Aflow Prototype

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": 276,
            "created_at": "2022-09-04T14:35:36.916251Z",
            "updated_at": "2022-09-04T14:35:36.916281Z",
            "structure_string": "Mg2 Cu4\n1.0\n-3.510000 -3.510000 0.000000\n-3.510000 0.000000 -3.510000\n0.000000 -3.510000 -3.510000\nCu Mg\n4 2\ndirect\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 1.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.875000 0.875000 0.875000 Mg\n0.125000 0.125000 0.125000 Mg\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Cu",
                "Mg"
            ],
            "chemical_system": "Cu-Mg",
            "density": 5.813598265000027,
            "density_atomic": 0.0693745062703107,
            "volume": 86.48710199999998,
            "volume_molar": 8.68062503614129,
            "formula_full": "Mg2 Cu4",
            "formula_reduced": "MgCu2",
            "formula_anonymous": "AB2",
            "mineral_name": "Cubic Laves",
            "aflow_id": "A2B_cF24_227_d_a",
            "pearson_symbol": "cF24",
            "strukturbericht_symbol": "C15",
            "nsites_wyckoff": 2,
            "spacegroup": 227
        },
        {
            "id": 275,
            "created_at": "2022-09-04T14:35:36.882557Z",
            "updated_at": "2022-09-04T14:35:36.882580Z",
            "structure_string": "B2 N2\n1.0\n-1.251995 -2.168519 -0.000000\n-1.251995 2.168519 0.000000\n0.000000 0.000000 -6.661200\nB N\n2 2\ndirect\n0.666670 0.333340 0.750000 B\n0.333340 0.666670 0.250000 B\n0.666670 0.333340 0.250000 N\n0.333340 0.666670 0.750000 N\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "B",
                "N"
            ],
            "chemical_system": "B-N",
            "density": 2.2787271583855198,
            "density_atomic": 0.110588940201346,
            "volume": 36.16998221266357,
            "volume_molar": 5.445518104283907,
            "formula_full": "B2 N2",
            "formula_reduced": "BN",
            "formula_anonymous": "AB",
            "mineral_name": "Boron Nitride",
            "aflow_id": "AB_hP4_194_c_d",
            "pearson_symbol": "hP4",
            "strukturbericht_symbol": "B_k",
            "nsites_wyckoff": 2,
            "spacegroup": 194
        },
        {
            "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": 273,
            "created_at": "2022-09-04T14:35:36.827688Z",
            "updated_at": "2022-09-04T14:35:36.827726Z",
            "structure_string": "Bi2 I6\n1.0\n-3.748130 -6.491952 -0.000000\n3.748130 -6.491952 -0.000000\n-0.000000 -4.327968 6.894077\nBi I\n2 6\ndirect\n0.666670 0.666670 0.999990 Bi\n0.333330 0.333330 0.000010 Bi\n0.912000 0.245000 0.264000 I\n0.579000 0.912000 0.264000 I\n0.245000 0.579000 0.264000 I\n0.088000 0.755000 0.736000 I\n0.421000 0.088000 0.736000 I\n0.755000 0.421000 0.736000 I\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Bi",
                "I"
            ],
            "chemical_system": "Bi-I",
            "density": 5.837267436570668,
            "density_atomic": 0.023844812730146183,
            "volume": 335.5027397588186,
            "volume_molar": 25.25555905241568,
            "formula_full": "Bi2 I6",
            "formula_reduced": "BiI3",
            "formula_anonymous": "AB3",
            "mineral_name": "Bismuth triodide",
            "aflow_id": "AB3_hR8_148_c_f",
            "pearson_symbol": "hR8",
            "strukturbericht_symbol": "D0_5",
            "nsites_wyckoff": 2,
            "spacegroup": 148
        },
        {
            "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": 271,
            "created_at": "2022-09-04T14:35:36.779435Z",
            "updated_at": "2022-09-04T14:35:36.779455Z",
            "structure_string": "Zr1 Pb1 O3\n1.0\n-2.860912 -2.854785 0.024867\n-2.860912 2.854785 0.024867\n0.000000 0.000000 -4.136510\nO Pb Zr\n3 1 1\ndirect\n0.448500 0.448500 0.099400 O\n0.468600 0.955400 0.627100 O\n0.955400 0.468600 0.627100 O\n0.000000 0.000000 0.000000 Pb\n0.477000 0.477000 0.550800 Zr\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "O",
                "Pb",
                "Zr"
            ],
            "chemical_system": "O-Pb-Zr",
            "density": 8.513591992820736,
            "density_atomic": 0.07399937038055472,
            "volume": 67.56814246238345,
            "volume_molar": 8.138097296004123,
            "formula_full": "Zr1 Pb1 O3",
            "formula_reduced": "ZrPbO3",
            "formula_anonymous": "ABC3",
            "mineral_name": "Pb (Zr_0.50 Ti_0.48) O_3",
            "aflow_id": "A3BC_mC10_8_ab_a_a",
            "pearson_symbol": "mC10",
            "strukturbericht_symbol": "None",
            "nsites_wyckoff": 4,
            "spacegroup": 8
        },
        {
            "id": 270,
            "created_at": "2022-09-04T14:35:36.776023Z",
            "updated_at": "2022-09-04T14:35:36.776045Z",
            "structure_string": "Se3\n1.0\n-2.183100 -3.781240 -0.000000\n-2.183100 3.781240 0.000000\n0.000000 0.000000 -4.953600\nSe\n3\ndirect\n0.774600 0.774600 0.666670 Se\n1.000000 0.225400 0.333337 Se\n0.225400 0.000000 0.000003 Se\n",
            "nsites": 3,
            "nelements": 1,
            "elements": [
                "Se"
            ],
            "chemical_system": "Se",
            "density": 4.809707750902154,
            "density_atomic": 0.036682797746207425,
            "volume": 81.7822026759168,
            "volume_molar": 16.41679787257399,
            "formula_full": "Se3",
            "formula_reduced": "Se",
            "formula_anonymous": "A",
            "mineral_name": "alpha Selenium",
            "aflow_id": "A_hP3_152_a",
            "pearson_symbol": "hP3",
            "strukturbericht_symbol": "A8",
            "nsites_wyckoff": 1,
            "spacegroup": 152
        },
        {
            "id": 269,
            "created_at": "2022-09-04T14:35:36.757928Z",
            "updated_at": "2022-09-04T14:35:36.757949Z",
            "structure_string": "Sb8 S12\n1.0\n-0.000000 3.829600 0.000000\n-0.000000 -0.000000 11.225000\n11.282000 -0.000000 0.000000\nSb S\n8 12\ndirect\n0.250000 0.173980 0.970630 Sb\n0.250000 0.326020 0.470630 Sb\n0.750000 0.826020 0.029370 Sb\n0.750000 0.673980 0.529370 Sb\n0.250000 0.963970 0.649390 Sb\n0.250000 0.536030 0.149390 Sb\n0.750000 0.036030 0.350610 Sb\n0.750000 0.463970 0.850610 Sb\n0.250000 0.191810 0.292200 S\n0.250000 0.308190 0.792200 S\n0.750000 0.808190 0.707800 S\n0.750000 0.691810 0.207800 S\n0.250000 0.877000 0.450400 S\n0.250000 0.623000 0.950400 S\n0.750000 0.123000 0.549600 S\n0.750000 0.377000 0.049600 S\n0.250000 0.561100 0.624600 S\n0.250000 0.938900 0.124600 S\n0.750000 0.438900 0.375400 S\n0.750000 0.061100 0.875400 S\n",
            "nsites": 20,
            "nelements": 2,
            "elements": [
                "Sb",
                "S"
            ],
            "chemical_system": "S-Sb",
            "density": 4.65262395779769,
            "density_atomic": 0.04123862117788245,
            "volume": 484.98226732,
            "volume_molar": 14.603157399524939,
            "formula_full": "Sb8 S12",
            "formula_reduced": "Sb2S3",
            "formula_anonymous": "A2B3",
            "mineral_name": "Stibnite",
            "aflow_id": "A3B2_oP20_62_3c_2c",
            "pearson_symbol": "oP20",
            "strukturbericht_symbol": "D5_8",
            "nsites_wyckoff": 5,
            "spacegroup": 62
        },
        {
            "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
        },
        {
            "id": 267,
            "created_at": "2022-09-04T14:35:36.711038Z",
            "updated_at": "2022-09-04T14:35:36.711057Z",
            "structure_string": "Ba1 Sb1 Pt1\n1.0\n-2.267500 -3.927425 -0.000000\n-2.267500 3.927425 0.000000\n0.000000 0.000000 -4.884000\nBa Sb Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333330 0.666660 0.500000 Sb\n0.666670 0.333340 0.500000 Pt\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Ba",
                "Sb",
                "Pt"
            ],
            "chemical_system": "Ba-Pt-Sb",
            "density": 8.669771481057554,
            "density_atomic": 0.034487396311524816,
            "volume": 86.9883006795,
            "volume_molar": 17.461859705505088,
            "formula_full": "Ba1 Sb1 Pt1",
            "formula_reduced": "BaSbPt",
            "formula_anonymous": "ABC",
            "mineral_name": null,
            "aflow_id": "ABC_hP3_187_a_d_f",
            "pearson_symbol": "hP3",
            "strukturbericht_symbol": "None",
            "nsites_wyckoff": 3,
            "spacegroup": 187
        },
        {
            "id": 266,
            "created_at": "2022-09-04T14:35:36.697978Z",
            "updated_at": "2022-09-04T14:35:36.697998Z",
            "structure_string": "V6 N3\n1.0\n0.000000 0.000000 -4.568000\n-2.458500 -4.258247 -0.000000\n-2.458500 4.258247 0.000000\nV N\n6 3\ndirect\n0.728000 0.675000 0.675000 V\n0.728000 1.000000 0.325000 V\n0.728000 0.325000 0.000000 V\n0.272000 0.675000 0.000000 V\n0.272000 0.325000 0.325000 V\n0.272000 1.000000 0.675000 V\n0.000000 0.000000 0.000000 N\n0.500000 0.666670 0.333340 N\n0.500000 0.333330 0.666660 N\n",
            "nsites": 9,
            "nelements": 2,
            "elements": [
                "V",
                "N"
            ],
            "chemical_system": "N-V",
            "density": 6.036122405192121,
            "density_atomic": 0.09409907553790878,
            "volume": 95.64387267943198,
            "volume_molar": 6.399787378967308,
            "formula_full": "V6 N3",
            "formula_reduced": "V2N",
            "formula_anonymous": "AB2",
            "mineral_name": "beta Vanadium nitride",
            "aflow_id": "AB2_hP9_162_ad_k",
            "pearson_symbol": "hP9",
            "strukturbericht_symbol": "None",
            "nsites_wyckoff": 3,
            "spacegroup": 162
        },
        {
            "id": 265,
            "created_at": "2022-09-04T14:35:36.683213Z",
            "updated_at": "2022-09-04T14:35:36.683236Z",
            "structure_string": "V1 Cu3 S4\n1.0\n5.391200 0.000000 0.000000\n-0.000000 5.391200 0.000000\n0.000000 0.000000 5.391200\nV Cu S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.237200 0.237200 0.237200 S\n0.237200 0.762800 0.762800 S\n0.762800 0.237200 0.762800 S\n0.762800 0.762800 0.237200 S\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "V",
                "Cu",
                "S"
            ],
            "chemical_system": "Cu-S-V",
            "density": 3.9192779184645645,
            "density_atomic": 0.05105445645629504,
            "volume": 156.69542984652804,
            "volume_molar": 11.795524187306214,
            "formula_full": "V1 Cu3 S4",
            "formula_reduced": "VCu3S4",
            "formula_anonymous": "AB3C4",
            "mineral_name": "Sulvanite",
            "aflow_id": "A3B4C_cP8_215_d_e_a",
            "pearson_symbol": "cP8",
            "strukturbericht_symbol": "H2_4",
            "nsites_wyckoff": 3,
            "spacegroup": 215
        }
    ]
}