HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 288,
"next": null,
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=elements&page=23",
"results": [
{
"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": 265,
"created_at": "2022-09-04T14:35:36.683213Z",
"updated_at": "2022-09-04T14:35:36.683236Z",
"structure_string": "V1 Cu3 S4\n1.0\n5.391200 0.000000 0.000000\n-0.000000 5.391200 0.000000\n0.000000 0.000000 5.391200\nV Cu S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.237200 0.237200 0.237200 S\n0.237200 0.762800 0.762800 S\n0.762800 0.237200 0.762800 S\n0.762800 0.762800 0.237200 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Cu",
"S"
],
"chemical_system": "Cu-S-V",
"density": 3.9192779184645645,
"density_atomic": 0.05105445645629504,
"volume": 156.69542984652804,
"volume_molar": 11.795524187306214,
"formula_full": "V1 Cu3 S4",
"formula_reduced": "VCu3S4",
"formula_anonymous": "AB3C4",
"mineral_name": "Sulvanite",
"aflow_id": "A3B4C_cP8_215_d_e_a",
"pearson_symbol": "cP8",
"strukturbericht_symbol": "H2_4",
"nsites_wyckoff": 3,
"spacegroup": 215
},
{
"id": 131,
"created_at": "2022-09-04T14:35:36.958571Z",
"updated_at": "2022-09-04T14:35:36.958594Z",
"structure_string": "Zr1 Pb1 O3\n1.0\n4.046000 0.000000 0.000000\n-0.000000 4.046000 0.000000\n0.000000 0.000000 4.139400\nZr Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.451700 Zr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.897300 O\n0.500000 0.000000 0.378500 O\n0.000000 0.500000 0.378500 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Zr",
"density": 8.489178405998235,
"density_atomic": 0.07378716969544796,
"volume": 67.76245817040001,
"volume_molar": 8.161501226915219,
"formula_full": "Zr1 Pb1 O3",
"formula_reduced": "ZrPbO3",
"formula_anonymous": "ABC3",
"mineral_name": "Pb(Zr_(1-x)Ti_x)O3",
"aflow_id": "A3BC_tP5_99_bc_a_b",
"pearson_symbol": "tP5",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 4,
"spacegroup": 99
},
{
"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": 121,
"created_at": "2022-09-04T14:35:36.689230Z",
"updated_at": "2022-09-04T14:35:36.689252Z",
"structure_string": "Ca2 Fe2 Si4 O12\n1.0\n-0.000000 -0.000000 5.370000\n-4.709824 4.411000 1.333634\n-4.709824 -4.411000 1.333634\nCa Fe O Si\n2 2 12 4\ndirect\n0.250000 0.308200 0.691800 Ca\n0.750000 0.691800 0.308200 Ca\n0.250000 0.905800 0.094200 Fe\n0.750000 0.094200 0.905800 Fe\n0.865900 0.023500 0.198900 O\n0.634100 0.801100 0.976500 O\n0.134100 0.976500 0.801100 O\n0.365900 0.198900 0.023500 O\n0.679900 0.104600 0.622400 O\n0.820100 0.377600 0.895400 O\n0.320100 0.895400 0.377600 O\n0.179900 0.622400 0.104600 O\n0.012400 0.333400 0.373000 O\n0.487600 0.627000 0.666600 O\n0.987600 0.666600 0.627000 O\n0.512400 0.373000 0.333400 O\n0.776400 0.194000 0.382600 Si\n0.723600 0.617400 0.806000 Si\n0.223600 0.806000 0.617400 Si\n0.276400 0.382600 0.194000 Si\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"O",
"Si"
],
"chemical_system": "Ca-Fe-O-Si",
"density": 3.6926915694634683,
"density_atomic": 0.0896363116922673,
"volume": 223.12386155136,
"volume_molar": 6.718416505885209,
"formula_full": "Ca2 Fe2 Si4 O12",
"formula_reduced": "CaFe(SiO3)2",
"formula_anonymous": "ABC2D6",
"mineral_name": "Esseneite",
"aflow_id": "ABC6D2_mC40_15_e_e_3f_f",
"pearson_symbol": "mC40",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 6,
"spacegroup": 15
},
{
"id": 3,
"created_at": "2022-09-04T14:35:36.480015Z",
"updated_at": "2022-09-04T14:35:36.480039Z",
"structure_string": "Cr1 Fe11 Ni3 Mo1\n1.0\n5.740000 0.000000 0.000000\n-0.000000 5.740000 0.000000\n0.000000 0.000000 5.740000\nCr Fe Ni Mo\n1 11 3 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.245000 0.245000 0.245000 Fe\n0.245000 0.755000 0.755000 Fe\n0.755000 0.245000 0.755000 Fe\n0.755000 0.755000 0.245000 Fe\n0.755000 0.755000 0.755000 Fe\n0.755000 0.245000 0.245000 Fe\n0.245000 0.755000 0.245000 Fe\n0.245000 0.245000 0.755000 Fe\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Ni",
"Mo"
],
"chemical_system": "Cr-Fe-Mo-Ni",
"density": 8.238731829199088,
"density_atomic": 0.08460271600945232,
"volume": 189.119224,
"volume_molar": 7.118141170937315,
"formula_full": "Cr1 Fe11 Ni3 Mo1",
"formula_reduced": "CrFe11Ni3Mo",
"formula_anonymous": "ABC3D11",
"mineral_name": null,
"aflow_id": "AB11CD3_cP16_221_a_dg_b_c",
"pearson_symbol": "cP16",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 5,
"spacegroup": 221
},
{
"id": 68,
"created_at": "2022-09-04T14:35:37.056535Z",
"updated_at": "2022-09-04T14:35:37.056561Z",
"structure_string": "Cr1 Fe27 Ni3 Mo1\n1.0\n7.040000 0.000000 0.000000\n-0.000000 7.040000 0.000000\n0.000000 0.000000 7.040000\nCr Fe Ni Mo\n1 27 3 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.245000 0.245000 Fe\n0.000000 0.755000 0.755000 Fe\n0.000000 0.245000 0.755000 Fe\n0.000000 0.755000 0.245000 Fe\n0.245000 0.245000 0.000000 Fe\n0.245000 0.755000 0.000000 Fe\n0.755000 0.245000 0.000000 Fe\n0.755000 0.755000 0.000000 Fe\n0.245000 0.000000 0.245000 Fe\n0.245000 0.000000 0.755000 Fe\n0.755000 0.000000 0.755000 Fe\n0.755000 0.000000 0.245000 Fe\n0.500000 0.260000 0.260000 Fe\n0.500000 0.740000 0.740000 Fe\n0.500000 0.260000 0.740000 Fe\n0.500000 0.740000 0.260000 Fe\n0.260000 0.260000 0.500000 Fe\n0.260000 0.740000 0.500000 Fe\n0.740000 0.260000 0.500000 Fe\n0.740000 0.740000 0.500000 Fe\n0.260000 0.500000 0.260000 Fe\n0.260000 0.500000 0.740000 Fe\n0.740000 0.500000 0.740000 Fe\n0.740000 0.500000 0.260000 Fe\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Ni",
"Mo"
],
"chemical_system": "Cr-Fe-Mo-Ni",
"density": 8.717994595564663,
"density_atomic": 0.09171323253193088,
"volume": 348.913664,
"volume_molar": 6.566272492797951,
"formula_full": "Cr1 Fe27 Ni3 Mo1",
"formula_reduced": "CrFe27Ni3Mo",
"formula_anonymous": "ABC3D27",
"mineral_name": null,
"aflow_id": "AB27CD3_cP32_221_a_dij_b_c",
"pearson_symbol": "cP32",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 6,
"spacegroup": 221
},
{
"id": 15,
"created_at": "2022-09-04T14:35:36.709357Z",
"updated_at": "2022-09-04T14:35:36.709388Z",
"structure_string": "Fe1 Cu2 Sn1 S4\n1.0\n5.460000 -0.000000 -0.000000\n-0.000000 5.460000 0.000000\n-2.730000 -2.730000 5.362500\nCu Fe S Sn\n2 1 4 1\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Fe\n0.377000 0.377000 0.264000 S\n0.113000 0.623000 0.736000 S\n0.623000 0.113000 0.736000 S\n0.887000 0.887000 0.264000 S\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cu",
"Fe",
"S",
"Sn"
],
"chemical_system": "Cu-Fe-S-Sn",
"density": 4.46550956012965,
"density_atomic": 0.05004231546919628,
"volume": 159.864705,
"volume_molar": 12.034096950823447,
"formula_full": "Fe1 Cu2 Sn1 S4",
"formula_reduced": "FeCu2SnS4",
"formula_anonymous": "ABC2D4",
"mineral_name": "Stannite",
"aflow_id": "A2BC4D_tI16_121_d_a_i_b",
"pearson_symbol": "tI16",
"strukturbericht_symbol": "H2_6",
"nsites_wyckoff": 4,
"spacegroup": 121
},
{
"id": 170,
"created_at": "2022-09-04T14:35:36.997209Z",
"updated_at": "2022-09-04T14:35:36.997233Z",
"structure_string": "K6 Ag6 C12 N12\n1.0\n-3.692000 -6.394732 -0.000000\n-3.692000 6.394732 0.000000\n0.000000 0.000000 -17.553000\nK Ag C N\n6 6 12 12\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.666670 0.333340 0.990000 K\n0.666670 0.333330 0.510000 K\n0.333330 0.666660 0.010000 K\n0.333330 0.666670 0.490000 K\n0.167000 0.334000 0.750000 Ag\n0.167000 0.833000 0.750000 Ag\n0.666000 0.833000 0.750000 Ag\n0.833000 0.666000 0.250000 Ag\n0.833000 0.167000 0.250000 Ag\n0.334000 0.167000 0.250000 Ag\n0.666670 0.705000 0.859000 C\n0.038330 0.333330 0.859000 C\n0.295000 0.961670 0.859000 C\n0.666670 0.961670 0.641000 C\n0.295000 0.333330 0.641000 C\n0.038330 0.705000 0.641000 C\n0.333330 0.295000 0.141000 C\n0.961670 0.666670 0.141000 C\n0.705000 0.038330 0.141000 C\n0.333330 0.038330 0.359000 C\n0.705000 0.666670 0.359000 C\n0.961670 0.295000 0.359000 C\n0.968330 0.333330 0.917000 N\n0.365000 0.031670 0.917000 N\n0.666670 0.635000 0.917000 N\n0.968330 0.635000 0.583000 N\n0.666670 0.031670 0.583000 N\n0.365000 0.333330 0.583000 N\n0.031670 0.666670 0.083000 N\n0.635000 0.968330 0.083000 N\n0.333330 0.365000 0.083000 N\n0.031670 0.365000 0.417000 N\n0.333330 0.968330 0.417000 N\n0.635000 0.666670 0.417000 N\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-K-N",
"density": 2.3921635705213067,
"density_atomic": 0.04343472855986935,
"volume": 828.8298601976641,
"volume_molar": 13.864805789448486,
"formula_full": "K6 Ag6 C12 N12",
"formula_reduced": "KAg(CN)2",
"formula_anonymous": "ABC2D2",
"mineral_name": "Potassium Silver Cyanide",
"aflow_id": "AB2CD2_hP36_163_h_i_bf_i",
"pearson_symbol": "hP36",
"strukturbericht_symbol": "F5_10",
"nsites_wyckoff": 5,
"spacegroup": 163
},
{
"id": 55,
"created_at": "2022-09-04T14:35:36.787653Z",
"updated_at": "2022-09-04T14:35:36.787683Z",
"structure_string": "K4 C4 S4 N4\n1.0\n0.000000 -6.691000 -0.000000\n-6.707000 0.000000 -0.000000\n0.000000 0.000000 -7.621000\nK C S N\n4 4 4 4\ndirect\n0.750000 0.792000 1.000000 K\n0.250000 0.208000 0.500000 K\n0.250000 0.208000 0.000000 K\n0.750000 0.792000 0.500000 K\n0.712900 0.229600 0.750000 C\n0.787100 0.229600 0.250000 C\n0.212900 0.770400 0.750000 C\n0.287100 0.770400 0.250000 C\n0.891300 0.395000 0.750000 S\n0.608700 0.395000 0.250000 S\n0.391300 0.605000 0.750000 S\n0.108700 0.605000 0.250000 S\n0.584600 0.111000 0.750000 N\n0.915400 0.111000 0.250000 N\n0.084600 0.889000 0.750000 N\n0.415400 0.889000 0.250000 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"C",
"S",
"N"
],
"chemical_system": "C-K-N-S",
"density": 1.8873733303967444,
"density_atomic": 0.04678306645762806,
"volume": 342.00408847700004,
"volume_molar": 12.872479758149927,
"formula_full": "K4 C4 S4 N4",
"formula_reduced": "KCSN",
"formula_anonymous": "ABCD",
"mineral_name": "Potassium thiocyanate",
"aflow_id": "ABCD_oP16_57_d_c_d_d",
"pearson_symbol": "oP16",
"strukturbericht_symbol": "F5_9",
"nsites_wyckoff": 4,
"spacegroup": 57
},
{
"id": 60,
"created_at": "2022-09-04T14:35:36.879491Z",
"updated_at": "2022-09-04T14:35:36.879514Z",
"structure_string": "Zr2 Cu2 Si2 As2\n1.0\n3.673600 0.000000 0.000000\n-0.000000 3.673600 0.000000\n0.000000 0.000000 9.571200\nZr Cu Si As\n2 2 2 2\ndirect\n0.250000 0.250000 0.224600 Zr\n0.750000 0.750000 0.775400 Zr\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.000000 Si\n0.250000 0.750000 0.000000 Si\n0.250000 0.250000 0.679300 As\n0.750000 0.750000 0.320700 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zr",
"Cu",
"Si",
"As"
],
"chemical_system": "As-Cu-Si-Zr",
"density": 6.627859638436002,
"density_atomic": 0.06193553064873132,
"volume": 129.16656911155198,
"volume_molar": 9.723240758450428,
"formula_full": "Zr2 Cu2 Si2 As2",
"formula_reduced": "ZrCuSiAs",
"formula_anonymous": "ABCD",
"mineral_name": "Parent of FeAs superconductors",
"aflow_id": "ABCD_tP8_129_c_b_a_c",
"pearson_symbol": "tP8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 4,
"spacegroup": 129
},
{
"id": 210,
"created_at": "2022-09-04T14:35:37.127324Z",
"updated_at": "2022-09-04T14:35:37.127345Z",
"structure_string": "Cr8 Fe8 Ni8 Pd2 Rh4\n1.0\n-0.000000 -0.000000 4.558200\n8.796600 -0.000000 0.000000\n-0.000000 8.796600 0.000000\nCr Fe Ni Pd Rh\n8 8 8 2 4\ndirect\n1.000000 0.066090 0.739330 Cr\n0.500000 0.566090 0.760670 Cr\n0.500000 0.433910 0.239330 Cr\n1.000000 0.933910 0.260670 Cr\n1.000000 0.260670 0.933910 Cr\n0.500000 0.760670 0.566090 Cr\n0.500000 0.239330 0.433910 Cr\n1.000000 0.739330 0.066090 Cr\n0.252020 0.182670 0.182670 Fe\n0.247980 0.682670 0.317330 Fe\n0.247980 0.317330 0.682670 Fe\n0.252020 0.817330 0.817330 Fe\n0.747980 0.817330 0.817330 Fe\n0.752020 0.317330 0.682670 Fe\n0.752020 0.682670 0.317330 Fe\n0.747980 0.182670 0.182670 Fe\n1.000000 0.131220 0.463490 Ni\n0.500000 0.631220 0.036510 Ni\n0.500000 0.368780 0.963490 Ni\n0.000000 0.868780 0.536510 Ni\n1.000000 0.536510 0.868780 Ni\n0.500000 0.036510 0.631220 Ni\n0.500000 0.963490 0.368780 Ni\n1.000000 0.463490 0.131220 Ni\n0.500000 0.000000 0.000000 Pd\n1.000000 0.500000 0.500000 Pd\n1.000000 0.398640 0.398640 Rh\n0.500000 0.898640 0.101360 Rh\n0.500000 0.101360 0.898640 Rh\n1.000000 0.601360 0.601360 Rh\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Cr",
"Fe",
"Ni",
"Pd",
"Rh"
],
"chemical_system": "Cr-Fe-Ni-Pd-Rh",
"density": 9.212101438702115,
"density_atomic": 0.08505467504351757,
"volume": 352.71429800479194,
"volume_molar": 7.080317168831481,
"formula_full": "Cr8 Fe8 Ni8 Pd2 Rh4",
"formula_reduced": "Cr4Fe4Ni4PdRh2",
"formula_anonymous": "AB2C4D4E4",
"mineral_name": "sigma phase CrFe, different elements used to distinguish Wyckoff positions",
"aflow_id": "sigma_tP30_136_bf2ij",
"pearson_symbol": "tP30",
"strukturbericht_symbol": "D8_b",
"nsites_wyckoff": 5,
"spacegroup": 136
}
]
}