{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=113","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-energy_above_hull&page=111","results":[{"id":"mp-655446","created_at":"2022-09-04T14:42:26.099260Z","structure_string":"V1 S2\n1.0\n2.296021 0.000000 0.000000\n0.054194 2.386223 0.000000\n0.706404 0.842482 24.122370\nV S\n1 2\ndirect\n0.508198 0.487999 0.496148 V\n0.932173 0.446196 0.190916 S\n0.076849 0.588119 0.810690 S\n","nsites":3,"nelements":2,"elements":["V","S"],"chemical_system":"S-V","density":1.4458059706070105,"density_atomic":0.022699400988914042,"volume":132.16207782157525,"volume_molar":26.529954525853345,"formula_full":"V1 S2","formula_reduced":"VS2","formula_anonymous":"AB2","energy":-15.138559190000002,"energy_per_atom":-5.046186396666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.13255919,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0436716,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.034000Z","spacegroup":1},{"id":"mp-849379","created_at":"2022-09-04T14:42:26.104483Z","structure_string":"Fe10 O9 F11\n1.0\n3.545083 3.265619 0.000000\n-3.545083 3.265619 0.000000\n0.000000 0.087472 15.356961\nFe O F\n10 9 11\ndirect\n0.006120 0.006418 0.803165 Fe\n0.000553 0.999447 0.000000 Fe\n0.993582 0.993880 0.196835 Fe\n0.042295 0.020570 0.404045 Fe\n0.979430 0.957705 0.595955 Fe\n0.501260 0.501492 0.904591 Fe\n0.494362 0.483112 0.290282 Fe\n0.498508 0.498740 0.095409 Fe\n0.461195 0.538805 0.500000 Fe\n0.516888 0.505638 0.709718 Fe\n0.187386 0.812614 0.500000 O\n0.709625 0.706245 0.799628 O\n0.696079 0.696035 0.000282 O\n0.699738 0.697036 0.203243 O\n0.677344 0.677746 0.599798 O\n0.302964 0.300262 0.796757 O\n0.303965 0.303921 0.999718 O\n0.293755 0.290375 0.200372 O\n0.322254 0.322656 0.400202 O\n0.206432 0.799868 0.892394 F\n0.200132 0.793568 0.107606 F\n0.194578 0.809465 0.304446 F\n0.190535 0.805422 0.695554 F\n0.706049 0.717162 0.401114 F\n0.282838 0.293951 0.598886 F\n0.800045 0.205660 0.892403 F\n0.815829 0.189859 0.306408 F\n0.794340 0.199955 0.107597 F\n0.810141 0.184171 0.693592 F\n0.811777 0.188223 0.500000 F\n","nsites":30,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.256413434728519,"density_atomic":0.08437116693578303,"volume":355.57170879044185,"volume_molar":7.137676268699234,"formula_full":"Fe10 O9 F11","formula_reduced":"Fe10O9F11","formula_anonymous":"A9B10C11","energy":-211.97096725,"energy_per_atom":-7.065698908333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-178.14596725,"band_gap":0.4561000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.9994808,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.377000Z","spacegroup":5},{"id":"mp-1027980","created_at":"2022-09-04T14:42:26.104871Z","structure_string":"Te2 Mo3 W1 Se2 S4\n1.0\n1.655739 -2.867824 0.000000\n1.655739 2.867824 0.000000\n0.000000 0.000000 38.119989\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333333 0.666667 0.707997 Te\n0.333333 0.666667 0.607025 Te\n0.333333 0.666667 0.093940 Mo\n0.333333 0.666667 0.469643 Mo\n0.666667 0.333333 0.281802 Mo\n0.666667 0.333333 0.657514 W\n0.333333 0.666667 0.325783 Se\n0.333333 0.666667 0.237821 Se\n0.666667 0.333333 0.053852 S\n0.666667 0.333333 0.429617 S\n0.666667 0.333333 0.134035 S\n0.666667 0.333333 0.509719 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":4.646741954281663,"density_atomic":0.03314775424514582,"volume":362.0154750531037,"volume_molar":18.167567900567157,"formula_full":"Te2 Mo3 W1 Se2 S4","formula_reduced":"Te2Mo3W(SeS2)2","formula_anonymous":"AB2C2D3E4","energy":-85.09309689,"energy_per_atom":-7.0910914074999996,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.13709689,"band_gap":1.8862,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.3e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.354000Z","spacegroup":156},{"id":"mp-1184316","created_at":"2022-09-04T14:42:26.107400Z","structure_string":"Ga6 Au2\n1.0\n3.148278 -5.452978 0.000000\n3.148278 5.452978 0.000000\n0.000000 0.000000 4.290587\nGa Au\n6 2\ndirect\n0.167140 0.334280 0.250000 Ga\n0.665720 0.832860 0.250000 Ga\n0.167140 0.832860 0.250000 Ga\n0.832860 0.665720 0.750000 Ga\n0.334280 0.167140 0.750000 Ga\n0.832860 0.167140 0.750000 Ga\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n","nsites":8,"nelements":2,"elements":["Ga","Au"],"chemical_system":"Au-Ga","density":9.155806193022066,"density_atomic":0.05430457994159382,"volume":147.3172245988135,"volume_molar":11.089563286332368,"formula_full":"Ga6 Au2","formula_reduced":"Ga3Au","formula_anonymous":"AB3","energy":-24.89684949,"energy_per_atom":-3.11210618625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.89684949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005037,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.489000Z","spacegroup":194},{"id":"mp-755844","created_at":"2022-09-04T14:42:26.115128Z","structure_string":"Ni4 Te4 P8 O32\n1.0\n-0.243504 0.007043 4.790592\n9.851931 -0.007237 -0.513027\n-0.008601 13.073821 0.019347\nNi Te P O\n4 4 8 32\ndirect\n0.930526 0.266215 0.625437 Ni\n0.069822 0.733728 0.873649 Ni\n0.930847 0.266074 0.124918 Ni\n0.069489 0.733889 0.374318 Ni\n0.426898 0.201485 0.375284 Te\n0.427234 0.201227 0.875323 Te\n0.573141 0.798509 0.124419 Te\n0.572654 0.798816 0.624363 Te\n0.343945 0.090364 0.124841 P\n0.343406 0.090478 0.624799 P\n0.656142 0.909644 0.375216 P\n0.656541 0.909518 0.875238 P\n0.892919 0.402375 0.375034 P\n0.893496 0.402193 0.874909 P\n0.107071 0.597623 0.125216 P\n0.106377 0.597820 0.625277 P\n0.760930 0.064210 0.375565 O\n0.761263 0.064114 0.875777 O\n0.239124 0.935797 0.124337 O\n0.238629 0.935884 0.624121 O\n0.664152 0.101124 0.124846 O\n0.663631 0.101238 0.624873 O\n0.335922 0.898905 0.375111 O\n0.336301 0.898799 0.875026 O\n0.204652 0.375272 0.375255 O\n0.205251 0.375187 0.875245 O\n0.795329 0.624696 0.124577 O\n0.794647 0.624823 0.624542 O\n0.136338 0.447863 0.124905 O\n0.135969 0.448055 0.625019 O\n0.863706 0.552150 0.375316 O\n0.864072 0.551977 0.875145 O\n0.219865 0.166344 0.032670 O\n0.219186 0.166544 0.532768 O\n0.217821 0.166255 0.216701 O\n0.217326 0.166069 0.716828 O\n0.782663 0.833664 0.283572 O\n0.782976 0.833825 0.783407 O\n0.779713 0.833767 0.467612 O\n0.780253 0.833506 0.967470 O\n0.722709 0.322991 0.466526 O\n0.723332 0.322853 0.966432 O\n0.724410 0.323045 0.283449 O\n0.725052 0.322777 0.783356 O\n0.277918 0.676966 0.033770 O\n0.277190 0.677121 0.533800 O\n0.274945 0.676977 0.216851 O\n0.274218 0.677244 0.716888 O\n","nsites":48,"nelements":4,"elements":["Ni","Te","P","O"],"chemical_system":"Ni-O-P-Te","density":4.060772550425717,"density_atomic":0.07799743514727098,"volume":615.4048515745259,"volume_molar":7.720947167851463,"formula_full":"Ni4 Te4 P8 O32","formula_reduced":"NiTe(PO4)2","formula_anonymous":"ABC2D8","energy":-339.14711981000005,"energy_per_atom":-7.065564996041668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.99911981,"band_gap":2.648000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.320000Z","spacegroup":11},{"id":"mp-1079063","created_at":"2022-09-04T14:42:26.137494Z","structure_string":"Na5 Li1 N2\n1.0\n4.449880 0.000000 0.000000\n0.000000 4.388299 0.000000\n0.000000 0.064088 7.677768\nNa Li N\n5 1 2\ndirect\n0.500000 0.091683 0.667263 Na\n0.000000 0.916620 0.831415 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.908317 0.332737 Na\n0.000000 0.083380 0.168585 Na\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 N\n0.500000 0.000000 0.000000 N\n","nsites":8,"nelements":3,"elements":["Na","Li","N"],"chemical_system":"Li-N-Na","density":1.6602773398792476,"density_atomic":0.05335934523081247,"volume":149.92687720201602,"volume_molar":11.286009477722192,"formula_full":"Na5 Li1 N2","formula_reduced":"Na5LiN2","formula_anonymous":"AB2C5","energy":-24.25762673,"energy_per_atom":-3.03220334125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.53562673,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002808,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.977000Z","spacegroup":10},{"id":"mp-18784","created_at":"2022-09-04T14:42:26.179556Z","structure_string":"Dy2 V2 O8\n1.0\n-3.606121 3.606121 3.177216\n3.606121 -3.606121 3.177216\n3.606121 3.606121 -3.177216\nDy V O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 V\n0.750000 0.250000 0.500000 V\n0.323936 0.508710 0.184773 O\n0.323936 0.139163 0.815227 O\n0.491290 0.676064 0.815227 O\n0.926064 0.610837 0.684773 O\n0.926064 0.241290 0.315227 O\n0.860837 0.676064 0.184773 O\n0.389163 0.073936 0.315227 O\n0.758710 0.073936 0.684773 O\n","nsites":12,"nelements":3,"elements":["Dy","V","O"],"chemical_system":"Dy-O-V","density":5.575186987806518,"density_atomic":0.07260957986562219,"volume":165.2674484855618,"volume_molar":8.293865315217516,"formula_full":"Dy2 V2 O8","formula_reduced":"DyVO4","formula_anonymous":"ABC4","energy":-105.49917064000002,"energy_per_atom":-8.791597553333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.60317064,"band_gap":2.6975,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.419000Z","spacegroup":141},{"id":"mp-1080077","created_at":"2022-09-04T14:42:26.474360Z","structure_string":"U3 Ga3 Pt3\n1.0\n3.514408 -6.087133 0.000000\n3.514408 6.087133 0.000000\n0.000000 0.000000 4.123764\nU Ga Pt\n3 3 3\ndirect\n0.421483 0.000000 0.500000 U\n0.000000 0.421483 0.500000 U\n0.578517 0.578517 0.500000 U\n0.756914 0.000000 0.000000 Ga\n0.000000 0.756914 0.000000 Ga\n0.243086 0.243086 0.000000 Ga\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n","nsites":9,"nelements":3,"elements":["U","Ga","Pt"],"chemical_system":"Ga-Pt-U","density":14.197368964131599,"density_atomic":0.0510098141279542,"volume":176.4366358486269,"volume_molar":11.805847292236592,"formula_full":"U3 Ga3 Pt3","formula_reduced":"UGaPt","formula_anonymous":"ABC","energy":-66.90437785,"energy_per_atom":-7.433819761111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-66.90437785,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.1596552,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.708000Z","spacegroup":189},{"id":"mp-1111504","created_at":"2022-09-04T14:42:26.479882Z","structure_string":"Na3 Tm1 Cl6\n1.0\n0.000000 5.277775 5.277775\n5.277775 0.000000 5.277775\n5.277775 5.277775 0.000000\nNa Tm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.755401 0.244599 0.244599 Cl\n0.244599 0.244599 0.755401 Cl\n0.244599 0.755401 0.755401 Cl\n0.244599 0.755401 0.244599 Cl\n0.755401 0.244599 0.755401 Cl\n0.755401 0.755401 0.244599 Cl\n","nsites":10,"nelements":3,"elements":["Na","Tm","Cl"],"chemical_system":"Cl-Na-Tm","density":2.5449450704544607,"density_atomic":0.03401084244601688,"volume":294.0238841737698,"volume_molar":17.70653217296378,"formula_full":"Na3 Tm1 Cl6","formula_reduced":"Na3TmCl6","formula_anonymous":"AB3C6","energy":-41.9019256,"energy_per_atom":-4.19019256,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.2179256,"band_gap":2.5247,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.48e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.339000Z","spacegroup":225},{"id":"mp-1216029","created_at":"2022-09-04T14:42:26.520767Z","structure_string":"Y1 Cr1 Fe11\n1.0\n-2.333421 4.200117 4.256743\n2.333421 -4.200117 4.256743\n2.333421 4.200117 -4.256743\nY Cr Fe\n1 1 11\ndirect\n0.993974 0.993974 0.000000 Y\n0.366296 0.366296 0.000000 Cr\n0.225238 0.500695 0.724544 Fe\n0.776151 0.500695 0.275456 Fe\n0.230428 0.730428 0.500000 Fe\n0.771095 0.271095 0.500000 Fe\n0.498022 0.999929 0.998611 Fe\n0.498022 0.499411 0.498093 Fe\n0.001317 0.999929 0.501907 Fe\n0.001317 0.499411 0.001389 Fe\n0.633937 0.633937 0.000000 Fe\n0.643299 0.002101 0.641197 Fe\n0.360904 0.002101 0.358803 Fe\n","nsites":13,"nelements":3,"elements":["Y","Cr","Fe"],"chemical_system":"Cr-Fe-Y","density":7.514799753292549,"density_atomic":0.07790250806380282,"volume":166.87524346909203,"volume_molar":7.7303554271549455,"formula_full":"Y1 Cr1 Fe11","formula_reduced":"YCrFe11","formula_anonymous":"ABC11","energy":-109.47786414,"energy_per_atom":-8.421374164615385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.47786414,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.2326237,"is_theoretical":true,"updated_at":"2021-11-28T01:35:43.739000Z","spacegroup":44},{"id":"mp-20472","created_at":"2022-09-04T14:42:26.573961Z","structure_string":"La4 Ru4 O12\n1.0\n5.476499 0.000000 0.000000\n0.000000 5.913106 0.000000\n0.000000 0.000000 7.924620\nLa Ru O\n4 4 12\ndirect\n0.020169 0.934929 0.750000 La\n0.520169 0.565071 0.250000 La\n0.479831 0.434929 0.750000 La\n0.979831 0.065071 0.250000 La\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.900783 0.534069 0.750000 O\n0.400783 0.965931 0.250000 O\n0.599217 0.034069 0.750000 O\n0.099217 0.465931 0.250000 O\n0.692085 0.299106 0.450059 O\n0.192085 0.200894 0.549941 O\n0.807915 0.799106 0.049941 O\n0.307915 0.700894 0.950059 O\n0.692085 0.299106 0.049941 O\n0.192085 0.200894 0.950059 O\n0.807915 0.799106 0.450059 O\n0.307915 0.700894 0.549941 O\n","nsites":20,"nelements":3,"elements":["La","Ru","O"],"chemical_system":"La-O-Ru","density":7.453577075210139,"density_atomic":0.07793505970170186,"volume":256.6239132497035,"volume_molar":7.727126639858717,"formula_full":"La4 Ru4 O12","formula_reduced":"LaRuO3","formula_anonymous":"ABC3","energy":-167.41924619,"energy_per_atom":-8.3709623095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-159.17524619,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9931694,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.830000Z","spacegroup":62},{"id":"mp-1197578","created_at":"2022-09-04T14:42:26.594416Z","structure_string":"Ca8 As8 O40\n1.0\n-6.782001 0.000000 0.000000\n0.000000 0.000000 -7.723025\n0.000000 -16.115979 0.000000\nCa As O\n8 8 40\ndirect\n0.365286 0.185801 0.446017 Ca\n0.134714 0.314199 0.946017 Ca\n0.865286 0.314199 0.553983 Ca\n0.634714 0.185801 0.053983 Ca\n0.634714 0.814199 0.553983 Ca\n0.865286 0.685801 0.053983 Ca\n0.134714 0.685801 0.446017 Ca\n0.365286 0.814199 0.946017 Ca\n0.842419 0.070547 0.384911 As\n0.657581 0.429453 0.884911 As\n0.342419 0.429453 0.615089 As\n0.157581 0.070547 0.115089 As\n0.157581 0.929453 0.615089 As\n0.342419 0.570547 0.115089 As\n0.657581 0.570547 0.384911 As\n0.842419 0.929453 0.884911 As\n0.698428 0.139634 0.300775 O\n0.801572 0.360366 0.800775 O\n0.198428 0.360366 0.699225 O\n0.301572 0.139634 0.199225 O\n0.301572 0.860366 0.699225 O\n0.198428 0.639634 0.199225 O\n0.801572 0.639634 0.300775 O\n0.698428 0.860366 0.800775 O\n0.024904 0.211007 0.415832 O\n0.475096 0.288993 0.915832 O\n0.524904 0.288993 0.584168 O\n0.975096 0.211007 0.084168 O\n0.975096 0.788993 0.584168 O\n0.524904 0.711007 0.084168 O\n0.475096 0.711007 0.415832 O\n0.024904 0.788993 0.915832 O\n0.951613 0.874967 0.361770 O\n0.548387 0.625033 0.861770 O\n0.451613 0.625033 0.638230 O\n0.048387 0.874967 0.138230 O\n0.048387 0.125033 0.638230 O\n0.451613 0.374967 0.138230 O\n0.548387 0.374967 0.361770 O\n0.951613 0.125033 0.861770 O\n0.694912 0.063801 0.472541 O\n0.805088 0.436199 0.972541 O\n0.194912 0.436199 0.527459 O\n0.305088 0.063801 0.027459 O\n0.305088 0.936199 0.527459 O\n0.194912 0.563801 0.027459 O\n0.805088 0.563801 0.472541 O\n0.694912 0.936199 0.972541 O\n0.404959 0.982744 0.331960 O\n0.095041 0.517256 0.831960 O\n0.904959 0.517256 0.668040 O\n0.595041 0.982744 0.168040 O\n0.595041 0.017256 0.668040 O\n0.904959 0.482744 0.168040 O\n0.095041 0.482744 0.331960 O\n0.404959 0.017256 0.831960 O\n","nsites":56,"nelements":3,"elements":["Ca","As","O"],"chemical_system":"As-Ca-O","density":3.068768590873452,"density_atomic":0.06634161567096701,"volume":844.115709779242,"volume_molar":9.077470753603398,"formula_full":"Ca8 As8 O40","formula_reduced":"CaAsO5","formula_anonymous":"ABC5","energy":-337.47396411,"energy_per_atom":-6.026320787678571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-309.99396411,"band_gap":0.1497,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0074186,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.829000Z","spacegroup":60}]}