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=density&page=2",
"previous": null,
"results": [
{
"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": 178,
"created_at": "2022-09-04T14:35:37.114153Z",
"updated_at": "2022-09-04T14:35:37.114184Z",
"structure_string": "N8\n1.0\n5.650000 0.000000 0.000000\n-0.000000 5.650000 0.000000\n0.000000 0.000000 5.650000\nN\n8\ndirect\n0.069900 0.069900 0.069900 N\n0.569900 0.430100 0.930100 N\n0.930100 0.569900 0.430100 N\n0.430100 0.930100 0.569900 N\n0.962200 0.962200 0.962200 N\n0.462200 0.537800 0.037800 N\n0.037800 0.462200 0.537800 N\n0.537800 0.037800 0.462200 N\n",
"nsites": 8,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.0316433139893961,
"density_atomic": 0.04435521038577251,
"volume": 180.36212500000002,
"volume_molar": 13.57707630653394,
"formula_full": "N8",
"formula_reduced": "N",
"formula_anonymous": "A",
"mineral_name": null,
"aflow_id": "A_cP8_198_2a",
"pearson_symbol": "cP8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 2,
"spacegroup": 198
},
{
"id": 130,
"created_at": "2022-09-04T14:35:36.929723Z",
"updated_at": "2022-09-04T14:35:36.929746Z",
"structure_string": "N8\n1.0\n5.650000 0.000000 0.000000\n-0.000000 5.650000 0.000000\n0.000000 0.000000 5.650000\nN\n8\ndirect\n0.055690 0.055690 0.055690 N\n0.555690 0.444310 0.944310 N\n0.944310 0.555690 0.444310 N\n0.444310 0.944310 0.555690 N\n0.944310 0.944310 0.944310 N\n0.444310 0.555690 0.055690 N\n0.055690 0.444310 0.555690 N\n0.555690 0.055690 0.444310 N\n",
"nsites": 8,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.0316433139893961,
"density_atomic": 0.04435521038577251,
"volume": 180.36212500000002,
"volume_molar": 13.57707630653394,
"formula_full": "N8",
"formula_reduced": "N",
"formula_anonymous": "A",
"mineral_name": "Cubic alpha N2",
"aflow_id": "A_cP8_205_c",
"pearson_symbol": "cP8",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 1,
"spacegroup": 205
},
{
"id": 102,
"created_at": "2022-09-04T14:35:37.136679Z",
"updated_at": "2022-09-04T14:35:37.136688Z",
"structure_string": "C4 O4\n1.0\n5.630000 0.000000 0.000000\n-0.000000 5.630000 0.000000\n0.000000 0.000000 5.630000\nC O\n4 4\ndirect\n0.958000 0.958000 0.958000 C\n0.458000 0.542000 0.042000 C\n0.042000 0.458000 0.542000 C\n0.542000 0.042000 0.458000 C\n0.067000 0.067000 0.067000 O\n0.567000 0.433000 0.933000 O\n0.933000 0.567000 0.433000 O\n0.433000 0.933000 0.567000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"C",
"O"
],
"chemical_system": "C-O",
"density": 1.0425540111987277,
"density_atomic": 0.04482959366450699,
"volume": 178.453547,
"volume_molar": 13.433404739440945,
"formula_full": "C4 O4",
"formula_reduced": "CO",
"formula_anonymous": "AB",
"mineral_name": "alpha carbon monoxide",
"aflow_id": "AB_cP8_198_a_a",
"pearson_symbol": "cP8",
"strukturbericht_symbol": "B21",
"nsites_wyckoff": 2,
"spacegroup": 198
},
{
"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": 279,
"created_at": "2022-09-04T14:35:36.970851Z",
"updated_at": "2022-09-04T14:35:36.970874Z",
"structure_string": "Li8\n1.0\n-2.635800 -2.635800 2.635800\n-2.635800 2.635800 -2.635800\n2.635800 -2.635800 -2.635800\nLi\n8\ndirect\n0.902000 0.902000 0.902000 Li\n1.000000 0.500000 0.598000 Li\n0.500000 0.598000 0.000000 Li\n0.598000 1.000000 0.500000 Li\n0.402000 0.402000 0.402000 Li\n1.000000 0.500000 0.098000 Li\n0.500000 0.098000 0.000000 Li\n0.098000 1.000000 0.500000 Li\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 1.2588204123554358,
"density_atomic": 0.1092176014606748,
"volume": 73.24826669884801,
"volume_molar": 5.513892156081042,
"formula_full": "Li8",
"formula_reduced": "Li",
"formula_anonymous": "A",
"mineral_name": "High pressure (38.9 GPa) phase of lithium",
"aflow_id": "A_cI16_220_c",
"pearson_symbol": "cI16",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 1,
"spacegroup": 220
},
{
"id": 181,
"created_at": "2022-09-04T14:35:36.460658Z",
"updated_at": "2022-09-04T14:35:36.460679Z",
"structure_string": "H8 C8\n1.0\n3.148565 1.817825 3.911220\n-3.148565 1.817825 3.911220\n-0.000000 -3.635650 3.911220\nC H\n8 8\ndirect\n0.115460 0.115460 0.115460 C\n0.884540 0.884540 0.884540 C\n0.107060 0.812890 0.195190 C\n0.195190 0.107060 0.812890 C\n0.812890 0.195190 0.107060 C\n0.892940 0.187110 0.804810 C\n0.804810 0.892940 0.187110 C\n0.187110 0.804810 0.892940 C\n0.210000 0.210000 0.210000 H\n0.790000 0.790000 0.790000 H\n0.184800 0.675400 0.346800 H\n0.346800 0.184800 0.675400 H\n0.675400 0.346800 0.184800 H\n0.815200 0.324600 0.653200 H\n0.653200 0.815200 0.324600 H\n0.324600 0.653200 0.815200 H\n",
"nsites": 16,
"nelements": 2,
"elements": [
"C",
"H"
],
"chemical_system": "C-H",
"density": 1.2875866688331292,
"density_atomic": 0.11912193843738265,
"volume": 134.31614872864515,
"volume_molar": 5.055442212406225,
"formula_full": "H8 C8",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"mineral_name": "Cubane",
"aflow_id": "AB_hR16_148_cf_cf",
"pearson_symbol": "hR16",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 4,
"spacegroup": 148
},
{
"id": 225,
"created_at": "2022-09-04T14:35:36.593508Z",
"updated_at": "2022-09-04T14:35:36.593542Z",
"structure_string": "Li3 N1\n1.0\n-1.828800 -3.167575 -0.000000\n-1.828800 3.167575 0.000000\n0.000000 0.000000 -3.873500\nLi N\n3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.666670 0.333340 1.000000 Li\n0.333340 0.666670 0.000000 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.2887603186433403,
"density_atomic": 0.08913193105257543,
"volume": 44.87729540651999,
"volume_molar": 6.75643474665412,
"formula_full": "Li3 N1",
"formula_reduced": "Li3N",
"formula_anonymous": "AB3",
"mineral_name": null,
"aflow_id": "A3B_hP4_191_bc_a",
"pearson_symbol": "hP4",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 191
},
{
"id": 72,
"created_at": "2022-09-04T14:35:37.127471Z",
"updated_at": "2022-09-04T14:35:37.127491Z",
"structure_string": "O2\n1.0\n-1.644500 -2.848358 -0.000000\n1.644500 -2.848358 -0.000000\n-0.000000 -1.898905 3.760333\nO\n2\ndirect\n0.945700 0.945700 0.162900 O\n0.054300 0.054300 0.837100 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.5083357915666677,
"density_atomic": 0.05677344433728469,
"volume": 35.22773760419085,
"volume_molar": 10.607319725439122,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"mineral_name": "beta oxygen",
"aflow_id": "A_hR2_166_c",
"pearson_symbol": "hR2",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 1,
"spacegroup": 166
},
{
"id": 117,
"created_at": "2022-09-04T14:35:36.593471Z",
"updated_at": "2022-09-04T14:35:36.593495Z",
"structure_string": "O2\n1.0\n1.997479 1.716500 -1.818841\n-1.997479 1.716500 1.818841\n1.997479 -1.716500 3.260159\nO\n2\ndirect\n0.106000 0.067000 0.173000 O\n0.894000 0.933000 0.827000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.5256276496209566,
"density_atomic": 0.05742430626486231,
"volume": 34.828457322153,
"volume_molar": 10.487093622382902,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"mineral_name": "alpha oxygen",
"aflow_id": "A_mC4_12_i",
"pearson_symbol": "mC4",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 1,
"spacegroup": 12
},
{
"id": 277,
"created_at": "2022-09-04T14:35:36.928355Z",
"updated_at": "2022-09-04T14:35:36.928383Z",
"structure_string": "C2 N2 Cl2\n1.0\n0.000000 -3.980000 -0.000000\n-5.680000 0.000000 -0.000000\n0.000000 0.000000 -5.740000\nC N Cl\n2 2 2\ndirect\n0.750000 0.750000 0.850100 C\n0.250000 0.250000 0.149900 C\n0.750000 0.750000 0.374500 N\n0.250000 0.250000 0.625500 N\n0.750000 0.750000 0.576300 Cl\n0.250000 0.250000 0.423700 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 1.573264822411745,
"density_atomic": 0.04623894858302901,
"volume": 129.76073599999998,
"volume_molar": 13.02395695521999,
"formula_full": "C2 N2 Cl2",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"mineral_name": "Cyanogen Chloride",
"aflow_id": "ABC_oP6_59_a_a_a",
"pearson_symbol": "oP6",
"strukturbericht_symbol": "None",
"nsites_wyckoff": 3,
"spacegroup": 59
},
{
"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
}
]
}