{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=19","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy&page=17","results":[{"id":"mp-1030515","created_at":"2022-09-04T14:43:14.183991Z","structure_string":"Te2 Mo2 W2 Se4 S2\n1.0\n1.670353 -2.893136 0.000000\n1.670353 2.893136 0.000000\n0.000000 0.000000 38.077486\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333333 0.666667 0.419841 Te\n0.333333 0.666667 0.519433 Te\n0.000000 0.000000 0.093923 Mo\n0.000000 0.000000 0.469636 Mo\n0.333333 0.666667 0.281796 W\n0.333333 0.666667 0.657575 W\n0.000000 0.000000 0.701545 Se\n0.333333 0.666667 0.050128 Se\n0.333333 0.666667 0.137708 Se\n0.000000 0.000000 0.613574 Se\n0.000000 0.000000 0.321799 S\n0.000000 0.000000 0.241790 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.3906792658835165,"density_atomic":0.032606626778317445,"volume":368.02334941250916,"volume_molar":18.469070109406612,"formula_full":"Te2 Mo2 W2 Se4 S2","formula_reduced":"TeMoWSe2S","formula_anonymous":"ABCDE2","energy":-86.35640383,"energy_per_atom":-7.1963669858333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.61840383,"band_gap":2.0502,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0042333,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.452000Z","spacegroup":156},{"id":"mp-561224","created_at":"2022-09-04T14:43:14.185408Z","structure_string":"Te4 O8\n1.0\n4.893432 0.000000 0.000000\n0.000000 5.043837 0.000000\n0.000000 0.000000 7.648556\nTe O\n4 8\ndirect\n0.714410 0.530575 0.378185 Te\n0.285590 0.030575 0.121815 Te\n0.214410 0.969425 0.621815 Te\n0.785590 0.469425 0.878185 Te\n0.529450 0.133749 0.938770 O\n0.029450 0.366251 0.061230 O\n0.406970 0.235000 0.317644 O\n0.470550 0.633749 0.561230 O\n0.970550 0.866251 0.438770 O\n0.093030 0.765000 0.817644 O\n0.593030 0.735000 0.182356 O\n0.906970 0.265000 0.682356 O\n","nsites":12,"nelements":2,"elements":["Te","O"],"chemical_system":"O-Te","density":5.615451217493432,"density_atomic":0.06356633823251541,"volume":188.77916100980892,"volume_molar":9.473789001298108,"formula_full":"Te4 O8","formula_reduced":"TeO2","formula_anonymous":"AB2","energy":-69.94254554,"energy_per_atom":-5.828545461666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.44654554,"band_gap":2.8519,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:06.769000Z","spacegroup":19},{"id":"mp-1247348","created_at":"2022-09-04T14:43:14.185966Z","structure_string":"Sr10 Rh4 N12\n1.0\n6.309890 -0.133467 -0.097776\n-3.677362 5.869522 0.000000\n-2.290745 -1.435193 12.970600\nSr Rh N\n10 4 12\ndirect\n0.115205 0.796886 0.998651 Sr\n0.884795 0.681681 0.501349 Sr\n0.884795 0.203114 0.001349 Sr\n0.115205 0.318319 0.498651 Sr\n0.320055 0.050004 0.722613 Sr\n0.679945 0.729949 0.777387 Sr\n0.679945 0.949996 0.277387 Sr\n0.320055 0.270051 0.222613 Sr\n0.000000 0.369242 0.750000 Sr\n0.000000 0.630758 0.250000 Sr\n0.537157 0.855983 0.557801 Rh\n0.462843 0.318827 0.942199 Rh\n0.462843 0.144017 0.442199 Rh\n0.537157 0.681173 0.057801 Rh\n0.897155 0.990526 0.626860 N\n0.102845 0.093370 0.873140 N\n0.102845 0.009474 0.373140 N\n0.897155 0.906630 0.126860 N\n0.286018 0.679830 0.644262 N\n0.713982 0.393812 0.855738 N\n0.713982 0.320170 0.355738 N\n0.286018 0.606188 0.144262 N\n0.583964 0.251599 0.580854 N\n0.416036 0.667635 0.919146 N\n0.416036 0.748401 0.419146 N\n0.583964 0.332365 0.080854 N\n","nsites":26,"nelements":3,"elements":["Sr","Rh","N"],"chemical_system":"N-Rh-Sr","density":5.120013558217705,"density_atomic":0.05506340954827205,"volume":472.1828926559072,"volume_molar":10.936737861684012,"formula_full":"Sr10 Rh4 N12","formula_reduced":"Sr5(RhN3)2","formula_anonymous":"A2B5C6","energy":-159.07987027,"energy_per_atom":-6.1184565488461535,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-154.74787027,"band_gap":0.0203999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016981,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.335000Z","spacegroup":15},{"id":"mp-11213","created_at":"2022-09-04T14:43:14.204079Z","structure_string":"Ba2 Ag2 Sb2\n1.0\n2.879630 -4.987666 0.000000\n2.879630 4.987666 0.000000\n0.000000 0.000000 6.950222\nBa Ag Sb\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n","nsites":6,"nelements":3,"elements":["Ba","Ag","Sb"],"chemical_system":"Ag-Ba-Sb","density":6.104209274888849,"density_atomic":0.030053048024321603,"volume":199.64697075465577,"volume_molar":20.038369336535677,"formula_full":"Ba2 Ag2 Sb2","formula_reduced":"BaAgSb","formula_anonymous":"ABC","energy":-20.23191095,"energy_per_atom":-3.371985158333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.84791095,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000734,"is_theoretical":true,"updated_at":"2021-11-28T01:36:09.632000Z","spacegroup":194},{"id":"mp-5558","created_at":"2022-09-04T14:43:14.204109Z","structure_string":"Na2 Re2 O8\n1.0\n-2.755117 2.755117 5.924116\n2.755117 -2.755117 5.924116\n2.755117 2.755117 -5.924116\nNa Re O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.750000 0.250000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.957870 0.314855 0.104585 O\n0.603285 0.207870 0.143015 O\n0.064855 0.460270 0.856985 O\n0.210270 0.853285 0.895415 O\n0.539730 0.396715 0.604585 O\n0.685145 0.789730 0.643015 O\n0.146715 0.042130 0.356985 O\n0.792130 0.935145 0.395415 O\n","nsites":12,"nelements":3,"elements":["Na","Re","O"],"chemical_system":"Na-O-Re","density":5.0441407783773275,"density_atomic":0.06671409635095765,"volume":179.87203089542777,"volume_molar":9.026789073661124,"formula_full":"Na2 Re2 O8","formula_reduced":"NaReO4","formula_anonymous":"ABC4","energy":-94.35736258,"energy_per_atom":-7.863113548333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.86136258,"band_gap":3.6152,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.12e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.894000Z","spacegroup":88},{"id":"mp-861662","created_at":"2022-09-04T14:43:14.213389Z","structure_string":"Ca1 Zr1 Rh2\n1.0\n0.000000 3.343261 3.343261\n3.343261 0.000000 3.343261\n3.343261 3.343261 0.000000\nCa Zr Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Ca","Zr","Rh"],"chemical_system":"Ca-Rh-Zr","density":7.4900334224659515,"density_atomic":0.05352037516533884,"volume":74.73789164674058,"volume_molar":11.252052590057499,"formula_full":"Ca1 Zr1 Rh2","formula_reduced":"CaZrRh2","formula_anonymous":"ABC2","energy":-27.56025527,"energy_per_atom":-6.8900638175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.56025527,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.861000Z","spacegroup":225},{"id":"mp-1087539","created_at":"2022-09-04T14:45:12.414818Z","structure_string":"Er2 Fe2 Ge4\n1.0\n2.071533 -8.277398 0.000000\n2.071533 8.277398 0.000000\n0.000000 0.000000 4.194757\nEr Fe Ge\n2 2 4\ndirect\n0.890613 0.109387 0.250000 Er\n0.109387 0.890613 0.750000 Er\n0.681167 0.318833 0.250000 Fe\n0.318833 0.681167 0.750000 Fe\n0.544657 0.455343 0.250000 Ge\n0.455343 0.544657 0.750000 Ge\n0.250831 0.749169 0.250000 Ge\n0.749169 0.250831 0.750000 Ge\n","nsites":8,"nelements":3,"elements":["Er","Fe","Ge"],"chemical_system":"Er-Fe-Ge","density":8.504667820494847,"density_atomic":0.055611868864838473,"volume":143.85418370750227,"volume_molar":10.828876790018466,"formula_full":"Er2 Fe2 Ge4","formula_reduced":"ErFeGe2","formula_anonymous":"ABC2","energy":-48.04133152,"energy_per_atom":-6.00516644,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.04133152,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0190041,"is_theoretical":false,"updated_at":"2021-11-28T01:36:56.252000Z","spacegroup":63},{"id":"mp-8601","created_at":"2022-09-04T14:45:12.415631Z","structure_string":"Te8 Mo6\n1.0\n4.983060 -5.170893 0.000000\n4.983060 5.170893 0.000000\n-0.382745 0.000000 7.170950\nTe Mo\n8 6\ndirect\n0.714457 0.714457 0.714457 Te\n0.285543 0.285543 0.285543 Te\n0.758569 0.117970 0.381905 Te\n0.381905 0.758569 0.117970 Te\n0.117970 0.381905 0.758569 Te\n0.241431 0.882030 0.618095 Te\n0.618095 0.241431 0.882030 Te\n0.882030 0.618095 0.241431 Te\n0.919049 0.046761 0.746168 Mo\n0.746168 0.919049 0.046761 Mo\n0.046761 0.746168 0.919049 Mo\n0.080951 0.953239 0.253832 Mo\n0.253832 0.080951 0.953239 Mo\n0.953239 0.253832 0.080951 Mo\n","nsites":14,"nelements":2,"elements":["Te","Mo"],"chemical_system":"Mo-Te","density":7.173536967277204,"density_atomic":0.037884335853843674,"volume":369.54587389393515,"volume_molar":15.896123356189195,"formula_full":"Te8 Mo6","formula_reduced":"Te4Mo3","formula_anonymous":"A3B4","energy":-97.13758534,"energy_per_atom":-6.938398952857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.76158534,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010503,"is_theoretical":false,"updated_at":"2021-11-28T01:36:52.334000Z","spacegroup":148},{"id":"mp-1209566","created_at":"2022-09-04T14:43:14.186294Z","structure_string":"Pr2 Ta14 O38\n1.0\n3.148515 -5.453388 0.000000\n3.148515 5.453388 0.000000\n0.000000 0.000000 20.155009\nPr Ta O\n2 14 38\ndirect\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.689908 0.024862 0.155825 Ta\n0.975138 0.665046 0.155825 Ta\n0.689908 0.024862 0.344175 Ta\n0.689908 0.665046 0.655825 Ta\n0.334954 0.310092 0.155825 Ta\n0.975138 0.665046 0.344175 Ta\n0.975138 0.310092 0.655825 Ta\n0.689908 0.665046 0.844175 Ta\n0.334954 0.310092 0.344175 Ta\n0.975138 0.310092 0.844175 Ta\n0.334954 0.024862 0.655825 Ta\n0.334954 0.024862 0.844175 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.749141 0.042094 0.250000 O\n0.957906 0.707046 0.250000 O\n0.749141 0.707046 0.750000 O\n0.292954 0.250859 0.250000 O\n0.957906 0.250859 0.750000 O\n0.292954 0.042094 0.750000 O\n0.089849 0.422783 0.153507 O\n0.577217 0.667066 0.153507 O\n0.089849 0.422783 0.346493 O\n0.089849 0.667066 0.653507 O\n0.332934 0.910151 0.153507 O\n0.577217 0.667066 0.346493 O\n0.577217 0.910151 0.653507 O\n0.089849 0.667066 0.846493 O\n0.332934 0.910151 0.346493 O\n0.577217 0.910151 0.846493 O\n0.332934 0.422783 0.653507 O\n0.332934 0.422783 0.846493 O\n0.666667 0.333333 0.166498 O\n0.666667 0.333333 0.333502 O\n0.666667 0.333333 0.666498 O\n0.666667 0.333333 0.833502 O\n0.000000 0.000000 0.131627 O\n0.000000 0.000000 0.368373 O\n0.000000 0.000000 0.631627 O\n0.000000 0.000000 0.868373 O\n0.710232 0.096793 0.056889 O\n0.903207 0.613439 0.056889 O\n0.710232 0.096793 0.443111 O\n0.710232 0.613439 0.556889 O\n0.386561 0.289768 0.056889 O\n0.903207 0.613439 0.443111 O\n0.903207 0.289768 0.556889 O\n0.710232 0.613439 0.943111 O\n0.386561 0.289768 0.443111 O\n0.903207 0.289768 0.943111 O\n0.386561 0.096793 0.556889 O\n0.386561 0.096793 0.943111 O\n","nsites":54,"nelements":3,"elements":["Pr","Ta","O"],"chemical_system":"O-Pr-Ta","density":8.212564811320584,"density_atomic":0.07802047731102653,"volume":692.1259887289648,"volume_molar":7.718666903296295,"formula_full":"Pr2 Ta14 O38","formula_reduced":"PrTa7O19","formula_anonymous":"AB7C19","energy":-548.26247514,"energy_per_atom":-10.153008798888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-522.15647514,"band_gap":3.1645,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003543,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.671000Z","spacegroup":188},{"id":"mp-17413","created_at":"2022-09-04T14:43:14.228437Z","structure_string":"Ti6 Rh10\n1.0\n4.132403 0.000000 0.000000\n0.000000 5.423801 0.000000\n0.000000 0.000000 10.529231\nTi Rh\n6 10\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.339781 0.143740 Ti\n0.500000 0.660219 0.856260 Ti\n0.500000 0.839781 0.356260 Ti\n0.500000 0.160219 0.643740 Ti\n0.000000 0.000000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.102986 0.236018 Rh\n0.000000 0.897014 0.763982 Rh\n0.000000 0.602986 0.263982 Rh\n0.000000 0.397014 0.736018 Rh\n0.500000 0.313734 0.392890 Rh\n0.500000 0.686266 0.607110 Rh\n0.500000 0.813734 0.107110 Rh\n0.500000 0.186266 0.892890 Rh\n","nsites":16,"nelements":2,"elements":["Ti","Rh"],"chemical_system":"Rh-Ti","density":9.2616149765194,"density_atomic":0.06779800488542707,"volume":235.9951450937038,"volume_molar":8.882474890193173,"formula_full":"Ti6 Rh10","formula_reduced":"Ti3Rh5","formula_anonymous":"A3B5","energy":-133.43011398,"energy_per_atom":-8.33938212375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-133.43011398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0036417,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.141000Z","spacegroup":55},{"id":"mp-865707","created_at":"2022-09-04T14:43:14.252621Z","structure_string":"Ti1 Sn1 Rh2\n1.0\n0.000000 3.182407 3.182407\n3.182407 0.000000 3.182407\n3.182407 3.182407 0.000000\nTi Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Ti","Sn","Rh"],"chemical_system":"Rh-Sn-Ti","density":9.592849175255795,"density_atomic":0.06205300712461648,"volume":64.46101785151355,"volume_molar":9.704833075867183,"formula_full":"Ti1 Sn1 Rh2","formula_reduced":"TiSnRh2","formula_anonymous":"ABC2","energy":-29.26000346,"energy_per_atom":-7.315000865,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.26000346,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010296,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.966000Z","spacegroup":225},{"id":"mp-1272748","created_at":"2022-09-04T14:43:13.554117Z","structure_string":"Sr4 V2 Mo2 O12\n1.0\n0.000159 3.995146 4.000788\n-4.034689 -3.993805 3.999089\n4.034944 -3.993777 3.999371\nSr V Mo O\n4 2 2 12\ndirect\n0.496666 0.750175 0.251669 Sr\n0.496745 0.251676 0.750199 Sr\n0.001570 0.001358 0.495225 Sr\n0.001557 0.495223 0.001376 Sr\n0.997377 0.498501 0.498506 V\n0.999406 0.999586 0.999604 V\n0.500583 0.250053 0.250065 Mo\n0.500338 0.750442 0.750442 Mo\n0.002560 0.741563 0.261366 O\n0.002503 0.261372 0.741562 O\n0.498737 0.995099 0.504028 O\n0.498848 0.504077 0.995159 O\n0.251706 0.126619 0.126402 O\n0.255772 0.626674 0.626600 O\n0.754682 0.376643 0.376737 O\n0.740898 0.870939 0.871069 O\n0.249168 0.378111 0.378097 O\n0.245571 0.875127 0.875082 O\n0.752980 0.123174 0.123254 O\n0.752336 0.623588 0.623560 O\n","nsites":20,"nelements":4,"elements":["Sr","V","Mo","O"],"chemical_system":"Mo-O-Sr-V","density":5.384856319729016,"density_atomic":0.07755793937784115,"volume":257.8717299664893,"volume_molar":7.764699279414542,"formula_full":"Sr4 V2 Mo2 O12","formula_reduced":"Sr2VMoO6","formula_anonymous":"ABC2D6","energy":-160.88491924,"energy_per_atom":-8.044245962,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.83691924,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9999996,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.713000Z","spacegroup":38}]}