{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12193","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12191","results":[{"id":"mp-866152","created_at":"2022-09-04T14:47:28.943715Z","structure_string":"Ti1 Be1 Co2\n1.0\n0.000000 2.795679 2.795679\n2.795679 0.000000 2.795679\n2.795679 2.795679 0.000000\nTi Be Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Be\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n","nsites":4,"nelements":3,"elements":["Ti","Be","Co"],"chemical_system":"Be-Co-Ti","density":6.639927979731838,"density_atomic":0.09153097382982858,"volume":43.70105367213365,"volume_molar":6.579347414347594,"formula_full":"Ti1 Be1 Co2","formula_reduced":"TiBeCo2","formula_anonymous":"ABC2","energy":-27.58978223,"energy_per_atom":-6.8974455575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.58978223,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027076,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.504000Z","spacegroup":225},{"id":"mp-1033832","created_at":"2022-09-04T14:47:28.962216Z","structure_string":"Mg14 Nb1 Bi1 O16\n1.0\n8.746971 -0.000000 0.000000\n-0.000000 8.746971 0.000000\n0.000000 -0.000000 4.491030\nMg Nb Bi O\n14 1 1 16\ndirect\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.251812 0.500000 Mg\n-0.000000 0.748188 0.500000 Mg\n0.500000 0.237428 0.500000 Mg\n0.500000 0.762572 0.500000 Mg\n0.251812 -0.000000 0.500000 Mg\n0.237428 0.500000 0.500000 Mg\n0.748188 -0.000000 0.500000 Mg\n0.762572 0.500000 0.500000 Mg\n0.244095 0.244095 0.000000 Mg\n0.244095 0.755905 -0.000000 Mg\n0.755905 0.244095 0.000000 Mg\n0.755905 0.755905 -0.000000 Mg\n-0.000000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Bi\n0.260569 -0.000000 0.000000 O\n0.230945 0.500000 0.000000 O\n0.739431 0.000000 -0.000000 O\n0.769055 0.500000 -0.000000 O\n0.250969 0.250969 0.500000 O\n0.250969 0.749031 0.500000 O\n0.749031 0.250969 0.500000 O\n0.749031 0.749031 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.260569 -0.000000 O\n-0.000000 0.739431 0.000000 O\n0.500000 0.230945 0.000000 O\n0.500000 0.769055 -0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Nb","Bi","O"],"chemical_system":"Bi-Mg-Nb-O","density":4.340455206319324,"density_atomic":0.0931297954046697,"volume":343.6064673067612,"volume_molar":6.46639535052392,"formula_full":"Mg14 Nb1 Bi1 O16","formula_reduced":"Mg14NbBiO16","formula_anonymous":"ABC14D16","energy":-200.01512317,"energy_per_atom":-6.2504725990625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-189.02312317,"band_gap":1.1112000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.7185051,"is_theoretical":true,"updated_at":"2021-11-28T01:38:08.308000Z","spacegroup":123},{"id":"mp-1197731","created_at":"2022-09-04T14:47:28.918766Z","structure_string":"Np2 B16 O34\n1.0\n-6.499133 0.000000 0.000000\n-3.249566 -8.556374 0.000000\n-0.072474 0.000000 11.094123\nNp B O\n2 16 34\ndirect\n0.010181 0.463832 0.753338 Np\n0.474013 0.536168 0.253338 Np\n0.492237 0.399215 0.688770 B\n0.891452 0.600785 0.188770 B\n0.205751 0.462820 0.051246 B\n0.668571 0.537180 0.551246 B\n0.860433 0.406278 0.016690 B\n0.266711 0.593722 0.516690 B\n0.544509 0.386367 0.916319 B\n0.930876 0.613633 0.416319 B\n0.847025 0.116301 0.003907 B\n0.963326 0.883699 0.503907 B\n0.748801 0.144265 0.587292 B\n0.893067 0.855735 0.087292 B\n0.123883 0.877083 0.925934 B\n0.000966 0.122917 0.425934 B\n0.406307 0.886891 0.788103 B\n0.293198 0.113109 0.288103 B\n0.870057 0.544177 0.527388 O\n0.414235 0.455823 0.027388 O\n0.072433 0.420053 0.973806 O\n0.492486 0.579947 0.473806 O\n0.096306 0.261782 0.725801 O\n0.358088 0.738218 0.225801 O\n0.639205 0.216216 0.940673 O\n0.855422 0.783784 0.440673 O\n0.401920 0.424277 0.812007 O\n0.826197 0.575723 0.312007 O\n0.651240 0.484393 0.666847 O\n0.135633 0.515607 0.166847 O\n0.285416 0.479942 0.617948 O\n0.765358 0.520058 0.117948 O\n0.728630 0.446173 0.906640 O\n0.174804 0.553827 0.406640 O\n0.816499 0.985006 0.591437 O\n0.801506 0.014994 0.091437 O\n0.911924 0.666235 0.780500 O\n0.578159 0.333765 0.280500 O\n0.591474 0.236562 0.664040 O\n0.828036 0.763438 0.164040 O\n0.881280 0.251813 0.062196 O\n0.133093 0.748187 0.562196 O\n0.059458 0.782531 0.003105 O\n0.841990 0.217469 0.503105 O\n0.303184 0.805984 0.853105 O\n0.109168 0.194016 0.353105 O\n0.018734 0.035631 0.919548 O\n0.054365 0.964369 0.419548 O\n0.451489 0.876416 0.667861 O\n0.327905 0.123584 0.167861 O\n0.506739 0.985838 0.829219 O\n0.492577 0.014162 0.329219 O\n","nsites":52,"nelements":3,"elements":["Np","B","O"],"chemical_system":"B-Np-O","density":3.2055791732085734,"density_atomic":0.08428789018356335,"volume":616.9332259563464,"volume_molar":7.144728319673084,"formula_full":"Np2 B16 O34","formula_reduced":"NpB8O17","formula_anonymous":"AB8C17","energy":-432.05429999000006,"energy_per_atom":-8.308736538269232,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-408.69629999,"band_gap":0.1041,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.3752515,"is_theoretical":false,"updated_at":"2021-11-28T01:38:13.985000Z","spacegroup":9},{"id":"mp-1209303","created_at":"2022-09-04T14:47:28.921640Z","structure_string":"Rb1 Al1 S2 O8\n1.0\n-2.471020 -4.279932 0.000000\n-2.471020 4.279932 0.000000\n0.000000 0.000000 -8.424413\nRb Al S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.801482 S\n0.333333 0.666667 0.198518 S\n0.878764 0.223390 0.860686 O\n0.344625 0.121236 0.860686 O\n0.655375 0.776610 0.139314 O\n0.776610 0.655375 0.860686 O\n0.223390 0.878764 0.139314 O\n0.121236 0.344625 0.139314 O\n0.666667 0.333333 0.628387 O\n0.333333 0.666667 0.371613 O\n","nsites":12,"nelements":4,"elements":["Rb","Al","S","O"],"chemical_system":"Al-O-Rb-S","density":2.8383105904339665,"density_atomic":0.06734393221705341,"volume":178.18977307893607,"volume_molar":8.942365795615098,"formula_full":"Rb1 Al1 S2 O8","formula_reduced":"RbAl(SO4)2","formula_anonymous":"ABC2D8","energy":-80.42682309,"energy_per_atom":-6.7022352575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.93082309,"band_gap":5.4928,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000243,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.829000Z","spacegroup":150},{"id":"mp-11106","created_at":"2022-09-04T14:47:28.926557Z","structure_string":"Pa2 As4\n1.0\n4.018450 0.000000 0.000000\n0.000000 4.018450 0.000000\n0.000000 0.000000 8.172042\nPa As\n2 4\ndirect\n0.000000 0.500000 0.280694 Pa\n0.500000 0.000000 0.719306 Pa\n0.000000 0.500000 0.641069 As\n0.500000 0.000000 0.358931 As\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n","nsites":6,"nelements":2,"elements":["Pa","As"],"chemical_system":"As-Pa","density":9.585581954958398,"density_atomic":0.0454677561859456,"volume":131.96164718272686,"volume_molar":13.24486023759731,"formula_full":"Pa2 As4","formula_reduced":"PaAs2","formula_anonymous":"AB2","energy":-43.1981377,"energy_per_atom":-7.199689616666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.1981377,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0098001,"is_theoretical":false,"updated_at":"2021-11-28T01:38:11.505000Z","spacegroup":129},{"id":"mp-22032","created_at":"2022-09-04T14:47:28.931232Z","structure_string":"Tb3 In3 Ir3\n1.0\n3.764044 -6.519516 0.000000\n3.764044 6.519516 0.000000\n0.000000 0.000000 3.989684\nTb In Ir\n3 3 3\ndirect\n0.406402 0.406402 0.000000 Tb\n0.593598 0.000000 0.000000 Tb\n0.000000 0.593598 0.000000 Tb\n0.000000 0.256318 0.500000 In\n0.743682 0.743682 0.500000 In\n0.256318 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 Ir\n0.666667 0.333333 0.500000 Ir\n","nsites":9,"nelements":3,"elements":["Tb","In","Ir"],"chemical_system":"In-Ir-Tb","density":11.854432641053405,"density_atomic":0.04596253437810708,"volume":195.81165664108568,"volume_molar":13.102281763793407,"formula_full":"Tb3 In3 Ir3","formula_reduced":"TbInIr","formula_anonymous":"ABC","energy":-54.99105015,"energy_per_atom":-6.110116683333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.99105015,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018693,"is_theoretical":false,"updated_at":"2021-11-28T01:38:12.806000Z","spacegroup":189},{"id":"mp-672191","created_at":"2022-09-04T14:47:28.933663Z","structure_string":"Ce1 In1 Ag2\n1.0\n0.000000 3.571315 3.571315\n3.571315 0.000000 3.571315\n3.571315 3.571315 0.000000\nCe In Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n","nsites":4,"nelements":3,"elements":["Ce","In","Ag"],"chemical_system":"Ag-Ce-In","density":8.57929329408748,"density_atomic":0.04390818870799901,"volume":91.09918030554735,"volume_molar":13.715302173015647,"formula_full":"Ce1 In1 Ag2","formula_reduced":"CeInAg2","formula_anonymous":"ABC2","energy":-15.45051974,"energy_per_atom":-3.862629935,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.45051974,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.8614497,"is_theoretical":false,"updated_at":"2021-11-28T01:38:10.823000Z","spacegroup":225},{"id":"mp-1181467","created_at":"2022-09-04T14:47:28.938885Z","structure_string":"Fe1 S6 N9 O18\n1.0\n-7.263329 0.000000 0.000000\n0.443179 10.686115 0.000000\n-0.168535 -5.329051 -9.728559\nFe S N O\n1 6 9 18\ndirect\n0.000000 0.000000 0.000000 Fe\n0.797480 0.019050 0.712010 S\n0.840356 0.691709 0.974787 S\n0.793952 0.289476 0.306419 S\n0.202520 0.980950 0.287990 S\n0.159644 0.308291 0.025213 S\n0.206048 0.710524 0.693581 S\n0.650207 0.658328 0.616628 N\n0.652721 0.951192 0.337489 N\n0.652676 0.385615 0.045965 N\n0.349793 0.341672 0.383372 N\n0.347279 0.048808 0.662511 N\n0.347324 0.614385 0.954035 N\n0.015605 0.666613 0.332694 N\n0.984395 0.333387 0.667306 N\n0.500000 0.000000 0.000000 N\n0.816948 0.908530 0.572836 O\n0.800267 0.678753 0.098205 O\n0.813171 0.435646 0.337136 O\n0.183052 0.091470 0.427164 O\n0.199733 0.321247 0.901795 O\n0.186829 0.564354 0.662864 O\n0.743220 0.159355 0.746525 O\n0.731586 0.604667 0.849402 O\n0.743310 0.249374 0.408894 O\n0.256780 0.840645 0.253475 O\n0.268414 0.395333 0.150598 O\n0.256690 0.750626 0.591106 O\n0.831628 0.984392 0.820379 O\n0.844129 0.851732 0.011277 O\n0.827846 0.179022 0.167954 O\n0.168372 0.015608 0.179621 O\n0.155871 0.148268 0.988723 O\n0.172154 0.820978 0.832046 O\n","nsites":34,"nelements":4,"elements":["Fe","S","N","O"],"chemical_system":"Fe-N-O-S","density":1.456429984237283,"density_atomic":0.04502718948677575,"volume":755.0993163805089,"volume_molar":13.374454032421173,"formula_full":"Fe1 S6 N9 O18","formula_reduced":"FeS6(NO2)9","formula_anonymous":"AB6C9D18","energy":-186.51592809,"energy_per_atom":-5.485762590882352,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.89392809,"band_gap":0.1991,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.0083456,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.647000Z","spacegroup":2},{"id":"mp-1103144","created_at":"2022-09-04T14:47:28.942731Z","structure_string":"C2 Br2 N6 O2\n1.0\n0.000000 5.404259 0.000000\n0.679085 0.000000 6.939403\n6.342047 0.000000 -1.226401\nC Br N O\n2 2 6 2\ndirect\n0.250840 0.723249 0.852587 C\n0.750840 0.276751 0.147413 C\n0.765690 0.225875 0.774286 Br\n0.265690 0.774125 0.225714 Br\n0.127307 0.868718 0.969692 N\n0.627307 0.131282 0.030308 N\n0.390129 0.614069 0.978235 N\n0.890129 0.385931 0.021765 N\n0.725634 0.762383 0.475158 N\n0.225634 0.237617 0.524842 N\n0.241400 0.694102 0.659143 O\n0.741400 0.305898 0.340857 O\n","nsites":12,"nelements":4,"elements":["C","Br","N","O"],"chemical_system":"Br-C-N-O","density":2.054709524245836,"density_atomic":0.0495167212558462,"volume":242.34237840582423,"volume_molar":12.16183262394215,"formula_full":"C2 Br2 N6 O2","formula_reduced":"CBrN3O","formula_anonymous":"ABCD3","energy":-66.71322921000001,"energy_per_atom":-5.559435767500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.17322921,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9994732,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.905000Z","spacegroup":4},{"id":"mp-1193560","created_at":"2022-09-04T14:47:28.953519Z","structure_string":"Nb2 Pb4 Se4 Cl2 O16\n1.0\n5.504001 0.000000 0.000000\n0.000000 8.757760 0.000000\n0.000000 4.169096 10.176901\nNb Pb Se Cl O\n2 4 4 2 16\ndirect\n0.483039 0.341168 0.067615 Nb\n0.983039 0.658832 0.932385 Nb\n0.933363 0.185322 0.796181 Pb\n0.433363 0.814678 0.203819 Pb\n0.977482 0.691532 0.517274 Pb\n0.477482 0.308468 0.482726 Pb\n0.484484 0.883064 0.798444 Se\n0.984484 0.116936 0.201556 Se\n0.489058 0.484059 0.726721 Se\n0.989058 0.515941 0.273279 Se\n0.004525 0.138861 0.547764 Cl\n0.504525 0.861139 0.452236 Cl\n0.697769 0.825318 0.928736 O\n0.197769 0.174682 0.071264 O\n0.212909 0.876162 0.884148 O\n0.712909 0.123838 0.115852 O\n0.536045 0.089425 0.734188 O\n0.036045 0.910575 0.265812 O\n0.714233 0.439438 0.630843 O\n0.214233 0.560562 0.369157 O\n0.236505 0.420972 0.664479 O\n0.736505 0.579028 0.335521 O\n0.553790 0.319203 0.871118 O\n0.053790 0.680797 0.128882 O\n0.289040 0.531086 0.963506 O\n0.789040 0.468914 0.036494 O\n0.423137 0.326852 0.233125 O\n0.923137 0.673148 0.766875 O\n","nsites":28,"nelements":5,"elements":["Nb","Pb","Se","Cl","O"],"chemical_system":"Cl-Nb-O-Pb-Se","density":5.610169936645304,"density_atomic":0.05707828793389954,"volume":490.55430731254353,"volume_molar":10.550668175215838,"formula_full":"Nb2 Pb4 Se4 Cl2 O16","formula_reduced":"NbPb2Se2ClO8","formula_anonymous":"ABC2D2E8","energy":-183.79564178,"energy_per_atom":-6.564130063571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-171.57564178,"band_gap":2.3641000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014072,"is_theoretical":false,"updated_at":"2021-11-28T01:38:09.820000Z","spacegroup":4},{"id":"mp-1227541","created_at":"2022-09-04T14:47:28.967368Z","structure_string":"Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n","nsites":1,"nelements":1,"elements":["Ca"],"chemical_system":"Ca","density":0.22762757150769555,"density_atomic":0.003420343522506185,"volume":292.3682938336179,"volume_molar":176.06830192270866,"formula_full":"Ca1","formula_reduced":"Ca","formula_anonymous":"A","energy":-1.03268839,"energy_per_atom":-1.03268839,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.03268839,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005871,"is_theoretical":true,"updated_at":"2021-11-28T01:38:09.019000Z","spacegroup":123},{"id":"mp-1221575","created_at":"2022-09-04T14:47:28.947571Z","structure_string":"Mn4 Zn16 O20\n1.0\n-1.660651 -2.877534 -0.000699\n1.656697 -2.881918 -26.832455\n4.957800 -2.863506 -0.002659\nMn Zn O\n4 16 20\ndirect\n0.451594 0.098174 0.117069 Mn\n0.348806 0.301122 0.015761 Mn\n0.951731 0.098175 0.617084 Mn\n0.848663 0.301115 0.515789 Mn\n0.249282 0.501172 0.916612 Zn\n0.749283 0.501172 0.416614 Zn\n0.150112 0.699490 0.817366 Zn\n0.650051 0.699491 0.317347 Zn\n0.050763 0.897796 0.718088 Zn\n0.550764 0.897797 0.218086 Zn\n0.900683 0.199609 0.233284 Zn\n0.400679 0.199616 0.733287 Zn\n0.797989 0.402857 0.131536 Zn\n0.297986 0.402855 0.631541 Zn\n0.700382 0.600109 0.032933 Zn\n0.200383 0.600109 0.532934 Zn\n0.600283 0.798816 0.933588 Zn\n0.100282 0.798811 0.433597 Zn\n0.501798 0.996196 0.834728 Zn\n0.001800 0.996195 0.334753 Zn\n0.489720 0.019829 0.156907 O\n0.989715 0.019838 0.656902 O\n0.389132 0.222821 0.055518 O\n0.889130 0.222825 0.555511 O\n0.286478 0.426133 0.953985 O\n0.786470 0.426134 0.453989 O\n0.189484 0.624038 0.855110 O\n0.689480 0.624039 0.355102 O\n0.088534 0.822639 0.755877 O\n0.588524 0.822639 0.255881 O\n0.938774 0.125371 0.271094 O\n0.438870 0.125378 0.771115 O\n0.835209 0.328311 0.169833 O\n0.335137 0.328320 0.669854 O\n0.737355 0.524748 0.070809 O\n0.237352 0.524748 0.570812 O\n0.638096 0.723474 0.971046 O\n0.138043 0.723459 0.471081 O\n0.538592 0.921291 0.871788 O\n0.038591 0.921291 0.371790 O\n","nsites":40,"nelements":3,"elements":["Mn","Zn","O"],"chemical_system":"Mn-O-Zn","density":5.161212075922678,"density_atomic":0.07837573119883044,"volume":510.3620647381839,"volume_molar":7.68368048104394,"formula_full":"Mn4 Zn16 O20","formula_reduced":"MnZn4O5","formula_anonymous":"AB4C5","energy":-228.59472545,"energy_per_atom":-5.71486813625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-208.18272545,"band_gap":0.0392000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0051552,"is_theoretical":true,"updated_at":"2021-11-28T01:38:11.838000Z","spacegroup":156}]}