HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 288,
"next": "https://simmate.org/third-parties/AflowPrototype/?format=api&page=18",
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&page=16",
"results": [
{
"id": 158,
"created_at": "2022-09-04T14:35:36.674745Z",
"updated_at": "2022-09-04T14:35:36.674762Z",
"structure_string": "Al3 Ni2\n1.0\n-2.014100 -3.488524 -0.000000\n-2.014100 3.488524 0.000000\n0.000000 0.000000 -4.890600\nAl Ni\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666670 0.333340 0.352000 Al\n0.333340 0.666670 0.648000 Al\n0.666670 0.333340 0.851000 Ni\n0.333340 0.666670 0.149000 Ni\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Ni"
],
"chemical_system": "Al-Ni",
"density": 4.792098384728053,
"density_atomic": 0.07275370596778122,
"volume": 68.72502140597808,
"volume_molar": 8.277435052816262,
"formula_full": "Al3 Ni2",
"formula_reduced": "Al3Ni2",
"formula_anonymous": "A2B3",
"mineral_name": null,
"aflow_id": "A3B2_hP5_164_ad_d",
"pearson_symbol": "hP5",
"strukturbericht_symbol": "D5_13",
"nsites_wyckoff": 3,
"spacegroup": 164
},
{
"id": 157,
"created_at": "2022-09-04T14:35:36.669673Z",
"updated_at": "2022-09-04T14:35:36.669696Z",
"structure_string": "Ti8 O16\n1.0\n-0.000000 3.449000 0.000000\n-0.000000 -0.000000 5.138000\n9.174000 -0.000000 0.000000\nTi O\n8 16\ndirect\n0.097200 0.862800 0.128900 Ti\n0.402800 0.137200 0.628900 Ti\n0.597200 0.637200 0.871100 Ti\n0.902800 0.362800 0.371100 Ti\n0.902800 0.137200 0.871100 Ti\n0.597200 0.862800 0.371100 Ti\n0.402800 0.362800 0.128900 Ti\n0.097200 0.637200 0.628900 Ti\n0.149100 0.183500 0.009500 O\n0.350900 0.816500 0.509500 O\n0.649100 0.316500 0.990500 O\n0.850900 0.683500 0.490500 O\n0.850900 0.816500 0.990500 O\n0.649100 0.183500 0.490500 O\n0.350900 0.683500 0.009500 O\n0.149100 0.316500 0.509500 O\n0.111000 0.536600 0.231400 O\n0.389000 0.463400 0.731400 O\n0.611000 0.963400 0.768600 O\n0.889000 0.036600 0.268600 O\n0.889000 0.463400 0.768600 O\n0.611000 0.536600 0.268600 O\n0.389000 0.036600 0.231400 O\n0.111000 0.963400 0.731400 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 6.526102650574465,
"density_atomic": 0.1476268019210356,
"volume": 162.57210538799998,
"volume_molar": 4.079300426233709,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"mineral_name": "Brookite",
"aflow_id": "A2B_oP24_61_2c_c",
"pearson_symbol": "oP24",
"strukturbericht_symbol": "C21",
"nsites_wyckoff": 3,
"spacegroup": 61
},
{
"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": 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": 229,
"created_at": "2022-09-04T14:35:36.662338Z",
"updated_at": "2022-09-04T14:35:36.662364Z",
"structure_string": "Cu3 As1 S4\n1.0\n5.280000 0.000000 0.000000\n-0.000000 5.280000 0.000000\n0.000000 0.000000 5.280000\nCu As S\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.250000 0.750000 S\n0.750000 0.750000 0.250000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"As",
"S"
],
"chemical_system": "As-Cu-S",
"density": 4.44267615213006,
"density_atomic": 0.05434858224114422,
"volume": 147.19795200000002,
"volume_molar": 11.080584831596545,
"formula_full": "Cu3 As1 S4",
"formula_reduced": "Cu3AsS4",
"formula_anonymous": "AB3C4",
"mineral_name": "Lavarevi\\'{c}ite",
"aflow_id": "AB3C4_cP8_215_a_c_e",
"pearson_symbol": "cP8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 215
},
{
"id": 12,
"created_at": "2022-09-04T14:35:36.653650Z",
"updated_at": "2022-09-04T14:35:36.653674Z",
"structure_string": "Cl16\n1.0\n-0.000000 -0.000000 6.120000\n8.560000 -0.000000 0.000000\n-0.000000 8.560000 0.000000\nCl\n16\ndirect\n0.857000 0.375000 0.917000 Cl\n0.643000 0.875000 0.083000 Cl\n0.643000 0.625000 0.417000 Cl\n0.857000 0.125000 0.583000 Cl\n0.143000 0.083000 0.625000 Cl\n0.357000 0.583000 0.375000 Cl\n0.357000 0.917000 0.125000 Cl\n0.143000 0.417000 0.875000 Cl\n0.143000 0.625000 0.083000 Cl\n0.357000 0.125000 0.917000 Cl\n0.357000 0.375000 0.583000 Cl\n0.143000 0.875000 0.417000 Cl\n0.857000 0.917000 0.375000 Cl\n0.643000 0.417000 0.625000 Cl\n0.643000 0.083000 0.875000 Cl\n0.857000 0.583000 0.125000 Cl\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Cl"
],
"chemical_system": "Cl",
"density": 2.1005020962590057,
"density_atomic": 0.03567968661246779,
"volume": 448.4344320000001,
"volume_molar": 16.878345444591552,
"formula_full": "Cl16",
"formula_reduced": "Cl",
"formula_anonymous": "A",
"mineral_name": null,
"aflow_id": "A_tP16_138_j",
"pearson_symbol": "tP16",
"strukturbericht_symbol": "A18",
"nsites_wyckoff": 1,
"spacegroup": 138
},
{
"id": 264,
"created_at": "2022-09-04T14:35:36.652918Z",
"updated_at": "2022-09-04T14:35:36.652939Z",
"structure_string": "H12 N4\n1.0\n5.130500 0.000000 0.000000\n-0.000000 5.130500 0.000000\n0.000000 0.000000 5.130500\nH N\n12 4\ndirect\n0.368900 0.267100 0.115900 H\n0.868900 0.232900 0.884100 H\n0.631100 0.767100 0.384100 H\n0.131100 0.732900 0.615900 H\n0.267100 0.115900 0.368900 H\n0.767100 0.384100 0.631100 H\n0.732900 0.615900 0.131100 H\n0.232900 0.884100 0.868900 H\n0.115900 0.368900 0.267100 H\n0.615900 0.131100 0.732900 H\n0.884100 0.868900 0.232900 H\n0.384100 0.631100 0.767100 H\n0.210700 0.210700 0.210700 N\n0.710700 0.289300 0.789300 N\n0.789300 0.710700 0.289300 N\n0.289300 0.789300 0.710700 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 0.8376409903935533,
"density_atomic": 0.11847887092676021,
"volume": 135.04517619762498,
"volume_molar": 5.082881625131871,
"formula_full": "H12 N4",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"mineral_name": "Ammonia",
"aflow_id": "A3B_cP16_198_b_a",
"pearson_symbol": "cP16",
"strukturbericht_symbol": "D1",
"nsites_wyckoff": 2,
"spacegroup": 198
},
{
"id": 192,
"created_at": "2022-09-04T14:35:36.652097Z",
"updated_at": "2022-09-04T14:35:36.652116Z",
"structure_string": "B105\n1.0\n5.480000 3.163879 7.963333\n-5.480000 3.163879 7.963333\n-0.000000 -6.327759 7.963333\nB\n105\ndirect\n0.500000 0.500000 0.500000 B\n0.384800 0.384800 0.384800 B\n0.615200 0.615200 0.615200 B\n0.384300 0.213090 0.384300 B\n0.384300 0.384300 0.213090 B\n0.213090 0.384300 0.384300 B\n0.615700 0.786910 0.615700 B\n0.615700 0.615700 0.786910 B\n0.786910 0.615700 0.615700 B\n0.489500 0.217800 0.489500 B\n0.489500 0.489500 0.217800 B\n0.217800 0.489500 0.489500 B\n0.510500 0.782200 0.510500 B\n0.510500 0.510500 0.782200 B\n0.782200 0.510500 0.510500 B\n0.387300 0.568990 0.387300 B\n0.387300 0.387300 0.568990 B\n0.568990 0.387300 0.387300 B\n0.612700 0.431010 0.612700 B\n0.612700 0.612700 0.431010 B\n0.431010 0.612700 0.612700 B\n0.199100 0.506090 0.199100 B\n0.199100 0.199100 0.506090 B\n0.506090 0.199100 0.199100 B\n0.800900 0.493910 0.800900 B\n0.800900 0.800900 0.493910 B\n0.493910 0.800900 0.800900 B\n0.198300 0.687400 0.198300 B\n0.198300 0.198300 0.687400 B\n0.687400 0.198300 0.198300 B\n0.801700 0.312600 0.801700 B\n0.801700 0.801700 0.312600 B\n0.312600 0.801700 0.801700 B\n0.103200 0.492090 0.103200 B\n0.103200 0.103200 0.492090 B\n0.492090 0.103200 0.103200 B\n0.896800 0.507910 0.896800 B\n0.896800 0.896800 0.507910 B\n0.507910 0.896800 0.896800 B\n0.993300 0.669800 0.993300 B\n0.993300 0.993300 0.669800 B\n0.669800 0.993300 0.993300 B\n0.006700 0.330200 0.006700 B\n0.006700 0.006700 0.330200 B\n0.330200 0.006700 0.006700 B\n0.100800 0.837400 0.100800 B\n0.100800 0.100800 0.837400 B\n0.837400 0.100800 0.100800 B\n0.899200 0.162600 0.899200 B\n0.899200 0.899200 0.162600 B\n0.162600 0.899200 0.899200 B\n0.002500 0.168010 0.002500 B\n0.002500 0.002500 0.168010 B\n0.168010 0.002500 0.002500 B\n0.997500 0.831990 0.997500 B\n0.997500 0.997500 0.831990 B\n0.831990 0.997500 0.997500 B\n0.362200 0.581090 0.097600 B\n0.097600 0.362200 0.581090 B\n0.581090 0.097600 0.362200 B\n0.902400 0.418910 0.637800 B\n0.637800 0.902400 0.418910 B\n0.418910 0.637800 0.902400 B\n0.637800 0.418910 0.902400 B\n0.902400 0.637800 0.418910 B\n0.418910 0.902400 0.637800 B\n0.097600 0.581090 0.362200 B\n0.362200 0.097600 0.581090 B\n0.581090 0.362200 0.097600 B\n0.376500 0.682610 0.202400 B\n0.202400 0.376500 0.682610 B\n0.682610 0.202400 0.376500 B\n0.797600 0.317390 0.623500 B\n0.623500 0.797600 0.317390 B\n0.317390 0.623500 0.797600 B\n0.623500 0.317390 0.797600 B\n0.797600 0.623500 0.317390 B\n0.317390 0.797600 0.623500 B\n0.202400 0.682610 0.376500 B\n0.376500 0.202400 0.682610 B\n0.682610 0.376500 0.202400 B\n0.167300 0.552090 0.892100 B\n0.892100 0.167300 0.552090 B\n0.552090 0.892100 0.167300 B\n0.107900 0.447910 0.832700 B\n0.832700 0.107900 0.447910 B\n0.447910 0.832700 0.107900 B\n0.832700 0.447910 0.107900 B\n0.107900 0.832700 0.447910 B\n0.447910 0.107900 0.832700 B\n0.892100 0.552090 0.167300 B\n0.167300 0.892100 0.552090 B\n0.552090 0.167300 0.892100 B\n0.177700 0.347300 0.003300 B\n0.003300 0.177700 0.347300 B\n0.347300 0.003300 0.177700 B\n0.996700 0.652700 0.822300 B\n0.822300 0.996700 0.652700 B\n0.652700 0.822300 0.996700 B\n0.822300 0.652700 0.996700 B\n0.996700 0.822300 0.652700 B\n0.652700 0.996700 0.822300 B\n0.003300 0.347300 0.177700 B\n0.177700 0.003300 0.347300 B\n0.347300 0.177700 0.003300 B\n",
"nsites": 105,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.2753995429043625,
"density_atomic": 0.12674846302233947,
"volume": 828.412412239616,
"volume_molar": 4.751253479845823,
"formula_full": "B105",
"formula_reduced": "B",
"formula_anonymous": "A",
"mineral_name": "beta Boron",
"aflow_id": "A_hR105_166_bc9h4i",
"pearson_symbol": "hR105",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 15,
"spacegroup": 166
},
{
"id": 228,
"created_at": "2022-09-04T14:35:36.644860Z",
"updated_at": "2022-09-04T14:35:36.644891Z",
"structure_string": "Cu2 Te2\n1.0\n3.150000 0.000000 0.000000\n-0.000000 4.090000 0.000000\n0.000000 0.000000 6.950000\nCu Te\n2 2\ndirect\n0.250000 0.250000 0.051000 Cu\n0.750000 0.750000 0.949000 Cu\n0.250000 0.750000 0.277000 Te\n0.750000 0.250000 0.723000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Te"
],
"chemical_system": "Cu-Te",
"density": 7.089663800624435,
"density_atomic": 0.044672609798992804,
"volume": 89.540325,
"volume_molar": 13.480611021153674,
"formula_full": "Cu2 Te2",
"formula_reduced": "CuTe",
"formula_anonymous": "AB",
"mineral_name": "Vulcanite",
"aflow_id": "AB_oP4_59_a_b",
"pearson_symbol": "oP4",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 59
},
{
"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": 81,
"created_at": "2022-09-04T14:35:36.640518Z",
"updated_at": "2022-09-04T14:35:36.640541Z",
"structure_string": "Cu1 Pt1\n1.0\n-1.565000 -2.710660 -0.000000\n1.565000 -2.710660 -0.000000\n-0.000000 -1.807106 4.993333\nCu Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Pt"
],
"chemical_system": "Cu-Pt",
"density": 10.137201588056852,
"density_atomic": 0.047208486948049855,
"volume": 42.36526373321139,
"volume_molar": 12.756479076796104,
"formula_full": "Cu1 Pt1",
"formula_reduced": "CuPt",
"formula_anonymous": "AB",
"mineral_name": null,
"aflow_id": "AB_hR2_166_a_b",
"pearson_symbol": "hR2",
"strukturbericht_symbol": "L1_1",
"nsites_wyckoff": 2,
"spacegroup": 166
},
{
"id": 11,
"created_at": "2022-09-04T14:35:36.637501Z",
"updated_at": "2022-09-04T14:35:36.637521Z",
"structure_string": "Fe2 S4\n1.0\n-0.000000 -0.000000 3.386400\n4.444600 -0.000000 0.000000\n-0.000000 5.424600 0.000000\nFe S\n2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.200400 0.378700 S\n0.500000 0.700400 0.121300 S\n0.500000 0.299600 0.878700 S\n0.000000 0.799600 0.621300 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"S"
],
"chemical_system": "Fe-S",
"density": 4.880127792417843,
"density_atomic": 0.07348735112202824,
"volume": 81.64670393462401,
"volume_molar": 8.19479906140586,
"formula_full": "Fe2 S4",
"formula_reduced": "FeS2",
"formula_anonymous": "AB2",
"mineral_name": "Marcasite",
"aflow_id": "AB2_oP6_58_a_g",
"pearson_symbol": "oP6",
"strukturbericht_symbol": "C18",
"nsites_wyckoff": 2,
"spacegroup": 58
}
]
}