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&page=12",
"previous": "https://simmate.org/third-parties/AflowPrototype/?format=api&ordering=volume&page=10",
"results": [
{
"id": 61,
"created_at": "2022-09-04T14:35:36.902660Z",
"updated_at": "2022-09-04T14:35:36.902692Z",
"structure_string": "Sm3\n1.0\n-1.810180 -3.135324 -0.000000\n1.810180 -3.135324 -0.000000\n-0.000000 -2.090216 8.749800\nSm\n3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.777780 0.777780 0.666660 Sm\n0.222220 0.222220 0.333340 Sm\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.541719199193728,
"density_atomic": 0.03020570271723487,
"volume": 99.31899377028067,
"volume_molar": 19.937098687539777,
"formula_full": "Sm3",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"mineral_name": "alpha Samarium",
"aflow_id": "A_hR3_166_ac",
"pearson_symbol": "hR3",
"strukturbericht_symbol": "C19",
"nsites_wyckoff": 2,
"spacegroup": 166
},
{
"id": 196,
"created_at": "2022-09-04T14:35:36.761754Z",
"updated_at": "2022-09-04T14:35:36.761778Z",
"structure_string": "Zr2 Si4\n1.0\n-0.000000 -0.000000 3.670000\n3.730000 -0.000000 0.000000\n-1.865000 7.360000 0.000000\nSi Zr\n4 2\ndirect\n0.250000 0.061000 0.122000 Si\n0.750000 0.939000 0.878000 Si\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.396000 0.792000 Zr\n0.750000 0.604000 0.208000 Zr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Zr"
],
"chemical_system": "Si-Zr",
"density": 4.858577494882214,
"density_atomic": 0.059552300100397235,
"volume": 100.751776,
"volume_molar": 10.112356281533163,
"formula_full": "Zr2 Si4",
"formula_reduced": "ZrSi2",
"formula_anonymous": "AB2",
"mineral_name": "Zirconium Disilicide",
"aflow_id": "A2B_oC12_63_2c_c",
"pearson_symbol": "oC12",
"strukturbericht_symbol": "C49",
"nsites_wyckoff": 3,
"spacegroup": 63
},
{
"id": 213,
"created_at": "2022-09-04T14:35:37.173154Z",
"updated_at": "2022-09-04T14:35:37.173170Z",
"structure_string": "Ti2 Cu6\n1.0\n-0.000000 4.347000 0.000000\n-0.000000 -0.000000 4.531000\n5.162000 -0.000000 0.000000\nTi Cu\n2 6\ndirect\n0.250000 0.671250 0.250000 Ti\n0.750000 0.328750 0.750000 Ti\n0.750000 0.329000 0.250000 Cu\n0.250000 0.671000 0.750000 Cu\n0.250000 0.174000 0.505000 Cu\n0.750000 0.826000 0.005000 Cu\n0.750000 0.826000 0.495000 Cu\n0.250000 0.174000 0.995000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Cu"
],
"chemical_system": "Cu-Ti",
"density": 7.790671252136505,
"density_atomic": 0.07868433602895508,
"volume": 101.67207863399999,
"volume_molar": 7.653544611196705,
"formula_full": "Ti2 Cu6",
"formula_reduced": "TiCu3",
"formula_anonymous": "AB3",
"mineral_name": "beta Cu3Ti",
"aflow_id": "A3B_oP8_59_bf_a",
"pearson_symbol": "oP8",
"strukturbericht_symbol": "D0_a",
"nsites_wyckoff": 3,
"spacegroup": 59
},
{
"id": 180,
"created_at": "2022-09-04T14:35:37.141239Z",
"updated_at": "2022-09-04T14:35:37.141258Z",
"structure_string": "Fe6 P3\n1.0\n0.000000 0.000000 -3.450000\n-2.925000 -5.066249 -0.000000\n-2.925000 5.066249 0.000000\nFe P\n6 3\ndirect\n1.000000 0.740000 0.740000 Fe\n0.000000 1.000000 0.260000 Fe\n1.000000 0.260000 0.000000 Fe\n0.500000 0.400000 0.400000 Fe\n0.500000 1.000000 0.600000 Fe\n0.500000 0.600000 0.000000 Fe\n0.500000 0.000000 0.000000 P\n0.125000 0.666670 0.333340 P\n0.875000 0.333340 0.666670 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Fe",
"P"
],
"chemical_system": "Fe-P",
"density": 6.950603777519372,
"density_atomic": 0.08801992967844442,
"volume": 102.2495704425,
"volume_molar": 6.841792287269672,
"formula_full": "Fe6 P3",
"formula_reduced": "Fe2P",
"formula_anonymous": "AB2",
"mineral_name": null,
"aflow_id": "A2B_hP9_150_ef_bd",
"pearson_symbol": "hP9",
"strukturbericht_symbol": "C22",
"nsites_wyckoff": 4,
"spacegroup": 150
},
{
"id": 274,
"created_at": "2022-09-04T14:35:36.883151Z",
"updated_at": "2022-09-04T14:35:36.883173Z",
"structure_string": "Co3 Sn3\n1.0\n0.000000 0.000000 -4.259700\n-2.639500 -4.571748 -0.000000\n-2.639500 4.571748 0.000000\nCo Sn\n3 3\ndirect\n1.000000 0.500000 0.500000 Co\n1.000000 0.500000 1.000000 Co\n0.000000 1.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.500000 0.666670 0.333340 Sn\n0.500000 0.333340 0.666670 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"Sn"
],
"chemical_system": "Co-Sn",
"density": 8.608073533996192,
"density_atomic": 0.05836309182805474,
"volume": 102.8046974906124,
"volume_molar": 10.31840598462811,
"formula_full": "Co3 Sn3",
"formula_reduced": "CoSn",
"formula_anonymous": "AB",
"mineral_name": null,
"aflow_id": "AB_hP6_191_f_ad",
"pearson_symbol": "hP6",
"strukturbericht_symbol": "B35",
"nsites_wyckoff": 3,
"spacegroup": 191
},
{
"id": 52,
"created_at": "2022-09-04T14:35:36.734925Z",
"updated_at": "2022-09-04T14:35:36.734946Z",
"structure_string": "Fe6 P3\n1.0\n0.000000 0.000000 -3.437000\n-2.938500 -5.089631 -0.000000\n-2.938500 5.089631 0.000000\nFe P\n6 3\ndirect\n1.000000 0.744000 0.744000 Fe\n0.000000 0.000000 0.256000 Fe\n1.000000 0.256000 0.000000 Fe\n0.500000 0.411000 0.411000 Fe\n0.500000 0.000000 0.589000 Fe\n0.500000 0.589000 0.000000 Fe\n0.500000 0.000000 0.000000 P\n1.000000 0.666670 0.333340 P\n1.000000 0.333340 0.666670 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Fe",
"P"
],
"chemical_system": "Fe-P",
"density": 6.912935493866264,
"density_atomic": 0.0875429121725728,
"volume": 102.80672388711899,
"volume_molar": 6.8790729146965,
"formula_full": "Fe6 P3",
"formula_reduced": "Fe2P",
"formula_anonymous": "AB2",
"mineral_name": null,
"aflow_id": "A2B_hP9_189_fg_bc",
"pearson_symbol": "hP9",
"strukturbericht_symbol": "C22",
"nsites_wyckoff": 4,
"spacegroup": 189
},
{
"id": 49,
"created_at": "2022-09-04T14:35:36.693884Z",
"updated_at": "2022-09-04T14:35:36.693903Z",
"structure_string": "Ni6 Sn2\n1.0\n0.000000 0.000000 -4.247000\n-2.647500 -4.585605 -0.000000\n-2.647500 4.585605 0.000000\nNi Sn\n6 2\ndirect\n0.750000 0.160800 0.839200 Ni\n0.250000 0.839200 0.678400 Ni\n0.750000 0.678400 0.839200 Ni\n0.250000 0.839200 0.160800 Ni\n0.750000 0.160800 0.321600 Ni\n0.250000 0.321600 0.160800 Ni\n0.750000 0.666670 0.333340 Sn\n0.250000 0.333340 0.666670 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn",
"density": 9.493957148731027,
"density_atomic": 0.07757916828826006,
"volume": 103.120466183325,
"volume_molar": 7.762574532410039,
"formula_full": "Ni6 Sn2",
"formula_reduced": "Ni3Sn",
"formula_anonymous": "AB3",
"mineral_name": null,
"aflow_id": "A3B_hP8_194_h_c",
"pearson_symbol": "hP8",
"strukturbericht_symbol": "D0_19",
"nsites_wyckoff": 2,
"spacegroup": 194
},
{
"id": 67,
"created_at": "2022-09-04T14:35:37.030968Z",
"updated_at": "2022-09-04T14:35:37.030991Z",
"structure_string": "U1 B12\n1.0\n-3.734000 -3.734000 -0.000000\n-3.734000 0.000000 -3.734000\n0.000000 -3.734000 -3.734000\nB U\n12 1\ndirect\n0.500000 0.500000 0.168000 B\n0.500000 0.500000 0.832000 B\n0.168000 0.832000 0.500000 B\n0.832000 0.168000 0.500000 B\n0.168000 0.500000 0.500000 B\n0.500000 0.168000 0.832000 B\n0.500000 0.832000 0.168000 B\n0.832000 0.500000 0.500000 B\n0.500000 0.168000 0.500000 B\n0.168000 0.500000 0.832000 B\n0.500000 0.832000 0.500000 B\n0.832000 0.500000 0.168000 B\n0.000000 0.000000 0.000000 U\n",
"nsites": 13,
"nelements": 2,
"elements": [
"B",
"U"
],
"chemical_system": "B-U",
"density": 5.864915054762329,
"density_atomic": 0.12485053733050559,
"volume": 104.12450180799999,
"volume_molar": 4.823480049635773,
"formula_full": "U1 B12",
"formula_reduced": "UB12",
"formula_anonymous": "AB12",
"mineral_name": null,
"aflow_id": "A12B_cF52_225_i_a",
"pearson_symbol": "cF52",
"strukturbericht_symbol": "D2_f",
"nsites_wyckoff": 2,
"spacegroup": 225
},
{
"id": 197,
"created_at": "2022-09-04T14:35:36.792287Z",
"updated_at": "2022-09-04T14:35:36.792309Z",
"structure_string": "Na2 Tl2\n1.0\n-3.741500 -3.741500 -0.000000\n-3.741500 0.000000 -3.741500\n0.000000 -3.741500 -3.741500\nNa Tl\n2 2\ndirect\n0.875000 0.875000 0.875000 Na\n0.125000 0.125000 0.125000 Na\n0.625000 0.625000 0.625000 Tl\n0.375000 0.375000 0.375000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 7.2085990969292855,
"density_atomic": 0.03818499578387626,
"volume": 104.75318689674998,
"volume_molar": 15.7709609137704,
"formula_full": "Na2 Tl2",
"formula_reduced": "NaTl",
"formula_anonymous": "AB",
"mineral_name": "Zintl Phase",
"aflow_id": "AB_cF16_227_a_b",
"pearson_symbol": "cF16",
"strukturbericht_symbol": "B32",
"nsites_wyckoff": 2,
"spacegroup": 227
},
{
"id": 32,
"created_at": "2022-09-04T14:35:37.073774Z",
"updated_at": "2022-09-04T14:35:37.073801Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n-2.544200 -4.406684 -0.000000\n2.544200 -4.406684 -0.000000\n-0.000000 -2.937789 4.695167\nFe O Ti\n2 6 2\ndirect\n0.644630 0.644630 0.066110 Fe\n0.355370 0.355370 0.933890 Fe\n0.778260 0.437510 0.735180 O\n0.049050 0.778260 0.735180 O\n0.437510 0.049050 0.735180 O\n0.221740 0.562490 0.264820 O\n0.950950 0.221740 0.264820 O\n0.562490 0.950950 0.264820 O\n0.853600 0.853600 0.439200 Ti\n0.146400 0.146400 0.560800 Ti\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"O",
"Ti"
],
"chemical_system": "Fe-O-Ti",
"density": 4.785746355617606,
"density_atomic": 0.09498516976823566,
"volume": 105.27959285012655,
"volume_molar": 6.340085272989516,
"formula_full": "Ti2 Fe2 O6",
"formula_reduced": "TiFeO3",
"formula_anonymous": "ABC3",
"mineral_name": "Ilmenite",
"aflow_id": "AB3C_hR10_148_c_f_c",
"pearson_symbol": "hR10",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 148
},
{
"id": 203,
"created_at": "2022-09-04T14:35:36.921357Z",
"updated_at": "2022-09-04T14:35:36.921377Z",
"structure_string": "Ca1 Cu5\n1.0\n0.000000 0.000000 -4.183000\n-2.702500 -4.680867 -0.000000\n-2.702500 4.680867 0.000000\nCa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n1.000000 0.666670 0.333340 Cu\n0.000000 0.333340 0.666670 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Cu"
],
"chemical_system": "Ca-Cu",
"density": 5.6142180945465014,
"density_atomic": 0.05669455959796634,
"volume": 105.830260302705,
"volume_molar": 10.622078736838828,
"formula_full": "Ca1 Cu5",
"formula_reduced": "CaCu5",
"formula_anonymous": "AB5",
"mineral_name": null,
"aflow_id": "AB5_hP6_191_a_cg",
"pearson_symbol": "hP6",
"strukturbericht_symbol": "D2_d",
"nsites_wyckoff": 3,
"spacegroup": 191
},
{
"id": 237,
"created_at": "2022-09-04T14:35:36.812518Z",
"updated_at": "2022-09-04T14:35:36.812537Z",
"structure_string": "Mo2 S4\n1.0\n-1.580500 -2.737506 -0.000000\n-1.580500 2.737506 0.000000\n0.000000 0.000000 -12.295000\nMo S\n2 4\ndirect\n0.666670 0.333340 0.750000 Mo\n0.333340 0.666670 0.250000 Mo\n0.666670 0.333340 0.372500 S\n0.333340 0.666670 0.872500 S\n0.333340 0.666670 0.627500 S\n0.666670 0.333330 0.127500 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 4.996673009525922,
"density_atomic": 0.05639532992838749,
"volume": 106.39178824947,
"volume_molar": 10.67843874244037,
"formula_full": "Mo2 S4",
"formula_reduced": "MoS2",
"formula_anonymous": "AB2",
"mineral_name": "Molybdenite",
"aflow_id": "AB2_hP6_194_c_f",
"pearson_symbol": "hP6",
"strukturbericht_symbol": "C7",
"nsites_wyckoff": 2,
"spacegroup": 194
}
]
}