HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 288,
"next": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=id&page=3",
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=id",
"results": [
{
"id": 13,
"created_at": "2022-09-04T14:35:36.667805Z",
"updated_at": "2022-09-04T14:35:36.667826Z",
"structure_string": "Zr2 Al6\n1.0\n3.999300 -0.000000 -0.000000\n-0.000000 3.999300 0.000000\n-1.999650 -1.999650 8.641500\nAl Zr\n6 2\ndirect\n0.000000 0.500000 0.000000 Al\n0.500000 1.000000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.374980 0.374980 0.749960 Al\n0.625020 0.625020 0.250040 Al\n0.118860 0.118860 0.237720 Zr\n0.881140 0.881140 0.762280 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Zr"
],
"chemical_system": "Al-Zr",
"density": 4.136909120237683,
"density_atomic": 0.057880581605996774,
"volume": 138.215611834335,
"volume_molar": 10.404423371198588,
"formula_full": "Zr2 Al6",
"formula_reduced": "ZrAl3",
"formula_anonymous": "AB3",
"mineral_name": null,
"aflow_id": "A3B_tI16_139_cde_e",
"pearson_symbol": "tI16",
"strukturbericht_symbol": "D0_23",
"nsites_wyckoff": 4,
"spacegroup": 139
},
{
"id": 14,
"created_at": "2022-09-04T14:35:36.680219Z",
"updated_at": "2022-09-04T14:35:36.680234Z",
"structure_string": "Ca2 Cl4\n1.0\n-0.000000 -0.000000 4.200000\n6.240000 -0.000000 0.000000\n-0.000000 6.430000 0.000000\nCa Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.275000 0.325000 Cl\n0.500000 0.775000 0.175000 Cl\n0.500000 0.225000 0.825000 Cl\n0.000000 0.725000 0.675000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl",
"density": 2.187230802551171,
"density_atomic": 0.03560462347398584,
"volume": 168.51744,
"volume_molar": 16.913929069914243,
"formula_full": "Ca2 Cl4",
"formula_reduced": "CaCl2",
"formula_anonymous": "AB2",
"mineral_name": "Hydrophilite",
"aflow_id": "AB2_oP6_58_a_g",
"pearson_symbol": "oP6",
"strukturbericht_symbol": "C35",
"nsites_wyckoff": 2,
"spacegroup": 58
},
{
"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": 16,
"created_at": "2022-09-04T14:35:36.724364Z",
"updated_at": "2022-09-04T14:35:36.724385Z",
"structure_string": "Ca1 C6\n1.0\n-2.166520 -3.752523 -0.000000\n2.166520 -3.752523 -0.000000\n-0.000000 -2.501682 4.524433\nC Ca\n6 1\ndirect\n0.833330 0.166670 0.500000 C\n0.500000 0.833330 0.500000 C\n0.166670 0.500000 0.500000 C\n0.166670 0.833330 0.500000 C\n0.500000 0.166670 0.500000 C\n0.833330 0.500000 0.500000 C\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 7,
"nelements": 2,
"elements": [
"C",
"Ca"
],
"chemical_system": "C-Ca",
"density": 2.53126693956333,
"density_atomic": 0.09515197732447611,
"volume": 73.56652165124663,
"volume_molar": 6.328970694391356,
"formula_full": "Ca1 C6",
"formula_reduced": "CaC6",
"formula_anonymous": "AB6",
"mineral_name": null,
"aflow_id": "A6B_hR7_166_g_a",
"pearson_symbol": "hR7",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 166
},
{
"id": 17,
"created_at": "2022-09-04T14:35:36.734076Z",
"updated_at": "2022-09-04T14:35:36.734090Z",
"structure_string": "U3 Si1\n1.0\n-3.008500 -3.008500 -0.000000\n-3.008500 3.008500 0.000000\n0.000000 0.000000 -4.339500\nSi U\n1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 1.000000 U\n0.500000 0.000000 0.000000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"U"
],
"chemical_system": "Si-U",
"density": 15.688595932404018,
"density_atomic": 0.050920219994946635,
"volume": 78.55425605775001,
"volume_molar": 11.826619681921333,
"formula_full": "U3 Si1",
"formula_reduced": "U3Si",
"formula_anonymous": "AB3",
"mineral_name": "Uranium Silicide",
"aflow_id": "AB3_tI16_140_b_ah",
"pearson_symbol": "tI16",
"strukturbericht_symbol": "D0_c",
"nsites_wyckoff": 3,
"spacegroup": 221
},
{
"id": 18,
"created_at": "2022-09-04T14:35:36.758555Z",
"updated_at": "2022-09-04T14:35:36.758570Z",
"structure_string": "Mo6 C6\n1.0\n-1.505000 -2.606736 -0.000000\n-1.505000 2.606736 0.000000\n0.000000 0.000000 -14.610000\nMo C\n6 6\ndirect\n0.000000 0.000000 0.750000 Mo\n0.000000 0.000000 0.250000 Mo\n0.666670 0.333340 0.417000 Mo\n0.333340 0.666670 0.917000 Mo\n0.333340 0.666670 0.583000 Mo\n0.666670 0.333330 0.083000 Mo\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.666670 0.333340 0.834000 C\n0.333340 0.666670 0.334000 C\n0.333340 0.666670 0.166000 C\n0.666670 0.333330 0.666000 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"C"
],
"chemical_system": "C-Mo",
"density": 9.38235906341074,
"density_atomic": 0.10468090889683362,
"volume": 114.63408300959999,
"volume_molar": 5.7528548648111295,
"formula_full": "Mo6 C6",
"formula_reduced": "MoC",
"formula_anonymous": "AB",
"mineral_name": "Molybdenum Carbide MAX Phase",
"aflow_id": "AB_hP12_194_af_bf",
"pearson_symbol": "hP12",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 4,
"spacegroup": 194
},
{
"id": 19,
"created_at": "2022-09-04T14:35:36.794163Z",
"updated_at": "2022-09-04T14:35:36.794191Z",
"structure_string": "Zn1 S1\n1.0\n-2.704650 -2.704650 0.000000\n-2.704650 0.000000 -2.704650\n0.000000 -2.704650 -2.704650\nS Zn\n1 1\ndirect\n0.750000 0.750000 0.750000 S\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"S",
"Zn"
],
"chemical_system": "S-Zn",
"density": 4.090483761101026,
"density_atomic": 0.05054367112123723,
"volume": 39.56974148558925,
"volume_molar": 11.914727653151497,
"formula_full": "Zn1 S1",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"mineral_name": "Zincblende, Sphalerite",
"aflow_id": "AB_cF8_216_c_a",
"pearson_symbol": "cF8",
"strukturbericht_symbol": "B3",
"nsites_wyckoff": 2,
"spacegroup": 216
},
{
"id": 20,
"created_at": "2022-09-04T14:35:36.806964Z",
"updated_at": "2022-09-04T14:35:36.806992Z",
"structure_string": "Nb3 O3\n1.0\n4.210100 0.000000 0.000000\n-0.000000 4.210100 0.000000\n0.000000 0.000000 4.210100\nNb O\n3 3\ndirect\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 7.270161317955104,
"density_atomic": 0.08040332628766417,
"volume": 74.62377835630099,
"volume_molar": 7.4899149550781,
"formula_full": "Nb3 O3",
"formula_reduced": "NbO",
"formula_anonymous": "AB",
"mineral_name": null,
"aflow_id": "AB_cP6_221_c_d",
"pearson_symbol": "cP6",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 221
},
{
"id": 21,
"created_at": "2022-09-04T14:35:36.822877Z",
"updated_at": "2022-09-04T14:35:36.822902Z",
"structure_string": "Ti8 C4\n1.0\n-4.300000 -4.300000 0.000000\n-4.300000 0.000000 -4.300000\n0.000000 -4.300000 -4.300000\nC Ti\n4 8\ndirect\n0.000000 0.000000 0.000000 C\n0.000000 1.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n0.500000 1.000000 0.000000 C\n0.755000 0.755000 0.755000 Ti\n0.755000 0.755000 0.235000 Ti\n0.755000 0.235000 0.755000 Ti\n0.235000 0.755000 0.755000 Ti\n0.245000 0.245000 0.245000 Ti\n0.245000 0.245000 0.765000 Ti\n0.245000 0.765000 0.245000 Ti\n0.765000 0.245000 0.245000 Ti\n",
"nsites": 12,
"nelements": 2,
"elements": [
"C",
"Ti"
],
"chemical_system": "C-Ti",
"density": 4.500591987349466,
"density_atomic": 0.07546505339152529,
"volume": 159.01399999999998,
"volume_molar": 7.980039090088665,
"formula_full": "Ti8 C4",
"formula_reduced": "Ti2C",
"formula_anonymous": "AB2",
"mineral_name": null,
"aflow_id": "AB2_cF48_227_c_e",
"pearson_symbol": "cF48",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 227
},
{
"id": 22,
"created_at": "2022-09-04T14:35:36.836063Z",
"updated_at": "2022-09-04T14:35:36.836074Z",
"structure_string": "U30\n1.0\n-0.000000 -0.000000 5.634000\n10.590000 -0.000000 0.000000\n-0.000000 10.590000 0.000000\nU\n30\ndirect\n0.500000 0.000000 0.000000 U\n1.000000 0.500000 0.500000 U\n1.000000 0.103300 0.103300 U\n0.500000 0.603300 0.396700 U\n0.500000 0.396700 0.603300 U\n1.000000 0.896700 0.896700 U\n1.000000 0.366700 0.038300 U\n0.500000 0.866700 0.461700 U\n0.500000 0.133300 0.538300 U\n0.000000 0.633300 0.961700 U\n1.000000 0.961700 0.633300 U\n0.500000 0.461700 0.866700 U\n0.500000 0.538300 0.133300 U\n1.000000 0.038300 0.366700 U\n1.000000 0.560800 0.235400 U\n0.500000 0.060800 0.264600 U\n0.500000 0.939200 0.735400 U\n1.000000 0.439200 0.764600 U\n1.000000 0.764600 0.439200 U\n0.500000 0.264600 0.060800 U\n0.500000 0.735400 0.939200 U\n1.000000 0.235400 0.560800 U\n0.270000 0.318300 0.318300 U\n0.230000 0.818300 0.181700 U\n0.230000 0.181700 0.818300 U\n0.270000 0.681700 0.681700 U\n0.730000 0.681700 0.681700 U\n0.770000 0.181700 0.818300 U\n0.770000 0.818300 0.181700 U\n0.730000 0.318300 0.318300 U\n",
"nsites": 30,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.766846301204147,
"density_atomic": 0.047480194773900725,
"volume": 631.8423954000001,
"volume_molar": 12.683479477447925,
"formula_full": "U30",
"formula_reduced": "U",
"formula_anonymous": "A",
"mineral_name": "beta Uranium",
"aflow_id": "A_tP30_136_bf2ij",
"pearson_symbol": "tP30",
"strukturbericht_symbol": "A_b",
"nsites_wyckoff": 5,
"spacegroup": 136
},
{
"id": 23,
"created_at": "2022-09-04T14:35:36.863053Z",
"updated_at": "2022-09-04T14:35:36.863072Z",
"structure_string": "Sn8 Pt2\n1.0\n6.388000 -0.000000 0.000000\n-0.000000 6.419000 -0.000000\n0.000000 -3.209500 5.678500\nPt Sn\n2 8\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.673000 0.703000 0.752000 Sn\n0.327000 0.049000 0.752000 Sn\n0.173000 0.549000 0.752000 Sn\n0.827000 0.203000 0.752000 Sn\n0.827000 0.798000 0.250000 Sn\n0.173000 0.452000 0.250000 Sn\n0.327000 0.952000 0.250000 Sn\n0.673000 0.298000 0.250000 Sn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pt",
"Sn"
],
"chemical_system": "Pt-Sn",
"density": 9.55517656387829,
"density_atomic": 0.042947124057515246,
"volume": 232.84446210199997,
"volume_molar": 14.022221259647292,
"formula_full": "Sn8 Pt2",
"formula_reduced": "Sn4Pt",
"formula_anonymous": "AB4",
"mineral_name": null,
"aflow_id": "AB4_oC20_41_a_2b",
"pearson_symbol": "oC20",
"strukturbericht_symbol": "D1_c",
"nsites_wyckoff": 3,
"spacegroup": 68
},
{
"id": 24,
"created_at": "2022-09-04T14:35:36.880546Z",
"updated_at": "2022-09-04T14:35:36.880575Z",
"structure_string": "Sb8 O12\n1.0\n-4.911000 0.000000 -0.000000\n0.000000 0.000000 -5.412000\n0.000000 -12.464000 -0.000000\nSb O\n8 12\ndirect\n0.956000 0.821000 0.872000 Sb\n0.456000 0.679000 0.128000 Sb\n0.044000 0.679000 0.372000 Sb\n0.544000 0.821000 0.628000 Sb\n0.044000 0.179000 0.128000 Sb\n0.544000 0.321000 0.872000 Sb\n0.956000 0.321000 0.628000 Sb\n0.456000 0.179000 0.372000 Sb\n0.750000 0.971000 0.750000 O\n0.250000 0.529000 0.250000 O\n0.250000 0.029000 0.250000 O\n0.750000 0.471000 0.750000 O\n0.853000 0.139000 0.942000 O\n0.353000 0.361000 0.058000 O\n0.147000 0.361000 0.442000 O\n0.647000 0.139000 0.558000 O\n0.147000 0.861000 0.058000 O\n0.647000 0.639000 0.942000 O\n0.853000 0.639000 0.558000 O\n0.353000 0.861000 0.442000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.845068432425627,
"density_atomic": 0.06037328863869217,
"volume": 331.27233004799996,
"volume_molar": 9.974843007211168,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"mineral_name": "Antimony trioxide",
"aflow_id": "A3B2_oP20_56_ce_e",
"pearson_symbol": "oP20",
"strukturbericht_symbol": "D5_11",
"nsites_wyckoff": 3,
"spacegroup": 56
}
]
}