{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=37","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-updated_at&page=35","results":[{"id":"mp-1066162","created_at":"2022-09-04T14:48:31.111953Z","structure_string":"Ir2 N2\n1.0\n1.548064 -2.681325 0.000000\n1.548064 2.681325 0.000000\n0.000000 0.000000 5.187796\nIr N\n2 2\ndirect\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n","nsites":4,"nelements":2,"elements":["Ir","N"],"chemical_system":"Ir-N","density":15.90253694865138,"density_atomic":0.09287711934076891,"volume":43.06765787302125,"volume_molar":6.483987447871404,"formula_full":"Ir2 N2","formula_reduced":"IrN","formula_anonymous":"AB","energy":-30.3017713,"energy_per_atom":-7.575442825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.5797713,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008282,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.388000Z","spacegroup":194},{"id":"mp-1207563","created_at":"2022-09-04T14:48:30.848844Z","structure_string":"Yb4 Mo4 O20\n1.0\n12.784248 0.000000 0.000000\n0.000000 5.382963 0.000000\n0.000000 3.315678 6.308496\nYb Mo O\n4 4 20\ndirect\n0.558483 0.659562 0.229335 Yb\n0.441517 0.340438 0.770665 Yb\n0.058483 0.340438 0.270665 Yb\n0.941517 0.659562 0.729335 Yb\n0.859161 0.911137 0.137930 Mo\n0.140839 0.088863 0.862070 Mo\n0.359161 0.088863 0.362070 Mo\n0.640839 0.911137 0.637930 Mo\n0.926274 0.523087 0.447747 O\n0.073726 0.476913 0.552253 O\n0.426274 0.476913 0.052253 O\n0.573726 0.523087 0.947747 O\n0.428012 0.017997 0.156439 O\n0.571988 0.982003 0.843561 O\n0.928012 0.982003 0.343561 O\n0.071988 0.017997 0.656439 O\n0.933262 0.699698 0.042769 O\n0.066738 0.300302 0.957231 O\n0.433262 0.300302 0.457231 O\n0.566738 0.699698 0.542769 O\n0.730003 0.792471 0.209131 O\n0.269997 0.207529 0.790869 O\n0.230003 0.207529 0.290869 O\n0.769997 0.792471 0.709131 O\n0.152677 0.755717 0.083397 O\n0.847323 0.244283 0.916603 O\n0.652677 0.244283 0.416603 O\n0.347323 0.755717 0.583397 O\n","nsites":28,"nelements":3,"elements":["Yb","Mo","O"],"chemical_system":"Mo-O-Yb","density":5.339289633400046,"density_atomic":0.06449642130942415,"volume":434.13261436117335,"volume_molar":9.337170400677799,"formula_full":"Yb4 Mo4 O20","formula_reduced":"YbMoO5","formula_anonymous":"ABC5","energy":-207.76319009,"energy_per_atom":-7.420113931785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.21519009,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0018668,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.381000Z","spacegroup":14},{"id":"mp-1228290","created_at":"2022-09-04T14:48:30.918340Z","structure_string":"Ba6 Y1 Cu3 O11\n1.0\n0.000000 -4.141413 0.000000\n8.202916 0.000000 -0.000287\n-2.051057 -2.070706 10.788598\nBa Y Cu O\n6 1 3 11\ndirect\n0.500700 0.251990 0.998600 Ba\n0.500546 0.747473 0.998907 Ba\n0.312443 0.342149 0.375115 Ba\n0.312499 0.845727 0.375003 Ba\n0.684085 0.656381 0.631829 Ba\n0.680797 0.161242 0.638405 Ba\n0.904335 0.048079 0.191329 Y\n0.098296 0.949817 0.803408 Cu\n0.095691 0.453314 0.808618 Cu\n0.901357 0.549405 0.197285 Cu\n0.185063 0.410320 0.629873 O\n0.186385 0.904313 0.627229 O\n0.807213 0.596163 0.385573 O\n0.798670 0.100823 0.402661 O\n0.007373 0.497116 0.985253 O\n0.012804 0.992404 0.974393 O\n0.095776 0.199059 0.808448 O\n0.097305 0.704356 0.805390 O\n0.904711 0.771717 0.190579 O\n0.904703 0.323661 0.190595 O\n0.409247 0.044491 0.181506 O\n","nsites":21,"nelements":4,"elements":["Ba","Y","Cu","O"],"chemical_system":"Ba-Cu-O-Y","density":5.797092154483848,"density_atomic":0.05729811910919174,"volume":366.50417721357957,"volume_molar":10.510189258610287,"formula_full":"Ba6 Y1 Cu3 O11","formula_reduced":"Ba6YCu3O11","formula_anonymous":"AB3C6D11","energy":-135.67709867,"energy_per_atom":-6.460814222380952,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.12009867,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5791185,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.323000Z","spacegroup":8},{"id":"mp-753210","created_at":"2022-09-04T14:48:15.503368Z","structure_string":"Fe8 O6 F10\n1.0\n4.822539 0.000000 0.000000\n0.022276 6.200481 0.000000\n0.412796 0.057370 9.625105\nFe O F\n8 6 10\ndirect\n0.015919 0.006015 0.982596 Fe\n0.950789 0.488251 0.011618 Fe\n0.028892 0.001746 0.486867 Fe\n0.989838 0.498552 0.506153 Fe\n0.480106 0.261483 0.257533 Fe\n0.477434 0.740704 0.254882 Fe\n0.536826 0.251785 0.763971 Fe\n0.505351 0.750241 0.746865 Fe\n0.808024 0.260630 0.903935 O\n0.680855 0.502059 0.160126 O\n0.691952 0.502657 0.652669 O\n0.324600 0.000356 0.335270 O\n0.283753 0.501203 0.356451 O\n0.336741 0.996269 0.832215 O\n0.796878 0.258395 0.402632 F\n0.797805 0.742695 0.404422 F\n0.800119 0.734787 0.897623 F\n0.702929 0.994909 0.150431 F\n0.713609 0.999538 0.644162 F\n0.297069 0.504555 0.852887 F\n0.196514 0.741166 0.602413 F\n0.186552 0.736670 0.092244 F\n0.196671 0.260771 0.602307 F\n0.200772 0.264565 0.099731 F\n","nsites":24,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.227587919700973,"density_atomic":0.08338820709109052,"volume":287.8104810885692,"volume_molar":7.221813455494506,"formula_full":"Fe8 O6 F10","formula_reduced":"Fe4O3F5","formula_anonymous":"A3B4C5","energy":-168.03145974999998,"energy_per_atom":-7.001310822916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-141.24145975,"band_gap":1.1787,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":37.9998582,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.310000Z","spacegroup":1},{"id":"mp-1028276","created_at":"2022-09-04T14:48:31.013304Z","structure_string":"K1 Mg14 Sn1\n1.0\n6.480838 0.000000 0.000000\n-3.240419 5.612570 -0.000000\n-0.000000 0.000000 10.861056\nK Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.163636 0.831817 0.125000 Mg\n0.173214 0.836606 0.625000 Mg\n0.668183 0.336364 0.125000 Mg\n0.663394 0.326786 0.625000 Mg\n0.668183 0.831817 0.125000 Mg\n0.663394 0.836606 0.625000 Mg\n0.336762 0.163238 0.367073 Mg\n0.336762 0.163238 0.882927 Mg\n0.336762 0.673526 0.367073 Mg\n0.336762 0.673526 0.882927 Mg\n0.826474 0.163238 0.367073 Mg\n0.826474 0.163238 0.882927 Mg\n0.833333 0.666667 0.381509 Mg\n0.833333 0.666667 0.868491 Mg\n0.166667 0.333333 0.125000 Sn\n","nsites":16,"nelements":3,"elements":["K","Mg","Sn"],"chemical_system":"K-Mg-Sn","density":2.0935422476389585,"density_atomic":0.04049999723062179,"volume":395.06175540926955,"volume_molar":14.869484374795706,"formula_full":"K1 Mg14 Sn1","formula_reduced":"KMg14Sn","formula_anonymous":"ABC14","energy":-26.35474331,"energy_per_atom":-1.647171456875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-26.35474331,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.6e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.303000Z","spacegroup":187},{"id":"mp-1209970","created_at":"2022-09-04T14:48:31.405205Z","structure_string":"Nd8 Ir2\n1.0\n-5.628043 -5.628043 0.000000\n-5.628043 0.000000 -5.628043\n0.000000 -5.628043 -5.628043\nNd Ir\n8 2\ndirect\n0.611827 0.611827 0.611827 Nd\n0.164519 0.611827 0.611827 Nd\n0.611827 0.164519 0.611827 Nd\n0.585481 0.138173 0.138173 Nd\n0.138173 0.138173 0.138173 Nd\n0.611827 0.611827 0.164519 Nd\n0.138173 0.585481 0.138173 Nd\n0.138173 0.138173 0.585481 Nd\n0.000000 0.000000 0.000000 Ir\n0.750000 0.750000 0.750000 Ir\n","nsites":10,"nelements":2,"elements":["Nd","Ir"],"chemical_system":"Ir-Nd","density":7.164859576364942,"density_atomic":0.02804773423130626,"volume":356.53503835750917,"volume_molar":21.471041868609195,"formula_full":"Nd8 Ir2","formula_reduced":"Nd4Ir","formula_anonymous":"AB4","energy":-54.56638193,"energy_per_atom":-5.456638193,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.56638193,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.4032371,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.290000Z","spacegroup":227},{"id":"mp-1008483","created_at":"2022-09-04T14:48:14.770134Z","structure_string":"Cd2 N2\n1.0\n1.673386 -2.898390 0.000000\n1.673386 2.898390 0.000000\n0.000000 0.000000 5.867336\nCd N\n2 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n","nsites":4,"nelements":2,"elements":["Cd","N"],"chemical_system":"Cd-N","density":7.3767160897126125,"density_atomic":0.07028070065213653,"volume":56.91462895053538,"volume_molar":8.56869767108238,"formula_full":"Cd2 N2","formula_reduced":"CdN","formula_anonymous":"AB","energy":-14.67691796,"energy_per_atom":-3.66922949,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.95491796,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9976106,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.224000Z","spacegroup":194},{"id":"mp-1110849","created_at":"2022-09-04T14:48:31.366787Z","structure_string":"K2 Pr1 Ag1 F6\n1.0\n0.000000 4.724764 4.724764\n4.724764 0.000000 4.724764\n4.724764 4.724764 0.000000\nK Pr Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.742011 0.257989 0.257989 F\n0.257989 0.257989 0.742011 F\n0.257989 0.742011 0.742011 F\n0.257989 0.742011 0.257989 F\n0.742011 0.257989 0.742011 F\n0.742011 0.742011 0.257989 F\n","nsites":10,"nelements":4,"elements":["K","Pr","Ag","F"],"chemical_system":"Ag-F-K-Pr","density":3.471208989577904,"density_atomic":0.047405599450502496,"volume":210.94554474395537,"volume_molar":12.703437631429773,"formula_full":"K2 Pr1 Ag1 F6","formula_reduced":"K2PrAgF6","formula_anonymous":"ABC2D6","energy":-52.13621493,"energy_per_atom":-5.213621493,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.36421493,"band_gap":2.5361,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011946,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.217000Z","spacegroup":225},{"id":"mp-4431","created_at":"2022-09-04T14:48:30.997809Z","structure_string":"Ag6 As2 S6\n1.0\n4.456593 -5.382380 0.000000\n4.456593 5.382380 0.000000\n-2.043893 0.000000 6.682346\nAg As S\n6 2 6\ndirect\n0.918307 0.257643 0.472095 Ag\n0.472095 0.918307 0.257643 Ag\n0.257643 0.472095 0.918307 Ag\n0.972095 0.757643 0.418307 Ag\n0.757643 0.418307 0.972095 Ag\n0.418307 0.972095 0.757643 Ag\n0.993997 0.993997 0.993997 As\n0.493997 0.493997 0.493997 As\n0.773764 0.097598 0.767697 S\n0.767697 0.773764 0.097598 S\n0.267697 0.597598 0.273764 S\n0.097598 0.767697 0.773764 S\n0.273764 0.267697 0.597598 S\n0.597598 0.273764 0.267697 S\n","nsites":14,"nelements":3,"elements":["Ag","As","S"],"chemical_system":"Ag-As-S","density":5.12511164070851,"density_atomic":0.04367086068923068,"volume":320.57989650413344,"volume_molar":13.78983758267231,"formula_full":"Ag6 As2 S6","formula_reduced":"Ag3AsS3","formula_anonymous":"AB3C3","energy":-55.52075238,"energy_per_atom":-3.965768027142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.50275238,"band_gap":1.1770999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009002,"is_theoretical":false,"updated_at":"2021-11-28T01:39:58.193000Z","spacegroup":161},{"id":"mp-627405","created_at":"2022-09-04T14:48:31.428326Z","structure_string":"La11 Ni4 Ge6\n1.0\n4.416748 0.000284 -0.000458\n-2.207727 8.944379 -2.624039\n-0.001515 -0.031176 14.283377\nLa Ni Ge\n11 4 6\ndirect\n0.905850 0.810364 0.216010 La\n0.858891 0.712199 0.649252 La\n0.214745 0.431556 0.100206 La\n0.548240 0.097006 0.125883 La\n0.336815 0.677762 0.407614 La\n0.452839 0.903047 0.875025 La\n0.000531 0.999458 0.500639 La\n0.143959 0.287823 0.352104 La\n0.784580 0.568693 0.900290 La\n0.662104 0.322380 0.592877 La\n0.093870 0.188056 0.785596 La\n0.750514 0.506923 0.450736 Ni\n0.940009 0.878290 0.024630 Ni\n0.060367 0.119297 0.976599 Ni\n0.248181 0.496128 0.550780 Ni\n0.627801 0.255941 0.952487 Ge\n0.262335 0.522107 0.734250 Ge\n0.736405 0.476293 0.266540 Ge\n0.372632 0.744092 0.048752 Ge\n0.515381 0.028099 0.350566 Ge\n0.486544 0.971534 0.650689 Ge\n","nsites":21,"nelements":3,"elements":["La","Ni","Ge"],"chemical_system":"Ge-La-Ni","density":6.474075231376031,"density_atomic":0.037239761998099204,"volume":563.9133784225551,"volume_molar":16.17126543479892,"formula_full":"La11 Ni4 Ge6","formula_reduced":"La11(Ni2Ge3)2","formula_anonymous":"A4B6C11","energy":-119.46766231,"energy_per_atom":-5.688936300476191,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-119.46766231,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0167647,"is_theoretical":false,"updated_at":"2021-11-28T01:39:58.133000Z","spacegroup":12},{"id":"mp-1214519","created_at":"2022-09-04T14:48:14.740700Z","structure_string":"Ba12 Y4 Al8 O30\n1.0\n5.970117 0.000000 0.000000\n0.000000 7.953987 0.000000\n0.000000 0.549642 18.551198\nBa Y Al O\n12 4 8 30\ndirect\n0.758221 0.501990 0.082346 Ba\n0.241779 0.498010 0.917654 Ba\n0.758221 0.498010 0.417654 Ba\n0.241779 0.501990 0.582346 Ba\n0.745359 0.969372 0.089527 Ba\n0.254641 0.030628 0.910473 Ba\n0.745359 0.030628 0.410473 Ba\n0.254641 0.969372 0.589527 Ba\n0.726048 0.000000 0.750000 Ba\n0.273952 0.000000 0.250000 Ba\n0.670584 0.500000 0.750000 Ba\n0.329416 0.500000 0.250000 Ba\n0.746881 0.751754 0.910338 Y\n0.253119 0.248246 0.089662 Y\n0.746881 0.248246 0.589662 Y\n0.253119 0.751754 0.410338 Y\n0.749373 0.752294 0.555906 Al\n0.250627 0.247706 0.444094 Al\n0.749373 0.247706 0.944094 Al\n0.250627 0.752294 0.055906 Al\n0.771176 0.779689 0.267995 Al\n0.228824 0.220311 0.732005 Al\n0.771176 0.220311 0.232005 Al\n0.228824 0.779689 0.767995 Al\n0.208852 0.000000 0.750000 O\n0.791148 0.000000 0.250000 O\n0.497588 0.763949 0.000713 O\n0.502412 0.236051 0.999287 O\n0.497588 0.236051 0.499287 O\n0.502412 0.763949 0.500713 O\n0.760162 0.942930 0.606000 O\n0.239838 0.057070 0.394000 O\n0.760162 0.057070 0.894000 O\n0.239838 0.942930 0.106000 O\n0.012442 0.762161 0.995843 O\n0.987558 0.237839 0.004157 O\n0.012442 0.237839 0.504157 O\n0.987558 0.762161 0.495843 O\n0.313909 0.692510 0.687024 O\n0.686091 0.307490 0.312976 O\n0.313909 0.307490 0.812976 O\n0.686091 0.692510 0.187024 O\n0.450484 0.753397 0.833016 O\n0.549516 0.246603 0.166984 O\n0.450484 0.246603 0.666984 O\n0.549516 0.753397 0.333016 O\n0.971219 0.729788 0.811374 O\n0.028781 0.270212 0.188626 O\n0.971219 0.270212 0.688626 O\n0.028781 0.729788 0.311374 O\n0.753717 0.540077 0.592205 O\n0.246283 0.459923 0.407795 O\n0.753717 0.459923 0.907795 O\n0.246283 0.540077 0.092205 O\n","nsites":54,"nelements":4,"elements":["Ba","Y","Al","O"],"chemical_system":"Al-Ba-O-Y","density":5.088311826570621,"density_atomic":0.06129909741545926,"volume":880.9265107773272,"volume_molar":9.824191568734669,"formula_full":"Ba12 Y4 Al8 O30","formula_reduced":"Ba6Y2Al4O15","formula_anonymous":"A2B4C6D15","energy":-411.30499342,"energy_per_atom":-7.616759137407407,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-390.69499342,"band_gap":3.9211,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001729,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.133000Z","spacegroup":13},{"id":"mp-1027759","created_at":"2022-09-04T14:48:29.683920Z","structure_string":"Te2 Mo2 W2 Se2 S4\n1.0\n1.655498 -2.867407 0.000000\n1.655498 2.867407 0.000000\n0.000000 0.000000 37.740178\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333333 0.666667 0.418631 Te\n0.333333 0.666667 0.520480 Te\n0.000000 0.000000 0.093946 Mo\n0.333333 0.666667 0.281771 Mo\n0.000000 0.000000 0.469560 W\n0.333333 0.666667 0.657659 W\n0.000000 0.000000 0.702370 Se\n0.000000 0.000000 0.612936 Se\n0.000000 0.000000 0.322228 S\n0.333333 0.666667 0.053447 S\n0.333333 0.666667 0.134419 S\n0.000000 0.000000 0.241302 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.102239106901709,"density_atomic":0.03349109172549694,"volume":358.30423499943237,"volume_molar":17.981321150589167,"formula_full":"Te2 Mo2 W2 Se2 S4","formula_reduced":"TeMoWSeS2","formula_anonymous":"ABCDE2","energy":-86.84238536000001,"energy_per_atom":-7.236865446666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.88638536,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004121,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.102000Z","spacegroup":156}]}