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=volume_molar&page=2",
"previous": null,
"results": [
{
"id": 70,
"created_at": "2022-09-04T14:35:37.083956Z",
"updated_at": "2022-09-04T14:35:37.083978Z",
"structure_string": "H3 S1\n1.0\n-1.492000 -1.492000 1.492000\n-1.492000 1.492000 -1.492000\n1.492000 -1.492000 -1.492000\nH S\n3 1\ndirect\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 4.385826025405438,
"density_atomic": 0.3010880580537086,
"volume": 13.285149952,
"volume_molar": 2.000126075716281,
"formula_full": "H3 S1",
"formula_reduced": "H3S",
"formula_anonymous": "AB3",
"mineral_name": "High-temperature superconductor",
"aflow_id": "A3B_cI8_229_b_a",
"pearson_symbol": "cI8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 229
},
{
"id": 208,
"created_at": "2022-09-04T14:35:37.074508Z",
"updated_at": "2022-09-04T14:35:37.074527Z",
"structure_string": "Si8\n1.0\n-2.059855 -2.059855 2.059855\n-2.059855 2.059855 -2.059855\n2.059855 -2.059855 -2.059855\nSi\n8\ndirect\n0.799800 0.799800 0.799800 Si\n0.000000 0.500000 0.700200 Si\n0.500000 0.700200 1.000000 Si\n0.700200 1.000000 0.500000 Si\n0.200200 0.200200 0.200200 Si\n1.000000 0.500000 0.299800 Si\n0.500000 0.299800 1.000000 Si\n0.299800 0.000000 0.500000 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 10.6721348197408,
"density_atomic": 0.22883373312344932,
"volume": 34.95988065572582,
"volume_molar": 2.6316665282697747,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"mineral_name": "BC8",
"aflow_id": "A_cI16_206_c",
"pearson_symbol": "cI16",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 1,
"spacegroup": 206
},
{
"id": 246,
"created_at": "2022-09-04T14:35:37.002309Z",
"updated_at": "2022-09-04T14:35:37.002332Z",
"structure_string": "C2\n1.0\n-1.775000 -1.775000 0.000000\n-1.775000 0.000000 -1.775000\n0.000000 -1.775000 -1.775000\nC\n2\ndirect\n0.875000 0.875000 0.875000 C\n0.125000 0.125000 0.125000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5663367158360817,
"density_atomic": 0.17881540382944366,
"volume": 11.184718749999998,
"volume_molar": 3.3677975336755623,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"mineral_name": "diamond",
"aflow_id": "A_cF8_227_a",
"pearson_symbol": "cF8",
"strukturbericht_symbol": "A4",
"nsites_wyckoff": 1,
"spacegroup": 227
},
{
"id": 176,
"created_at": "2022-09-04T14:35:37.074674Z",
"updated_at": "2022-09-04T14:35:37.074692Z",
"structure_string": "C4\n1.0\n-1.254000 -2.171992 -0.000000\n-1.254000 2.171992 0.000000\n0.000000 0.000000 -4.183000\nC\n4\ndirect\n0.666670 0.333340 0.940050 C\n0.333340 0.666670 0.440050 C\n0.333340 0.666670 0.059950 C\n0.666670 0.333330 0.559950 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.501094153018041,
"density_atomic": 0.17554415488500946,
"volume": 22.786289880288,
"volume_molar": 3.430556126431447,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"mineral_name": "Lonsdaleite",
"aflow_id": "A_hP4_194_f",
"pearson_symbol": "hP4",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 1,
"spacegroup": 194
},
{
"id": 211,
"created_at": "2022-09-04T14:35:37.116249Z",
"updated_at": "2022-09-04T14:35:37.116271Z",
"structure_string": "C4\n1.0\n0.000000 0.000000 2.486920\n-2.165920 2.165920 1.243460\n-2.165920 -2.165920 1.243460\nC\n4\ndirect\n0.179160 1.000000 0.641680 C\n0.179160 0.641680 1.000000 C\n0.820840 0.358320 0.000000 C\n0.820840 0.000000 0.358320 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.419013175764011,
"density_atomic": 0.1714286312359886,
"volume": 23.33332519288217,
"volume_molar": 3.5129142177597643,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"mineral_name": "Theoretical Carbon Structure",
"aflow_id": "A_tI8_139_h",
"pearson_symbol": "tI8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 1,
"spacegroup": 139
},
{
"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": 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": 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": 142,
"created_at": "2022-09-04T14:35:37.154330Z",
"updated_at": "2022-09-04T14:35:37.154349Z",
"structure_string": "B10 W4\n1.0\n-1.491000 -2.582488 -0.000000\n-1.491000 2.582488 0.000000\n0.000000 0.000000 -13.870000\nB W\n10 4\ndirect\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.250000 B\n0.666670 0.333340 0.250000 B\n0.333340 0.666670 0.750000 B\n0.666670 0.333340 0.472000 B\n0.333340 0.666670 0.972000 B\n0.333340 0.666670 0.528000 B\n0.666670 0.333330 0.028000 B\n0.666670 0.333340 0.861000 W\n0.333340 0.666670 0.361000 W\n0.333340 0.666670 0.139000 W\n0.666670 0.333330 0.639000 W\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 13.11282682127341,
"density_atomic": 0.13107070135168022,
"volume": 106.81258172592001,
"volume_molar": 4.594574300660672,
"formula_full": "B10 W4",
"formula_reduced": "B5W2",
"formula_anonymous": "A2B5",
"mineral_name": "Tungsten boride",
"aflow_id": "A5B2_hP14_194_abdf_f",
"pearson_symbol": "hP14",
"strukturbericht_symbol": "D8_h",
"nsites_wyckoff": 5,
"spacegroup": 194
},
{
"id": 141,
"created_at": "2022-09-04T14:35:37.147674Z",
"updated_at": "2022-09-04T14:35:37.147689Z",
"structure_string": "B50\n1.0\n-0.000000 -0.000000 5.030000\n8.740000 -0.000000 0.000000\n-0.000000 8.740000 0.000000\nB\n50\ndirect\n0.250000 0.750000 0.250000 B\n0.750000 0.250000 0.750000 B\n0.168500 0.004800 0.995200 B\n0.331500 0.004800 0.504800 B\n0.331500 0.495200 0.995200 B\n0.168500 0.495200 0.504800 B\n0.831500 0.504800 0.495200 B\n0.668500 0.504800 0.004800 B\n0.668500 0.995200 0.495200 B\n0.831500 0.995200 0.004800 B\n0.628000 0.130500 0.869500 B\n0.872000 0.130500 0.630500 B\n0.872000 0.369500 0.869500 B\n0.628000 0.369500 0.630500 B\n0.372000 0.630500 0.369500 B\n0.128000 0.630500 0.130500 B\n0.128000 0.869500 0.369500 B\n0.372000 0.869500 0.130500 B\n0.163500 0.169500 0.522800 B\n0.336500 0.169500 0.977200 B\n0.336500 0.330500 0.522800 B\n0.163500 0.330500 0.977200 B\n0.836500 0.977200 0.330500 B\n0.663500 0.977200 0.169500 B\n0.663500 0.522800 0.330500 B\n0.836500 0.522800 0.169500 B\n0.836500 0.830500 0.477200 B\n0.663500 0.830500 0.022800 B\n0.663500 0.669500 0.477200 B\n0.836500 0.669500 0.022800 B\n0.163500 0.022800 0.669500 B\n0.336500 0.022800 0.830500 B\n0.336500 0.477200 0.669500 B\n0.163500 0.477200 0.830500 B\n0.148500 0.075300 0.338300 B\n0.351500 0.075300 0.161700 B\n0.351500 0.424700 0.338300 B\n0.148500 0.424700 0.161700 B\n0.851500 0.161700 0.424700 B\n0.648500 0.161700 0.075300 B\n0.648500 0.338300 0.424700 B\n0.851500 0.338300 0.075300 B\n0.851500 0.924700 0.661700 B\n0.648500 0.924700 0.838300 B\n0.648500 0.575300 0.661700 B\n0.851500 0.575300 0.838300 B\n0.148500 0.838300 0.575300 B\n0.351500 0.838300 0.924700 B\n0.351500 0.661700 0.575300 B\n0.148500 0.661700 0.924700 B\n",
"nsites": 50,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.3361144665570395,
"density_atomic": 0.13013051663990888,
"volume": 384.22962800000005,
"volume_molar": 4.627769807956875,
"formula_full": "B50",
"formula_reduced": "B",
"formula_anonymous": "A",
"mineral_name": "T-50 Boron",
"aflow_id": "A_tP50_134_b2m2n",
"pearson_symbol": "tP50",
"strukturbericht_symbol": "A_g",
"nsites_wyckoff": 5,
"spacegroup": 134
},
{
"id": 111,
"created_at": "2022-09-04T14:35:36.463822Z",
"updated_at": "2022-09-04T14:35:36.463844Z",
"structure_string": "Li2 B2 C2\n1.0\n-1.376000 -2.383302 -0.000000\n-1.376000 2.383302 0.000000\n0.000000 0.000000 -7.058000\nLi B C\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666670 0.333340 0.750000 B\n0.333340 0.666670 0.250000 B\n0.666670 0.333340 0.250000 C\n0.333340 0.666670 0.750000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"B",
"C"
],
"chemical_system": "B-C-Li",
"density": 2.135218181846053,
"density_atomic": 0.1296110680364872,
"volume": 46.292342860032,
"volume_molar": 4.646316746888227,
"formula_full": "Li2 B2 C2",
"formula_reduced": "LiBC",
"formula_anonymous": "ABC",
"mineral_name": null,
"aflow_id": "ABC_hP6_194_c_d_a",
"pearson_symbol": "hP6",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 194
},
{
"id": 201,
"created_at": "2022-09-04T14:35:36.896620Z",
"updated_at": "2022-09-04T14:35:36.896649Z",
"structure_string": "Be4 O4\n1.0\n-0.000000 -0.000000 2.740000\n4.750000 -0.000000 0.000000\n-0.000000 4.750000 0.000000\nBe O\n4 4\ndirect\n1.000000 0.336000 0.664000 Be\n0.500000 0.836000 0.836000 Be\n0.500000 0.164000 0.164000 Be\n0.000000 0.664000 0.336000 Be\n0.000000 0.310000 0.310000 O\n0.500000 0.810000 0.190000 O\n0.500000 0.190000 0.810000 O\n1.000000 0.690000 0.690000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Be",
"O"
],
"chemical_system": "Be-O",
"density": 2.6872772083042222,
"density_atomic": 0.129405342014275,
"volume": 61.821250000000006,
"volume_molar": 4.653703368239376,
"formula_full": "Be4 O4",
"formula_reduced": "BeO",
"formula_anonymous": "AB",
"mineral_name": "beta beryllia",
"aflow_id": "AB_tP8_136_g_f",
"pearson_symbol": "tP8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 136
}
]
}