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=spacegroup&page=11",
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=spacegroup&page=9",
"results": [
{
"id": 222,
"created_at": "2022-09-04T14:35:36.537521Z",
"updated_at": "2022-09-04T14:35:36.537549Z",
"structure_string": "Pt2 S2\n1.0\n4.907300 0.000000 0.000000\n-0.000000 4.907300 0.000000\n0.000000 0.000000 6.109600\nPt S\n2 2\ndirect\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.250000 S\n0.000000 0.000000 0.750000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pt",
"S"
],
"chemical_system": "Pt-S",
"density": 5.127337761338703,
"density_atomic": 0.027187044392460964,
"volume": 147.128902364584,
"volume_molar": 22.150773997595543,
"formula_full": "Pt2 S2",
"formula_reduced": "PtS",
"formula_anonymous": "AB",
"mineral_name": null,
"aflow_id": "AB_tP4_131_c_e",
"pearson_symbol": "tP4",
"strukturbericht_symbol": "B17",
"nsites_wyckoff": 2,
"spacegroup": 131
},
{
"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": 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
},
{
"id": 113,
"created_at": "2022-09-04T14:35:36.521027Z",
"updated_at": "2022-09-04T14:35:36.521038Z",
"structure_string": "Ti2 O4\n1.0\n-0.000000 -0.000000 2.957400\n4.592200 -0.000000 0.000000\n-0.000000 4.592200 0.000000\nTi O\n2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.304960 0.304960 O\n0.500000 0.804960 0.195040 O\n0.500000 0.195040 0.804960 O\n0.000000 0.695040 0.695040 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.252930467602608,
"density_atomic": 0.09620543183908406,
"volume": 62.366540904215995,
"volume_molar": 6.25966813399144,
"formula_full": "Ti2 O4",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"mineral_name": "Rutile",
"aflow_id": "A2B_tP6_136_f_a",
"pearson_symbol": "tP6",
"strukturbericht_symbol": "C4",
"nsites_wyckoff": 2,
"spacegroup": 136
},
{
"id": 272,
"created_at": "2022-09-04T14:35:36.805133Z",
"updated_at": "2022-09-04T14:35:36.805155Z",
"structure_string": "N4\n1.0\n3.957000 0.000000 0.000000\n-0.000000 3.957000 0.000000\n0.000000 0.000000 5.109000\nN\n4\ndirect\n0.098000 0.098000 0.000000 N\n0.598000 0.402000 0.500000 N\n0.402000 0.598000 0.500000 N\n0.902000 0.902000 0.000000 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.162992495837676,
"density_atomic": 0.050002531039991784,
"volume": 79.995950541,
"volume_molar": 12.043671859697502,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"mineral_name": "gamma nitrogen",
"aflow_id": "A_tP4_136_f",
"pearson_symbol": "tP4",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 1,
"spacegroup": 136
},
{
"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": 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
},
{
"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": 2,
"created_at": "2022-09-04T14:35:36.452531Z",
"updated_at": "2022-09-04T14:35:36.452554Z",
"structure_string": "Si2 Mo1\n1.0\n3.206400 -0.000000 -0.000000\n-0.000000 3.206400 0.000000\n-1.603200 -1.603200 3.923900\nMo Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.335300 0.335300 0.670600 Si\n0.664700 0.664700 0.329400 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mo",
"Si"
],
"chemical_system": "Mo-Si",
"density": 6.2611828688316695,
"density_atomic": 0.07436488729921285,
"volume": 40.341619666944005,
"volume_molar": 8.098097070690704,
"formula_full": "Si2 Mo1",
"formula_reduced": "Si2Mo",
"formula_anonymous": "AB2",
"mineral_name": null,
"aflow_id": "AB2_tI6_139_a_e",
"pearson_symbol": "tI6",
"strukturbericht_symbol": "C11_b",
"nsites_wyckoff": 2,
"spacegroup": 139
},
{
"id": 38,
"created_at": "2022-09-04T14:35:36.461968Z",
"updated_at": "2022-09-04T14:35:36.461984Z",
"structure_string": "Pa1\n1.0\n-1.966000 1.966000 -1.619000\n1.966000 -1.966000 -1.619000\n-1.966000 -1.966000 1.619000\nPa\n1\ndirect\n0.000000 0.000000 0.000000 Pa\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pa"
],
"chemical_system": "Pa",
"density": 15.3269119224402,
"density_atomic": 0.03995086003306252,
"volume": 25.030750256,
"volume_molar": 15.073870137003803,
"formula_full": "Pa1",
"formula_reduced": "Pa",
"formula_anonymous": "A",
"mineral_name": "Protactinium",
"aflow_id": "A_tI2_139_a",
"pearson_symbol": "tI2",
"strukturbericht_symbol": "A_a",
"nsites_wyckoff": 1,
"spacegroup": 139
},
{
"id": 109,
"created_at": "2022-09-04T14:35:36.468186Z",
"updated_at": "2022-09-04T14:35:36.468201Z",
"structure_string": "V4 Zn5\n1.0\n0.000000 0.000000 3.220000\n-4.455000 4.455000 1.610000\n-4.455000 -4.455000 1.610000\nV Zn\n4 5\ndirect\n0.348000 0.652000 0.652000 V\n0.652000 0.348000 0.348000 V\n0.000000 0.652000 0.348000 V\n0.000000 0.348000 0.652000 V\n0.000000 0.000000 0.000000 Zn\n0.328000 1.000000 0.344000 Zn\n0.328000 0.344000 1.000000 Zn\n0.672000 0.656000 1.000000 Zn\n0.672000 1.000000 0.656000 Zn\n",
"nsites": 9,
"nelements": 2,
"elements": [
"V",
"Zn"
],
"chemical_system": "V-Zn",
"density": 6.896166326107721,
"density_atomic": 0.07041435821995037,
"volume": 127.814841,
"volume_molar": 8.552432930211323,
"formula_full": "V4 Zn5",
"formula_reduced": "V4Zn5",
"formula_anonymous": "A4B5",
"mineral_name": null,
"aflow_id": "A4B5_tI18_139_i_ah",
"pearson_symbol": "tI18",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 139
},
{
"id": 268,
"created_at": "2022-09-04T14:35:36.727483Z",
"updated_at": "2022-09-04T14:35:36.727503Z",
"structure_string": "Ti1 Al3\n1.0\n3.853700 -0.000000 -0.000000\n-0.000000 3.853700 0.000000\n-1.926850 -1.926850 4.291950\nAl Ti\n3 1\ndirect\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Ti"
],
"chemical_system": "Al-Ti",
"density": 3.3557814231613325,
"density_atomic": 0.06275517303791003,
"volume": 63.73976528729549,
"volume_molar": 9.596245964236381,
"formula_full": "Ti1 Al3",
"formula_reduced": "TiAl3",
"formula_anonymous": "AB3",
"mineral_name": null,
"aflow_id": "A3B_tI8_139_bd_a",
"pearson_symbol": "tI8",
"strukturbericht_symbol": "D0_22",
"nsites_wyckoff": 3,
"spacegroup": 139
}
]
}