19976291517763,"formula_full":"Mo12 Pd4 Pt4 N4","formula_reduced":"Mo3PdPtN","formula_anonymous":"ABCD3","energy":-216.91508405,"energy_per_atom":-9.038128502083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-215.47108405,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005097,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.630000Z","spacegroup":198},{"id":"mp-23193","created_at":"2022-09-04T14:40:25.843887Z","structure_string":"K1 Cl1\n1.0\n0.000000 3.191796 3.191796\n3.191796 0.000000 3.191796\n3.191796 3.191796 0.000000\nK Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cl\n","nsites":2,"nelements":2,"elements":["K","Cl"],"chemical_system":"Cl-K","density":1.9035704058183411,"density_atomic":0.030753505128334285,"volume":65.03323740347665,"volume_molar":19.581965486111663,"formula_full":"K1 Cl1","formula_reduced":"KCl","formula_anonymous":"AB","energy":-7.47540409,"energy_per_atom":-3.737702045,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.86140409,"band_gap":5.027,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001108,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.629000Z","spacegroup":225},{"id":"mp-1208663","created_at":"2022-09-04T14:40:16.417615Z","structure_string":"Sr4 P8 Pd4 O28\n1.0\n6.073591 0.000000 0.000000\n0.000000 7.436712 0.000000\n0.000000 0.000000 13.606417\nSr P Pd O\n4 8 4 28\ndirect\n0.250000 0.743372 0.241991 Sr\n0.750000 0.256628 0.758009 Sr\n0.750000 0.243372 0.258009 Sr\n0.250000 0.756628 0.741991 Sr\n0.250000 0.284167 0.122216 P\n0.750000 0.715833 0.877784 P\n0.750000 0.784167 0.377784 P\n0.250000 0.215833 0.622216 P\n0.250000 0.177074 0.410743 P\n0.750000 0.822926 0.589257 P\n0.750000 0.677074 0.089257 P\n0.250000 0.322926 0.910743 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.250000 0.026206 0.338396 O\n0.750000 0.973794 0.661604 O\n0.750000 0.526206 0.161604 O\n0.250000 0.473794 0.838396 O\n0.250000 0.403326 0.022372 O\n0.750000 0.596674 0.977628 O\n0.750000 0.903326 0.477628 O\n0.250000 0.096674 0.522372 O\n0.250000 0.410357 0.208132 O\n0.750000 0.589643 0.791868 O\n0.750000 0.910357 0.291868 O\n0.250000 0.089643 0.708132 O\n0.034457 0.290557 0.403046 O\n0.965543 0.709443 0.596954 O\n0.965543 0.790557 0.096954 O\n0.534457 0.709443 0.596954 O\n0.034457 0.209443 0.903046 O\n0.465543 0.290557 0.403046 O\n0.465543 0.209443 0.903046 O\n0.534457 0.790557 0.096954 O\n0.037677 0.165937 0.120284 O\n0.962323 0.834063 0.879716 O\n0.962323 0.665937 0.379716 O\n0.537677 0.834063 0.879716 O\n0.037677 0.334063 0.620284 O\n0.462323 0.165937 0.120284 O\n0.462323 0.334063 0.620284 O\n0.537677 0.665937 0.379716 O\n","nsites":44,"nelements":4,"elements":["Sr","P","Pd","O"],"chemical_system":"O-P-Pd-Sr","density":3.9771039674649864,"density_atomic":0.07159495061590344,"volume":614.5684803395374,"volume_molar":8.411404307418152,"formula_full":"Sr4 P8 Pd4 O28","formula_reduced":"SrP2PdO7","formula_anonymous":"ABC2D7","energy":-324.02092701,"energy_per_atom":-7.3641119774999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-304.78492701,"band_gap":0.5015000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006074,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.628000Z","spacegroup":62},{"id":"mp-1191051","created_at":"2022-09-04T14:40:53.352046Z","structure_string":"U4 Fe4 B16\n1.0\n3.375396 0.000000 0.000000\n0.000000 5.873074 0.000000\n0.000000 0.000000 11.381203\nU Fe B\n4 4 16\ndirect\n0.000000 0.627420 0.349569 U\n0.000000 0.372580 0.650431 U\n0.000000 0.127420 0.150431 U\n0.000000 0.872580 0.849569 U\n0.000000 0.634783 0.088891 Fe\n0.000000 0.365217 0.911109 Fe\n0.000000 0.134783 0.411109 Fe\n0.000000 0.865217 0.588891 Fe\n0.500000 0.783738 0.186782 B\n0.500000 0.216262 0.813218 B\n0.500000 0.283738 0.313218 B\n0.500000 0.716262 0.686782 B\n0.500000 0.864972 0.034086 B\n0.500000 0.135028 0.965914 B\n0.500000 0.364972 0.465914 B\n0.500000 0.635028 0.534086 B\n0.500000 0.886362 0.454281 B\n0.500000 0.113638 0.545719 B\n0.500000 0.386362 0.045719 B\n0.500000 0.613638 0.954281 B\n0.500000 0.975761 0.308728 B\n0.500000 0.024239 0.691272 B\n0.500000 0.475761 0.191272 B\n0.500000 0.524239 0.808728 B\n","nsites":24,"nelements":3,"elements":["U","Fe","B"],"chemical_system":"B-Fe-U","density":9.924589226866964,"density_atomic":0.10637335761252206,"volume":225.62040475795573,"volume_molar":5.66132431575243,"formula_full":"U4 Fe4 B16","formula_reduced":"UFeB4","formula_anonymous":"ABC4","energy":-198.92555817,"energy_per_atom":-8.28856492375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.92555817,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3389831,"is_theoretical":false,"updated_at":"2021-11-28T01:34:56.626000Z","spacegroup":55},{"id":"mp-1224030","created_at":"2022-09-04T14:40:01.104164Z","structure_string":"In1 Cu1 O3\n1.0\n5.793300 -1.723667 0.000000\n5.793300 1.723667 0.000000\n5.280461 0.000000 2.941102\nIn Cu O\n1 1 3\ndirect\n0.497831 0.497831 0.497831 In\n0.003053 0.003053 0.003053 Cu\n0.111910 0.111910 0.111910 O\n0.893412 0.893412 0.893412 O\n0.343328 0.343328 0.343328 O\n","nsites":5,"nelements":3,"elements":["In","Cu","O"],"chemical_system":"Cu-In-O","density":6.3993156993368725,"density_atomic":0.08512370864570641,"volume":58.73804230981655,"volume_molar":7.074575175131015,"formula_full":"In1 Cu1 O3","formula_reduced":"InCuO3","formula_anonymous":"ABC3","energy":-28.56116346,"energy_per_atom":-5.712232692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.500163460000003,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0731777,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.625000Z","spacegroup":160}]}