{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&page=20","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&page=18","results":[{"id":118,"created_at":"2022-09-04T14:35:36.610582Z","updated_at":"2022-09-04T14:35:36.610613Z","structure_string":"Zr4 O8\n1.0\n5.083813 0.000000 -0.826130\n-0.000000 5.211600 0.000000\n0.000000 0.000000 5.317300\nZr O\n4 8\ndirect\n0.275400 0.039500 0.208300 Zr\n0.724600 0.539500 0.291700 Zr\n0.724600 0.960500 0.791700 Zr\n0.275400 0.460500 0.708300 Zr\n0.070000 0.331700 0.344700 O\n0.930000 0.831700 0.155300 O\n0.930000 0.668300 0.655300 O\n0.070000 0.168300 0.844700 O\n0.449600 0.756900 0.479200 O\n0.550400 0.256900 0.020800 O\n0.550400 0.243100 0.520800 O\n0.449600 0.743100 0.979200 O\n","nsites":12,"nelements":2,"elements":["Zr","O"],"chemical_system":"O-Zr","density":5.809628410527317,"density_atomic":0.08517839246530948,"volume":140.88079914031283,"volume_molar":7.070033356702091,"formula_full":"Zr4 O8","formula_reduced":"ZrO2","formula_anonymous":"AB2","mineral_name":"Baddeleyite","aflow_id":"A2B_mP12_14_2e_e","pearson_symbol":"mP12","strukturbericht_symbol":"C43","nsites_wyckoff":3,"spacegroup":14},{"id":10,"created_at":"2022-09-04T14:35:36.609945Z","updated_at":"2022-09-04T14:35:36.609964Z","structure_string":"La2 Cu1 O4\n1.0\n3.781700 -0.000000 -0.000000\n-0.000000 3.781700 0.000000\n-1.890850 -1.890850 6.624350\nCu La O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.360750 0.360750 0.721500 La\n0.639250 0.639250 0.278500 La\n1.000000 0.500000 1.000000 O\n0.500000 0.000000 0.000000 O\n0.182400 0.182400 0.364800 O\n0.817600 0.817600 0.635200 O\n","nsites":7,"nelements":3,"elements":["Cu","La","O"],"chemical_system":"Cu-La-O","density":7.105043175615439,"density_atomic":0.07388914180399714,"volume":94.73651783057149,"volume_molar":8.150237792685019,"formula_full":"La2 Cu1 O4","formula_reduced":"La2CuO4","formula_anonymous":"AB2C4","mineral_name":"(La,Ba)CuO4","aflow_id":"AB2C4_tI14_139_a_e_ce","pearson_symbol":"tI14","strukturbericht_symbol":"None","nsites_wyckoff":4,"spacegroup":139},{"id":189,"created_at":"2022-09-04T14:35:36.607744Z","updated_at":"2022-09-04T14:35:36.607765Z","structure_string":"P84\n1.0\n0.000000 -9.150000 -0.000000\n-8.848776 0.000000 2.554068\n-8.848776 0.000000 -20.045932\nP\n84\ndirect\n0.798730 0.880580 0.818530 P\n0.798730 0.619420 0.681470 P\n0.201270 0.119420 0.181470 P\n0.201270 0.380580 0.318530 P\n0.967380 0.943080 0.883050 P\n0.967380 0.556920 0.616950 P\n0.032620 0.056920 0.116950 P\n0.032620 0.443080 0.383050 P\n0.052310 0.130210 0.819650 P\n0.052310 0.369790 0.680350 P\n0.947690 0.869790 0.180350 P\n0.947690 0.630210 0.319650 P\n0.219010 0.192230 0.883660 P\n0.219010 0.307770 0.616340 P\n0.780990 0.807770 0.116340 P\n0.780990 0.692230 0.383660 P\n0.321280 0.379170 0.826200 P\n0.321280 0.120830 0.673800 P\n0.678720 0.620830 0.173800 P\n0.678720 0.879170 0.326200 P\n0.484680 0.419390 0.895980 P\n0.484680 0.080610 0.604020 P\n0.515320 0.580610 0.104020 P\n0.515320 0.919390 0.395980 P\n0.550680 0.606230 0.827760 P\n0.550680 0.893770 0.672240 P\n0.449320 0.393770 0.172240 P\n0.449320 0.106230 0.327760 P\n0.722590 0.692480 0.883280 P\n0.722590 0.807520 0.616720 P\n0.277410 0.307520 0.116720 P\n0.277410 0.192480 0.383280 P\n0.609330 0.031250 0.927550 P\n0.609330 0.468750 0.572450 P\n0.390670 0.968750 0.072450 P\n0.390670 0.531250 0.427550 P\n0.841190 0.045890 0.955030 P\n0.841190 0.454110 0.544970 P\n0.158810 0.954110 0.044970 P\n0.158810 0.545890 0.455030 P\n0.861220 0.284990 0.926540 P\n0.861220 0.215010 0.573460 P\n0.138780 0.715010 0.073460 P\n0.138780 0.784990 0.426540 P\n0.090810 0.296040 0.955360 P\n0.090810 0.203960 0.544640 P\n0.909190 0.703960 0.044640 P\n0.909190 0.796040 0.455360 P\n0.127360 0.532680 0.931580 P\n0.127360 0.967320 0.568420 P\n0.872640 0.467320 0.068420 P\n0.872640 0.032680 0.431580 P\n0.362850 0.524710 0.966960 P\n0.362850 0.975290 0.533040 P\n0.637150 0.475290 0.033040 P\n0.637150 0.024710 0.466960 P\n0.362850 0.761020 0.933830 P\n0.362850 0.738980 0.566170 P\n0.637150 0.238980 0.066170 P\n0.637150 0.261020 0.433830 P\n0.594450 0.793790 0.955800 P\n0.594450 0.706210 0.544200 P\n0.405550 0.206210 0.044200 P\n0.405550 0.293790 0.455800 P\n0.610950 0.026190 0.827810 P\n0.610950 0.473810 0.672190 P\n0.389050 0.973810 0.172190 P\n0.389050 0.526190 0.327810 P\n0.899450 0.313190 0.826430 P\n0.899450 0.186810 0.673570 P\n0.100550 0.686810 0.173570 P\n0.100550 0.813190 0.326430 P\n0.176160 0.573340 0.830600 P\n0.176160 0.926660 0.669400 P\n0.823840 0.426660 0.169400 P\n0.823840 0.073340 0.330600 P\n0.354190 0.748760 0.832680 P\n0.354190 0.751240 0.667320 P\n0.645810 0.251240 0.167320 P\n0.645810 0.248760 0.332680 P\n0.677040 0.254780 0.799400 P\n0.677040 0.245220 0.700600 P\n0.322960 0.745220 0.200600 P\n0.322960 0.754780 0.299400 P\n","nsites":84,"nelements":1,"elements":["P"],"chemical_system":"P","density":2.361074038278624,"density_atomic":0.045905693367854994,"volume":1829.8383890400003,"volume_molar":13.11850517482205,"formula_full":"P84","formula_reduced":"P","formula_anonymous":"A","mineral_name":"Hittorf","aflow_id":"A_mP84_13_21g","pearson_symbol":"mP84","strukturbericht_symbol":"None","nsites_wyckoff":21,"spacegroup":13},{"id":154,"created_at":"2022-09-04T14:35:36.598386Z","updated_at":"2022-09-04T14:35:36.598408Z","structure_string":"Cr6 Cl18\n1.0\n-3.008500 -5.210875 -0.000000\n-3.008500 5.210875 0.000000\n0.000000 0.000000 -17.300000\nCr Cl\n6 18\ndirect\n0.111100 0.222200 0.666670 Cr\n0.111100 0.888900 0.333337 Cr\n0.777800 0.888900 0.000003 Cr\n0.444400 0.888800 0.666670 Cr\n0.444400 0.555600 0.333337 Cr\n0.111200 0.555600 0.000003 Cr\n0.111100 0.222200 0.926900 Cl\n0.111100 0.888900 0.593567 Cl\n0.777800 0.888900 0.260233 Cl\n0.111100 0.888900 0.073100 Cl\n0.777800 0.888900 0.739767 Cl\n0.111100 0.222200 0.406433 Cl\n0.444400 0.888800 0.926900 Cl\n0.444400 0.555600 0.593567 Cl\n0.111200 0.555600 0.260233 Cl\n0.444400 0.555600 0.073100 Cl\n0.111200 0.555600 0.739767 Cl\n0.444400 0.888800 0.406433 Cl\n0.777800 0.555580 0.926900 Cl\n0.777780 0.222200 0.593567 Cl\n0.444420 0.222220 0.260233 Cl\n0.777800 0.222220 0.073100 Cl\n0.444420 0.222200 0.739767 Cl\n0.777780 0.555580 0.406433 Cl\n","nsites":24,"nelements":2,"elements":["Cr","Cl"],"chemical_system":"Cl-Cr","density":2.9086779107259777,"density_atomic":0.044246046537049624,"volume":542.4213433375,"volume_molar":13.610573670027973,"formula_full":"Cr6 Cl18","formula_reduced":"CrCl3","formula_anonymous":"AB3","mineral_name":"Chromium trichloride","aflow_id":"A3B_hP24_151_3c_2a","pearson_symbol":"hP24","strukturbericht_symbol":"D0_4","nsites_wyckoff":5,"spacegroup":151},{"id":225,"created_at":"2022-09-04T14:35:36.593508Z","updated_at":"2022-09-04T14:35:36.593542Z","structure_string":"Li3 N1\n1.0\n-1.828800 -3.167575 -0.000000\n-1.828800 3.167575 0.000000\n0.000000 0.000000 -3.873500\nLi N\n3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.666670 0.333340 1.000000 Li\n0.333340 0.666670 0.000000 Li\n0.000000 0.000000 0.000000 N\n","nsites":4,"nelements":2,"elements":["Li","N"],"chemical_system":"Li-N","density":1.2887603186433403,"density_atomic":0.08913193105257543,"volume":44.87729540651999,"volume_molar":6.75643474665412,"formula_full":"Li3 N1","formula_reduced":"Li3N","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"A3B_hP4_191_bc_a","pearson_symbol":"hP4","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":191},{"id":117,"created_at":"2022-09-04T14:35:36.593471Z","updated_at":"2022-09-04T14:35:36.593495Z","structure_string":"O2\n1.0\n1.997479 1.716500 -1.818841\n-1.997479 1.716500 1.818841\n1.997479 -1.716500 3.260159\nO\n2\ndirect\n0.106000 0.067000 0.173000 O\n0.894000 0.933000 0.827000 O\n","nsites":2,"nelements":1,"elements":["O"],"chemical_system":"O","density":1.5256276496209566,"density_atomic":0.05742430626486231,"volume":34.828457322153,"volume_molar":10.487093622382902,"formula_full":"O2","formula_reduced":"O","formula_anonymous":"A","mineral_name":"alpha oxygen","aflow_id":"A_mC4_12_i","pearson_symbol":"mC4","strukturbericht_symbol":"None","nsites_wyckoff":1,"spacegroup":12},{"id":9,"created_at":"2022-09-04T14:35:36.591028Z","updated_at":"2022-09-04T14:35:36.591055Z","structure_string":"Ba2 Y1 Cu3 O7\n1.0\n3.818700 0.000000 0.000000\n-0.000000 3.883300 0.000000\n0.000000 0.000000 11.668700\nBa Y Cu O\n2 1 3 7\ndirect\n0.500000 0.500000 0.184450 Ba\n0.500000 0.500000 0.815550 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.355400 Cu\n0.000000 0.000000 0.644600 Cu\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.157900 O\n0.000000 0.000000 0.842100 O\n0.000000 0.500000 0.377100 O\n0.000000 0.500000 0.622900 O\n0.500000 0.000000 0.378800 O\n0.500000 0.000000 0.621200 O\n","nsites":13,"nelements":4,"elements":["Ba","Y","Cu","O"],"chemical_system":"Ba-Cu-O-Y","density":6.3930871966235925,"density_atomic":0.07512844396373883,"volume":173.03699257067703,"volume_molar":8.015793276520702,"formula_full":"Ba2 Y1 Cu3 O7","formula_reduced":"Ba2YCu3O7","formula_anonymous":"AB2C3D7","mineral_name":null,"aflow_id":"A2B3C7D_oP13_47_t_aq_eqrs_h","pearson_symbol":"oP13","strukturbericht_symbol":"None","nsites_wyckoff":8,"spacegroup":47},{"id":153,"created_at":"2022-09-04T14:35:36.590557Z","updated_at":"2022-09-04T14:35:36.590572Z","structure_string":"B12\n1.0\n-2.454000 -4.250453 -0.000000\n2.454000 -4.250453 -0.000000\n-0.000000 -2.833635 4.188530\nB\n12\ndirect\n0.989600 0.342710 0.678090 B\n0.989600 0.989600 0.678090 B\n0.342710 0.989600 0.678090 B\n0.010400 0.657290 0.321910 B\n0.010400 0.010400 0.321910 B\n0.657290 0.010400 0.321910 B\n0.779400 0.367700 0.073500 B\n0.779400 0.779400 0.073500 B\n0.367700 0.779400 0.073500 B\n0.220600 0.632300 0.926500 B\n0.220600 0.220600 0.926500 B\n0.632300 0.220600 0.926500 B\n","nsites":12,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.4654421023313127,"density_atomic":0.1373345609194374,"volume":87.37785972927374,"volume_molar":4.38501475497685,"formula_full":"B12","formula_reduced":"B","formula_anonymous":"A","mineral_name":"alpha boron","aflow_id":"A_hR12_166_2h","pearson_symbol":"hR12","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":166},{"id":44,"created_at":"2022-09-04T14:35:36.580544Z","updated_at":"2022-09-04T14:35:36.580572Z","structure_string":"Hg4 Cl8\n1.0\n0.000000 0.000000 -4.325000\n0.000000 -5.963000 -0.000000\n-12.735000 0.000000 -0.000000\nHg Cl\n4 8\ndirect\n0.553000 0.750000 0.126000 Hg\n0.947000 0.750000 0.626000 Hg\n0.447000 0.250000 0.874000 Hg\n0.053000 0.250000 0.374000 Hg\n0.875000 0.750000 0.267000 Cl\n0.625000 0.750000 0.767000 Cl\n0.125000 0.250000 0.733000 Cl\n0.375000 0.250000 0.233000 Cl\n0.278000 0.750000 0.492000 Cl\n0.222000 0.750000 0.992000 Cl\n0.722000 0.250000 0.508000 Cl\n0.778000 0.250000 0.008000 Cl\n","nsites":12,"nelements":2,"elements":["Hg","Cl"],"chemical_system":"Cl-Hg","density":5.490636006730003,"density_atomic":0.03653687299910025,"volume":328.435331625,"volume_molar":16.48236498002525,"formula_full":"Hg4 Cl8","formula_reduced":"HgCl2","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"A2B_oP12_62_2c_c","pearson_symbol":"oP12","strukturbericht_symbol":"C25","nsites_wyckoff":3,"spacegroup":62},{"id":80,"created_at":"2022-09-04T14:35:36.575335Z","updated_at":"2022-09-04T14:35:36.575357Z","structure_string":"Ti2 Ni2\n1.0\n-2.856069 0.000000 -0.398243\n0.000000 -4.106200 -0.000000\n0.000000 0.000000 4.667400\nTi Ni\n2 2\ndirect\n0.411300 0.750000 0.718400 Ti\n0.588700 0.250000 0.281600 Ti\n0.961300 0.750000 0.825200 Ni\n0.038700 0.250000 0.174800 Ni\n","nsites":4,"nelements":2,"elements":["Ti","Ni"],"chemical_system":"Ni-Ti","density":6.465336289071342,"density_atomic":0.07307623696416087,"volume":54.73735602945373,"volume_molar":8.240901570990127,"formula_full":"Ti2 Ni2","formula_reduced":"TiNi","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_mP4_11_e_e","pearson_symbol":"mP4","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":11},{"id":43,"created_at":"2022-09-04T14:35:36.570836Z","updated_at":"2022-09-04T14:35:36.570861Z","structure_string":"In16 S24\n1.0\n7.593700 -0.000000 -0.000000\n-0.000000 7.593700 0.000000\n-3.796850 -3.796850 16.176000\nIn S\n16 24\ndirect\n0.000000 0.000000 0.000000 In\n1.000000 0.500000 1.000000 In\n1.000000 1.000000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.204400 0.454400 0.408800 In\n0.795600 0.545600 0.591200 In\n0.545600 0.795600 0.091200 In\n0.454400 0.204400 0.908800 In\n0.332400 0.852500 0.664800 In\n0.667600 0.147500 0.335200 In\n0.667600 0.687700 0.335200 In\n0.332400 0.312300 0.664800 In\n0.147500 0.667600 0.835200 In\n0.312300 0.332400 0.164800 In\n0.852500 0.332400 0.164800 In\n0.687700 0.667600 0.835200 In\n0.254700 0.770700 0.509400 S\n0.745300 0.229300 0.490600 S\n0.745300 0.761300 0.490600 S\n0.254700 0.238700 0.509400 S\n0.229300 0.745300 0.990600 S\n0.238700 0.254700 0.009400 S\n0.770700 0.254700 0.009400 S\n0.761300 0.745300 0.990600 S\n0.085900 0.579900 0.171800 S\n0.914100 0.420100 0.828200 S\n0.914100 0.908100 0.828200 S\n0.085900 0.091900 0.171800 S\n0.420100 0.914100 0.328200 S\n0.091900 0.085900 0.671800 S\n0.579900 0.085900 0.671800 S\n0.908100 0.914100 0.328200 S\n0.416400 0.883100 0.832800 S\n0.583600 0.116900 0.167200 S\n0.583600 0.550300 0.167200 S\n0.416400 0.449700 0.832800 S\n0.116900 0.583600 0.667200 S\n0.449700 0.416400 0.332800 S\n0.883100 0.416400 0.332800 S\n0.550300 0.583600 0.667200 S\n","nsites":40,"nelements":2,"elements":["In","S"],"chemical_system":"In-S","density":4.640379249462483,"density_atomic":0.042882686162003344,"volume":932.7773882654399,"volume_molar":14.043291824699129,"formula_full":"In16 S24","formula_reduced":"In2S3","formula_anonymous":"A2B3","mineral_name":"beta indium sulfide","aflow_id":"A2B3_tI80_141_ceh_3h","pearson_symbol":"tI80","strukturbericht_symbol":"None","nsites_wyckoff":6,"spacegroup":141},{"id":79,"created_at":"2022-09-04T14:35:36.567455Z","updated_at":"2022-09-04T14:35:36.567479Z","structure_string":"Ge6 S12\n1.0\n-5.830000 0.000000 -3.430000\n5.830000 0.000000 -3.430000\n0.000000 -11.170000 3.430000\nGe S\n6 12\ndirect\n0.000000 0.000000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.736110 0.986110 0.722220 Ge\n0.263890 0.013890 0.277780 Ge\n0.236110 0.486110 0.222220 Ge\n0.263890 0.013890 0.777780 Ge\n0.713890 0.758330 0.838880 S\n0.919450 0.875010 0.161120 S\n0.008330 0.463890 0.338880 S\n0.125010 0.669450 0.661120 S\n0.044440 0.350000 0.027780 S\n0.322220 0.016660 0.972220 S\n0.600000 0.794440 0.527780 S\n0.266660 0.072220 0.472220 S\n0.534720 0.659720 0.750000 S\n0.909720 0.784720 0.250000 S\n0.909720 0.284720 0.250000 S\n0.034720 0.659720 0.750000 S\n","nsites":18,"nelements":2,"elements":["Ge","S"],"chemical_system":"Ge-S","density":3.05031964115873,"density_atomic":0.040292727019957564,"volume":446.730746,"volume_molar":14.94597463462115,"formula_full":"Ge6 S12","formula_reduced":"GeS2","formula_anonymous":"AB2","mineral_name":"Germanium disuphide","aflow_id":"AB2_oF72_43_ab_3b","pearson_symbol":"oF72","strukturbericht_symbol":"C44","nsites_wyckoff":5,"spacegroup":43}]}