{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=spacegroup&page=19","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=spacegroup&page=17","results":[{"id":116,"created_at":"2022-09-04T14:35:36.561451Z","updated_at":"2022-09-04T14:35:36.561472Z","structure_string":"Mg4 Zn8\n1.0\n-2.611500 -4.523251 -0.000000\n-2.611500 4.523251 0.000000\n0.000000 0.000000 -8.566000\nMg Zn\n4 8\ndirect\n0.666670 0.333340 0.937140 Mg\n0.333340 0.666670 0.437140 Mg\n0.333340 0.666670 0.062860 Mg\n0.666670 0.333330 0.562860 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.169520 0.339040 0.750000 Zn\n0.339040 0.169520 0.250000 Zn\n0.169520 0.830480 0.750000 Zn\n0.830480 0.660960 0.250000 Zn\n0.660960 0.830480 0.750000 Zn\n0.830480 0.169520 0.250000 Zn\n","nsites":12,"nelements":2,"elements":["Mg","Zn"],"chemical_system":"Mg-Zn","density":5.091391582382087,"density_atomic":0.059296964571301236,"volume":202.371235808718,"volume_molar":10.155900565127101,"formula_full":"Mg4 Zn8","formula_reduced":"MgZn2","formula_anonymous":"AB2","mineral_name":"Hexagonal Laves","aflow_id":"AB2_hP12_194_f_ah","pearson_symbol":"hP12","strukturbericht_symbol":"C14","nsites_wyckoff":3,"spacegroup":194},{"id":226,"created_at":"2022-09-04T14:35:36.614604Z","updated_at":"2022-09-04T14:35:36.614617Z","structure_string":"Ni2 As2\n1.0\n-1.809500 -3.134146 -0.000000\n-1.809500 3.134146 0.000000\n0.000000 0.000000 -5.044000\nNi As\n2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.666670 0.333340 0.750000 As\n0.333340 0.666670 0.250000 As\n","nsites":4,"nelements":2,"elements":["Ni","As"],"chemical_system":"As-Ni","density":7.756243314428873,"density_atomic":0.06991608580539806,"volume":57.211440742456,"volume_molar":8.613383730836723,"formula_full":"Ni2 As2","formula_reduced":"NiAs","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_hP4_194_c_a","pearson_symbol":"hP4","strukturbericht_symbol":"B8_1","nsites_wyckoff":2,"spacegroup":194},{"id":262,"created_at":"2022-09-04T14:35:36.627790Z","updated_at":"2022-09-04T14:35:36.627813Z","structure_string":"Cu6 S6\n1.0\n-1.988000 -3.443317 -0.000000\n-1.988000 3.443317 0.000000\n0.000000 0.000000 -16.382000\nCu S\n6 6\ndirect\n0.666670 0.333340 0.250000 Cu\n0.333340 0.666670 0.750000 Cu\n0.666670 0.333340 0.892760 Cu\n0.333340 0.666670 0.392760 Cu\n0.333340 0.666670 0.107240 Cu\n0.666670 0.333330 0.607240 Cu\n0.666670 0.333340 0.750000 S\n0.333340 0.666670 0.250000 S\n0.000000 0.000000 0.936300 S\n0.000000 0.000000 0.436300 S\n0.000000 0.000000 0.063700 S\n0.000000 0.000000 0.563700 S\n","nsites":12,"nelements":2,"elements":["Cu","S"],"chemical_system":"Cu-S","density":4.2473485731964775,"density_atomic":0.05350457786952048,"volume":224.279874317744,"volume_molar":11.255374773138026,"formula_full":"Cu6 S6","formula_reduced":"CuS","formula_anonymous":"AB","mineral_name":"Covellite","aflow_id":"AB_hP12_194_df_ce","pearson_symbol":"hP12","strukturbericht_symbol":"B18","nsites_wyckoff":4,"spacegroup":194},{"id":263,"created_at":"2022-09-04T14:35:36.642622Z","updated_at":"2022-09-04T14:35:36.642646Z","structure_string":"Al2 Cr4 C2\n1.0\n-1.430000 -2.476833 -0.000000\n-1.430000 2.476833 0.000000\n0.000000 0.000000 -12.820000\nAl Cr C\n2 4 2\ndirect\n0.666670 0.333340 0.250000 Al\n0.333340 0.666670 0.750000 Al\n0.666670 0.333340 0.914000 Cr\n0.333340 0.666670 0.414000 Cr\n0.333340 0.666670 0.086000 Cr\n0.666670 0.333330 0.586000 Cr\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":8,"nelements":3,"elements":["Al","Cr","C"],"chemical_system":"Al-C-Cr","density":5.228981243553344,"density_atomic":0.08809255440461683,"volume":90.8135773116,"volume_molar":6.83615181861997,"formula_full":"Al2 Cr4 C2","formula_reduced":"AlCr2C","formula_anonymous":"ABC2","mineral_name":"H-Phase","aflow_id":"ABC2_hP8_194_d_a_f","pearson_symbol":"hP8","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":194},{"id":48,"created_at":"2022-09-04T14:35:36.664389Z","updated_at":"2022-09-04T14:35:36.664412Z","structure_string":"Mg2\n1.0\n-1.604650 -2.779335 -0.000000\n-1.604650 2.779335 0.000000\n0.000000 0.000000 -5.210600\nMg\n2\ndirect\n0.666670 0.333340 0.750000 Mg\n0.333340 0.666670 0.250000 Mg\n","nsites":2,"nelements":1,"elements":["Mg"],"chemical_system":"Mg","density":1.7367438544721114,"density_atomic":0.0430319521057823,"volume":46.477092070644304,"volume_molar":13.994579528244994,"formula_full":"Mg2","formula_reduced":"Mg","formula_anonymous":"A","mineral_name":"Magnesium","aflow_id":"A_hP2_194_c","pearson_symbol":"hP2","strukturbericht_symbol":"A3","nsites_wyckoff":1,"spacegroup":194},{"id":49,"created_at":"2022-09-04T14:35:36.693884Z","updated_at":"2022-09-04T14:35:36.693903Z","structure_string":"Ni6 Sn2\n1.0\n0.000000 0.000000 -4.247000\n-2.647500 -4.585605 -0.000000\n-2.647500 4.585605 0.000000\nNi Sn\n6 2\ndirect\n0.750000 0.160800 0.839200 Ni\n0.250000 0.839200 0.678400 Ni\n0.750000 0.678400 0.839200 Ni\n0.250000 0.839200 0.160800 Ni\n0.750000 0.160800 0.321600 Ni\n0.250000 0.321600 0.160800 Ni\n0.750000 0.666670 0.333340 Sn\n0.250000 0.333340 0.666670 Sn\n","nsites":8,"nelements":2,"elements":["Ni","Sn"],"chemical_system":"Ni-Sn","density":9.493957148731027,"density_atomic":0.07757916828826006,"volume":103.120466183325,"volume_molar":7.762574532410039,"formula_full":"Ni6 Sn2","formula_reduced":"Ni3Sn","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"A3B_hP8_194_h_c","pearson_symbol":"hP8","strukturbericht_symbol":"D0_19","nsites_wyckoff":2,"spacegroup":194},{"id":236,"created_at":"2022-09-04T14:35:36.803500Z","updated_at":"2022-09-04T14:35:36.803519Z","structure_string":"Ti8 Al2 N6\n1.0\n-1.494000 -2.587684 -0.000000\n-1.494000 2.587684 0.000000\n0.000000 0.000000 -23.372000\nTi Al N\n8 2 6\ndirect\n0.000000 0.000000 0.845700 Ti\n0.000000 0.000000 0.345700 Ti\n0.000000 0.000000 0.154300 Ti\n0.000000 0.000000 0.654300 Ti\n0.666670 0.333340 0.946100 Ti\n0.333340 0.666670 0.446100 Ti\n0.333340 0.666670 0.053900 Ti\n0.666670 0.333330 0.553900 Ti\n0.666670 0.333340 0.750000 Al\n0.333340 0.666670 0.250000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.666670 0.333340 0.395000 N\n0.333340 0.666670 0.895000 N\n0.333340 0.666670 0.605000 N\n0.666670 0.333330 0.105000 N\n","nsites":16,"nelements":3,"elements":["Ti","Al","N"],"chemical_system":"Al-N-Ti","density":4.78683534679284,"density_atomic":0.08853852270301998,"volume":180.712299138624,"volume_molar":6.801718140475128,"formula_full":"Ti8 Al2 N6","formula_reduced":"Ti4AlN3","formula_anonymous":"AB3C4","mineral_name":"MAX Phase","aflow_id":"AB3C4_hP16_194_c_af_ef","pearson_symbol":"hP16","strukturbericht_symbol":"None","nsites_wyckoff":5,"spacegroup":194},{"id":237,"created_at":"2022-09-04T14:35:36.812518Z","updated_at":"2022-09-04T14:35:36.812537Z","structure_string":"Mo2 S4\n1.0\n-1.580500 -2.737506 -0.000000\n-1.580500 2.737506 0.000000\n0.000000 0.000000 -12.295000\nMo S\n2 4\ndirect\n0.666670 0.333340 0.750000 Mo\n0.333340 0.666670 0.250000 Mo\n0.666670 0.333340 0.372500 S\n0.333340 0.666670 0.872500 S\n0.333340 0.666670 0.627500 S\n0.666670 0.333330 0.127500 S\n","nsites":6,"nelements":2,"elements":["Mo","S"],"chemical_system":"Mo-S","density":4.996673009525922,"density_atomic":0.05639532992838749,"volume":106.39178824947,"volume_molar":10.67843874244037,"formula_full":"Mo2 S4","formula_reduced":"MoS2","formula_anonymous":"AB2","mineral_name":"Molybdenite","aflow_id":"AB2_hP6_194_c_f","pearson_symbol":"hP6","strukturbericht_symbol":"C7","nsites_wyckoff":2,"spacegroup":194},{"id":166,"created_at":"2022-09-04T14:35:36.865023Z","updated_at":"2022-09-04T14:35:36.865046Z","structure_string":"C6\n1.0\n0.000000 0.000000 -2.505660\n-2.202225 -3.814366 -0.000000\n-2.202225 3.814366 0.000000\nC\n6\ndirect\n0.750000 0.552010 0.447990 C\n0.250000 0.447990 0.895980 C\n0.750000 0.895980 0.447990 C\n0.250000 0.447990 0.552010 C\n0.750000 0.552010 0.104020 C\n0.250000 0.104020 0.552010 C\n","nsites":6,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.8427094974860307,"density_atomic":0.14253288101081346,"volume":42.095549865050444,"volume_molar":4.225088777615547,"formula_full":"C6","formula_reduced":"C","formula_anonymous":"A","mineral_name":"Theoretical Carbon Structure","aflow_id":"A_hP6_194_h","pearson_symbol":"hP6","strukturbericht_symbol":"None","nsites_wyckoff":1,"spacegroup":194},{"id":275,"created_at":"2022-09-04T14:35:36.882557Z","updated_at":"2022-09-04T14:35:36.882580Z","structure_string":"B2 N2\n1.0\n-1.251995 -2.168519 -0.000000\n-1.251995 2.168519 0.000000\n0.000000 0.000000 -6.661200\nB N\n2 2\ndirect\n0.666670 0.333340 0.750000 B\n0.333340 0.666670 0.250000 B\n0.666670 0.333340 0.250000 N\n0.333340 0.666670 0.750000 N\n","nsites":4,"nelements":2,"elements":["B","N"],"chemical_system":"B-N","density":2.2787271583855198,"density_atomic":0.110588940201346,"volume":36.16998221266357,"volume_molar":5.445518104283907,"formula_full":"B2 N2","formula_reduced":"BN","formula_anonymous":"AB","mineral_name":"Boron Nitride","aflow_id":"AB_hP4_194_c_d","pearson_symbol":"hP4","strukturbericht_symbol":"B_k","nsites_wyckoff":2,"spacegroup":194},{"id":128,"created_at":"2022-09-04T14:35:36.913370Z","updated_at":"2022-09-04T14:35:36.913393Z","structure_string":"Mg8 Ni16\n1.0\n-2.412000 -4.177707 -0.000000\n-2.412000 4.177707 0.000000\n0.000000 0.000000 -15.826000\nMg Ni\n8 16\ndirect\n0.000000 0.000000 0.954020 Mg\n0.000000 0.000000 0.454020 Mg\n0.000000 0.000000 0.045980 Mg\n0.000000 0.000000 0.545980 Mg\n0.666670 0.333340 0.155830 Mg\n0.333340 0.666670 0.655830 Mg\n0.333340 0.666670 0.844170 Mg\n0.666670 0.333330 0.344170 Mg\n0.666670 0.333340 0.874860 Ni\n0.333340 0.666670 0.374860 Ni\n0.333340 0.666670 0.125140 Ni\n0.666670 0.333330 0.625140 Ni\n0.500000 0.500000 1.000000 Ni\n0.500000 1.000000 0.500000 Ni\n1.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 1.000000 1.000000 Ni\n1.000000 0.500000 0.500000 Ni\n0.835710 0.164290 0.750000 Ni\n0.164290 0.328580 0.250000 Ni\n0.328580 0.164290 0.750000 Ni\n0.164290 0.835710 0.250000 Ni\n0.835710 0.671420 0.750000 Ni\n0.671420 0.835710 0.250000 Ni\n","nsites":24,"nelements":2,"elements":["Mg","Ni"],"chemical_system":"Mg-Ni","density":5.901567292871561,"density_atomic":0.0752479726164109,"volume":318.94547009716797,"volume_molar":8.003060482039652,"formula_full":"Mg8 Ni16","formula_reduced":"MgNi2","formula_anonymous":"AB2","mineral_name":"Hexagonal Laves","aflow_id":"AB2_hP24_194_ef_fgh","pearson_symbol":"hP24","strukturbericht_symbol":"C36","nsites_wyckoff":5,"spacegroup":194},{"id":132,"created_at":"2022-09-04T14:35:36.979876Z","updated_at":"2022-09-04T14:35:36.979897Z","structure_string":"Ca2 In4\n1.0\n-2.447500 -4.239194 -0.000000\n-2.447500 4.239194 0.000000\n0.000000 0.000000 -7.750000\nCa In\n2 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.666670 0.333340 0.955000 In\n0.333340 0.666670 0.455000 In\n0.333340 0.666670 0.045000 In\n0.666670 0.333330 0.545000 In\n","nsites":6,"nelements":2,"elements":["Ca","In"],"chemical_system":"Ca-In","density":5.569867866319793,"density_atomic":0.037308995807229406,"volume":160.81912338249998,"volume_molar":16.14125663182037,"formula_full":"Ca2 In4","formula_reduced":"CaIn2","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"AB2_hP6_194_b_f","pearson_symbol":"hP6","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":194}]}