{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10228","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10226","results":[{"id":"mp-1211104","created_at":"2022-09-04T14:45:05.856988Z","structure_string":"Li4 Se4 O12\n1.0\n5.417166 0.000000 0.000000\n0.000000 5.436661 0.000000\n0.000000 0.000000 11.534035\nLi Se O\n4 4 12\ndirect\n0.198605 0.264557 0.585510 Li\n0.301395 0.735443 0.085510 Li\n0.698605 0.235443 0.414490 Li\n0.801395 0.764557 0.914490 Li\n0.210592 0.910205 0.357999 Se\n0.289408 0.089795 0.857999 Se\n0.710592 0.589795 0.642001 Se\n0.789408 0.410205 0.142001 Se\n0.144531 0.881366 0.944970 O\n0.355469 0.118634 0.444970 O\n0.644531 0.618634 0.055030 O\n0.855469 0.381366 0.555030 O\n0.905307 0.948343 0.371927 O\n0.594693 0.051657 0.871927 O\n0.405307 0.551657 0.628073 O\n0.094693 0.448343 0.128073 O\n0.197937 0.043966 0.719866 O\n0.302063 0.956034 0.219866 O\n0.697937 0.456034 0.280134 O\n0.802063 0.543966 0.780134 O\n","nsites":20,"nelements":3,"elements":["Li","Se","O"],"chemical_system":"Li-O-Se","density":2.6181914991549267,"density_atomic":0.05887681834542391,"volume":339.6922687408509,"volume_molar":10.228373287205763,"formula_full":"Li4 Se4 O12","formula_reduced":"LiSeO3","formula_anonymous":"ABC3","energy":-109.6770634,"energy_per_atom":-5.48385317,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.43306339999998,"band_gap":0.5306,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9979905,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.971000Z","spacegroup":19},{"id":"mp-10284","created_at":"2022-09-04T14:43:37.443918Z","structure_string":"Y2 Si6 Ni2\n1.0\n1.970214 -10.522897 0.000000\n1.970214 10.522897 0.000000\n0.000000 0.000000 3.958797\nY Si Ni\n2 6 2\ndirect\n0.331046 0.668954 0.500000 Y\n0.668954 0.331046 0.500000 Y\n0.444010 0.555990 0.000000 Si\n0.555990 0.444010 0.000000 Si\n0.217804 0.782196 0.000000 Si\n0.782196 0.217804 0.000000 Si\n0.944027 0.055973 0.500000 Si\n0.055973 0.944027 0.500000 Si\n0.110004 0.889996 0.000000 Ni\n0.889996 0.110004 0.000000 Ni\n","nsites":10,"nelements":3,"elements":["Y","Si","Ni"],"chemical_system":"Ni-Si-Y","density":4.690887478872125,"density_atomic":0.060919741470400836,"volume":164.15040114473754,"volume_molar":9.885368215040746,"formula_full":"Y2 Si6 Ni2","formula_reduced":"YSi3Ni","formula_anonymous":"ABC3","energy":-63.51077852,"energy_per_atom":-6.351077852,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.93677852,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030035,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.206000Z","spacegroup":65},{"id":"mp-562726","created_at":"2022-09-04T14:43:35.866615Z","structure_string":"Cs4 Ga4 S12\n1.0\n12.737441 0.000000 0.000000\n0.000000 6.548182 0.000000\n0.000000 2.341502 7.383782\nCs Ga S\n4 4 12\ndirect\n0.082940 0.719067 0.252773 Cs\n0.417060 0.219067 0.252773 Cs\n0.582940 0.780933 0.747227 Cs\n0.917060 0.280933 0.747227 Cs\n0.229208 0.643428 0.809638 Ga\n0.729208 0.856572 0.190362 Ga\n0.270792 0.143428 0.809638 Ga\n0.770792 0.356572 0.190362 Ga\n0.676245 0.187992 0.020239 S\n0.823755 0.687992 0.020239 S\n0.327615 0.630650 0.560014 S\n0.414450 0.355605 0.692140 S\n0.585550 0.644395 0.307860 S\n0.085550 0.855605 0.692140 S\n0.172385 0.130650 0.560014 S\n0.827615 0.869350 0.439986 S\n0.176245 0.312008 0.979761 S\n0.323755 0.812008 0.979761 S\n0.672385 0.369350 0.439986 S\n0.914450 0.144395 0.307860 S\n","nsites":20,"nelements":3,"elements":["Cs","Ga","S"],"chemical_system":"Cs-Ga-S","density":3.2228639603465137,"density_atomic":0.03247492842820772,"volume":615.8597098747723,"volume_molar":18.5439693063932,"formula_full":"Cs4 Ga4 S12","formula_reduced":"CsGaS3","formula_anonymous":"ABC3","energy":-88.03841394,"energy_per_atom":-4.4019206969999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.00241394,"band_gap":2.4313,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005898,"is_theoretical":false,"updated_at":"2021-11-28T01:36:18.606000Z","spacegroup":14},{"id":"mp-758652","created_at":"2022-09-04T14:43:37.443161Z","structure_string":"Zn2 Co2 O6\n1.0\n4.791860 -2.469579 0.000000\n4.791860 2.469579 0.000000\n3.519114 0.000000 4.083696\nZn Co O\n2 2 6\ndirect\n0.366277 0.366277 0.366277 Zn\n0.633723 0.633723 0.633723 Zn\n0.160801 0.160801 0.160801 Co\n0.839199 0.839199 0.839199 Co\n0.438157 0.787975 0.043863 O\n0.787975 0.043863 0.438157 O\n0.043863 0.438157 0.787975 O\n0.956137 0.561843 0.212025 O\n0.212025 0.956137 0.561843 O\n0.561843 0.212025 0.956137 O\n","nsites":10,"nelements":3,"elements":["Zn","Co","O"],"chemical_system":"Co-O-Zn","density":5.92182722329932,"density_atomic":0.10346406919698806,"volume":96.65191092533513,"volume_molar":5.8205141231535,"formula_full":"Zn2 Co2 O6","formula_reduced":"ZnCoO3","formula_anonymous":"ABC3","energy":-59.47583421,"energy_per_atom":-5.947583421,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.077834210000006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.956136,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.448000Z","spacegroup":148},{"id":"mp-22224","created_at":"2022-09-04T14:43:37.512793Z","structure_string":"Mn4 Se4 O12\n1.0\n5.208064 0.000000 0.000003\n0.000000 6.187389 0.000000\n0.000004 0.000000 8.016771\nMn Se O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000001 0.000000 Mn\n0.000000 0.500002 0.500000 Mn\n0.982500 0.026796 0.250000 Se\n0.482500 0.473204 0.750000 Se\n0.517500 0.526796 0.250000 Se\n0.017500 0.973203 0.750000 Se\n0.311738 0.077999 0.249997 O\n0.811738 0.422000 0.749997 O\n0.188262 0.577999 0.250003 O\n0.688262 0.922000 0.750003 O\n0.865271 0.181256 0.417000 O\n0.365263 0.318751 0.583000 O\n0.634729 0.681257 0.083000 O\n0.134737 0.818751 0.917000 O\n0.134729 0.818743 0.583000 O\n0.634737 0.681249 0.417000 O\n0.365271 0.318743 0.917000 O\n0.865263 0.181249 0.083000 O\n","nsites":20,"nelements":3,"elements":["Mn","Se","O"],"chemical_system":"Mn-O-Se","density":4.676808755466236,"density_atomic":0.0774188621726389,"volume":258.33497727467676,"volume_molar":7.778647981897523,"formula_full":"Mn4 Se4 O12","formula_reduced":"MnSeO3","formula_anonymous":"ABC3","energy":-142.61974934,"energy_per_atom":-7.130987467,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.70374934,"band_gap":2.8433,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.204000Z","spacegroup":62},{"id":"mp-560976","created_at":"2022-09-04T14:43:38.111568Z","structure_string":"K1 Ni1 F3\n1.0\n4.069172 0.000000 0.000000\n0.000000 4.069172 0.000000\n0.000000 0.000000 4.069172\nK Ni F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n","nsites":5,"nelements":3,"elements":["K","Ni","F"],"chemical_system":"F-K-Ni","density":3.8147421194497246,"density_atomic":0.07420819394137552,"volume":67.37800415881297,"volume_molar":8.115196503444743,"formula_full":"K1 Ni1 F3","formula_reduced":"KNiF3","formula_anonymous":"ABC3","energy":-25.83362483,"energy_per_atom":-5.166724966,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.90662483,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0003394,"is_theoretical":false,"updated_at":"2021-11-28T01:36:19Z","spacegroup":221},{"id":"mp-555359","created_at":"2022-09-04T14:43:42.137324Z","structure_string":"K2 Mn2 F6\n1.0\n-2.995135 2.995135 4.288394\n2.995135 -2.995135 4.288394\n2.995135 2.995135 -4.288394\nK Mn F\n2 2 6\ndirect\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.000000 F\n0.250000 0.250000 0.000000 F\n0.285748 0.785748 0.071497 F\n0.785748 0.714252 0.500000 F\n0.714252 0.214252 0.928503 F\n0.214252 0.285748 0.500000 F\n","nsites":10,"nelements":3,"elements":["K","Mn","F"],"chemical_system":"F-K-Mn","density":3.259562482738723,"density_atomic":0.06498491042431213,"volume":153.88187711125633,"volume_molar":9.266983243770078,"formula_full":"K2 Mn2 F6","formula_reduced":"KMnF3","formula_anonymous":"ABC3","energy":-62.22539082,"energy_per_atom":-6.222539082,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-56.11739082,"band_gap":2.7802,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:15.793000Z","spacegroup":140},{"id":"mp-998397","created_at":"2022-09-04T14:43:37.292358Z","structure_string":"K2 Cr2 Cl6\n1.0\n6.052481 -3.520403 0.000000\n6.052481 3.520403 0.000000\n4.004852 0.000000 5.743424\nK Cr Cl\n2 2 6\ndirect\n0.739350 0.739350 0.739350 K\n0.239350 0.239350 0.239350 K\n0.995336 0.995336 0.995336 Cr\n0.495336 0.495336 0.495336 Cr\n0.745892 0.200890 0.290032 Cl\n0.200890 0.290032 0.745892 Cl\n0.290032 0.745892 0.200890 Cl\n0.790032 0.700890 0.245892 Cl\n0.245892 0.790032 0.700890 Cl\n0.700890 0.245892 0.790032 Cl\n","nsites":10,"nelements":3,"elements":["K","Cr","Cl"],"chemical_system":"Cl-Cr-K","density":2.679273311196968,"density_atomic":0.04085764291755757,"volume":244.75224917350153,"volume_molar":14.7393249584942,"formula_full":"K2 Cr2 Cl6","formula_reduced":"KCrCl3","formula_anonymous":"ABC3","energy":-49.9546839,"energy_per_atom":-4.99546839,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.2706839,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9978001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.531000Z","spacegroup":161},{"id":"mp-1183286","created_at":"2022-09-04T14:43:38.911113Z","structure_string":"Ba1 Dy1 O3\n1.0\n4.428139 0.000000 0.000000\n0.000000 4.428139 0.000000\n0.000000 0.000000 4.428139\nBa Dy O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Dy\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ba","Dy","O"],"chemical_system":"Ba-Dy-O","density":6.651910634066194,"density_atomic":0.05758458871745193,"volume":86.82878720439085,"volume_molar":10.457903571298573,"formula_full":"Ba1 Dy1 O3","formula_reduced":"BaDyO3","formula_anonymous":"ABC3","energy":-36.9693635,"energy_per_atom":-7.3938727,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.9083635,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9998442,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.520000Z","spacegroup":221},{"id":"mp-1100357","created_at":"2022-09-04T14:43:40.851384Z","structure_string":"Ca5 Sn5 S15\n1.0\n3.377523 6.090544 0.000000\n-3.377523 6.090544 0.000000\n0.000000 0.933786 15.317349\nCa Sn S\n5 5 15\ndirect\n0.000000 0.000000 0.000000 Ca\n0.662883 0.662883 0.136220 Ca\n0.337117 0.337117 0.863780 Ca\n0.737266 0.737266 0.618621 Ca\n0.262734 0.262734 0.381379 Ca\n0.960254 0.960254 0.290912 Sn\n0.039746 0.039746 0.709088 Sn\n0.688550 0.688550 0.886131 Sn\n0.311450 0.311450 0.113869 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.912922 0.912922 0.843437 S\n0.426531 0.943331 0.768861 S\n0.943331 0.426531 0.768861 S\n0.087078 0.087078 0.156563 S\n0.573469 0.056669 0.231139 S\n0.056669 0.573469 0.231139 S\n0.812415 0.812415 0.434176 S\n0.311857 0.811902 0.377610 S\n0.811902 0.311857 0.377610 S\n0.187585 0.187585 0.565824 S\n0.688143 0.188098 0.622390 S\n0.188098 0.688143 0.622390 S\n","nsites":25,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.3594046945967184,"density_atomic":0.039670895604133574,"volume":630.1849156487176,"volume_molar":15.180249067461215,"formula_full":"Ca5 Sn5 S15","formula_reduced":"CaSnS3","formula_anonymous":"ABC3","energy":-120.44701209,"energy_per_atom":-4.8178804836,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-112.90201209,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0054184,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.457000Z","spacegroup":12},{"id":"mp-998398","created_at":"2022-09-04T14:43:17.609791Z","structure_string":"In1 Sn1 Br3\n1.0\n5.932798 0.000000 0.000000\n0.168446 5.957245 0.000000\n0.290729 0.507085 5.957122\nIn Sn Br\n1 1 3\ndirect\n0.079587 0.105284 0.117589 In\n0.487889 0.495695 0.480143 Sn\n0.992828 0.478537 0.449512 Br\n0.461960 0.453697 0.951429 Br\n0.477733 0.976788 0.441330 Br\n","nsites":5,"nelements":3,"elements":["In","Sn","Br"],"chemical_system":"Br-In-Sn","density":3.7324072606654997,"density_atomic":0.02374807909849257,"volume":210.5433445485441,"volume_molar":25.358433139050224,"formula_full":"In1 Sn1 Br3","formula_reduced":"InSnBr3","formula_anonymous":"ABC3","energy":-16.91774402,"energy_per_atom":-3.383548804,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.31574402,"band_gap":1.0975,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004384,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.746000Z","spacegroup":1},{"id":"mp-803450","created_at":"2022-09-04T14:43:37.167290Z","structure_string":"V4 Cr4 O12\n1.0\n5.126993 0.000000 0.000000\n-2.557955 -4.867890 0.000000\n0.003393 2.655871 -8.418936\nV Cr O\n4 4 12\ndirect\n0.780111 0.704838 0.924211 V\n0.476793 0.297640 0.825310 V\n0.973127 0.298823 0.324386 V\n0.721830 0.295768 0.575435 V\n0.271984 0.697848 0.424983 Cr\n0.023748 0.698134 0.674731 Cr\n0.525039 0.700195 0.174932 Cr\n0.228045 0.303489 0.075119 Cr\n0.523896 0.195960 0.276782 O\n0.024725 0.197932 0.776925 O\n0.571097 0.501490 0.624966 O\n0.932776 0.501654 0.874646 O\n0.477468 0.200406 0.026536 O\n0.974188 0.196168 0.527533 O\n0.024778 0.802115 0.472950 O\n0.525460 0.800608 0.975213 O\n0.076027 0.502931 0.123956 O\n0.426289 0.500416 0.374478 O\n0.974000 0.803797 0.223714 O\n0.468622 0.799788 0.723194 O\n","nsites":20,"nelements":3,"elements":["V","Cr","O"],"chemical_system":"Cr-O-V","density":4.771343255848526,"density_atomic":0.09518517379881469,"volume":210.11675665237954,"volume_molar":6.326763422976479,"formula_full":"V4 Cr4 O12","formula_reduced":"VCrO3","formula_anonymous":"ABC3","energy":-128.95483691,"energy_per_atom":-6.4477418455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.91483691,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.5086943,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.483000Z","spacegroup":1}]}