HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10164",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10162",
"results": [
{
"id": "mp-1226821",
"created_at": "2022-09-04T14:43:09.801629Z",
"structure_string": "Ca2 Al2 Ga2\n1.0\n2.279782 5.319987 0.000000\n-2.279782 5.319987 0.000000\n0.000000 4.995982 5.463890\nCa Al Ga\n2 2 2\ndirect\n0.546458 0.546458 0.200622 Ca\n0.453542 0.453542 0.799378 Ca\n0.162249 0.162249 0.403669 Al\n0.837751 0.837751 0.596331 Al\n0.839950 0.839950 0.218431 Ga\n0.160050 0.160050 0.781569 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ga"
],
"chemical_system": "Al-Ca-Ga",
"density": 3.427472021248148,
"density_atomic": 0.04527051299379316,
"volume": 132.53660281743734,
"volume_molar": 13.30256796698034,
"formula_full": "Ca2 Al2 Ga2",
"formula_reduced": "CaAlGa",
"formula_anonymous": "ABC",
"energy": -20.04711557,
"energy_per_atom": -3.341185928333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.04711557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.027000Z",
"spacegroup": 12
},
{
"id": "mp-10000",
"created_at": "2022-09-04T14:43:03.057723Z",
"structure_string": "Hf4 S2\n1.0\n1.693339 -2.932950 0.000000\n1.693339 2.932950 0.000000\n0.000000 0.000000 11.787358\nHf S\n4 2\ndirect\n0.666667 0.333333 0.899523 Hf\n0.333333 0.666667 0.399523 Hf\n0.666667 0.333333 0.600477 Hf\n0.333333 0.666667 0.100477 Hf\n0.000000 0.000000 0.750000 S\n0.000000 0.000000 0.250000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"S"
],
"chemical_system": "Hf-S",
"density": 11.035293578624938,
"density_atomic": 0.05124555612952432,
"volume": 117.08332298775063,
"volume_molar": 11.75153752801297,
"formula_full": "Hf4 S2",
"formula_reduced": "Hf2S",
"formula_anonymous": "AB2",
"energy": -55.27696078,
"energy_per_atom": -9.212826796666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.27096078000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0171909,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.876000Z",
"spacegroup": 194
},
{
"id": "mp-1077107",
"created_at": "2022-09-04T14:43:11.586890Z",
"structure_string": "Hg3 O3\n1.0\n1.873653 -3.245262 0.000000\n1.873653 3.245262 0.000000\n0.000000 0.000000 8.899035\nHg O\n3 3\ndirect\n0.765327 0.765327 0.000000 Hg\n0.234673 0.000000 0.666667 Hg\n0.000000 0.234673 0.333333 Hg\n0.444925 0.444925 0.500000 O\n0.555075 0.000000 0.166667 O\n0.000000 0.555075 0.833333 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"O"
],
"chemical_system": "Hg-O",
"density": 9.970012724699668,
"density_atomic": 0.055442066904365,
"volume": 108.22107354600836,
"volume_molar": 10.862042301539576,
"formula_full": "Hg3 O3",
"formula_reduced": "HgO",
"formula_anonymous": "AB",
"energy": -19.57165152,
"energy_per_atom": -3.26194192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.51065152,
"band_gap": 1.2712,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.301000Z",
"spacegroup": 154
},
{
"id": "mp-1077077",
"created_at": "2022-09-04T14:43:02.172837Z",
"structure_string": "Cr2 Ni4\n1.0\n0.000000 3.315709 3.315709\n3.315709 0.000000 3.315709\n3.315709 3.315709 0.000000\nCr Ni\n2 4\ndirect\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.625000 0.625000 0.125000 Ni\n0.625000 0.125000 0.625000 Ni\n0.125000 0.625000 0.625000 Ni\n0.625000 0.625000 0.625000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 7.715950578168454,
"density_atomic": 0.08229852097524305,
"volume": 72.90531991218789,
"volume_molar": 7.317434977733772,
"formula_full": "Cr2 Ni4",
"formula_reduced": "CrNi2",
"formula_anonymous": "AB2",
"energy": -41.2852904,
"energy_per_atom": -6.880881733333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.2852904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1697225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.667000Z",
"spacegroup": 227
},
{
"id": "mp-1147589",
"created_at": "2022-09-04T14:43:11.643218Z",
"structure_string": "Ba2 Cu1 Se1 O2\n1.0\n4.052729 0.000000 0.000000\n0.000000 4.052729 0.000000\n0.000000 0.000000 7.561782\nBa Cu Se O\n2 1 1 2\ndirect\n0.500000 0.500000 0.748754 Ba\n0.500000 0.500000 0.251246 Ba\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Se\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"Se",
"O"
],
"chemical_system": "Ba-Cu-O-Se",
"density": 6.00523115889718,
"density_atomic": 0.04830943623642379,
"volume": 124.19933800585711,
"volume_molar": 12.465764929501487,
"formula_full": "Ba2 Cu1 Se1 O2",
"formula_reduced": "Ba2CuSeO2",
"formula_anonymous": "ABC2D2",
"energy": -33.65998877,
"energy_per_atom": -5.609998128333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.81398877,
"band_gap": 0.4947000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.093429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.930000Z",
"spacegroup": 123
},
{
"id": "mp-1071565",
"created_at": "2022-09-04T14:43:01.980619Z",
"structure_string": "Ca2 C4\n1.0\n6.778993 9.339547 0.000000\n-6.778993 9.339547 0.000000\n0.000000 9.005348 18.990895\nCa C\n2 4\ndirect\n0.446257 0.446257 0.245079 Ca\n0.553743 0.553743 0.754921 Ca\n0.985174 0.985174 0.478085 C\n0.014826 0.014826 0.521915 C\n0.577070 0.577070 0.211095 C\n0.422930 0.422930 0.788905 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 0.08852514194436198,
"density_atomic": 0.002495082009061674,
"volume": 2404.730577275262,
"volume_molar": 241.36043377046144,
"formula_full": "Ca2 C4",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy": -19.12794662,
"energy_per_atom": -3.1879911033333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.12794662,
"band_gap": 0.6480000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0026537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.194000Z",
"spacegroup": 12
},
{
"id": "mp-3481",
"created_at": "2022-09-04T14:43:11.683528Z",
"structure_string": "K2 Sn2 As2\n1.0\n2.090159 -3.620261 0.000000\n2.090159 3.620261 0.000000\n0.000000 0.000000 12.961539\nK Sn As\n2 2 2\ndirect\n0.333333 0.666667 0.995746 K\n0.666667 0.333333 0.495746 K\n0.000000 0.000000 0.276266 Sn\n0.000000 0.000000 0.776266 Sn\n0.333333 0.666667 0.673088 As\n0.666667 0.333333 0.173088 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Sn",
"As"
],
"chemical_system": "As-K-Sn",
"density": 3.940265654527008,
"density_atomic": 0.03058760530325758,
"volume": 196.15788619323527,
"volume_molar": 19.68817336399539,
"formula_full": "K2 Sn2 As2",
"formula_reduced": "KSnAs",
"formula_anonymous": "ABC",
"energy": -21.93658005,
"energy_per_atom": -3.656096675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.93658005,
"band_gap": 0.3351999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014337,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.369000Z",
"spacegroup": 186
},
{
"id": "mp-1018650",
"created_at": "2022-09-04T14:43:06.557309Z",
"structure_string": "Ba2 Cl1 F3\n1.0\n2.248829 -3.895086 0.000000\n2.248829 3.895086 0.000000\n0.000000 0.000000 7.500756\nBa Cl F\n2 1 3\ndirect\n0.666667 0.333333 0.201239 Ba\n0.333333 0.666667 0.798761 Ba\n0.000000 0.000000 0.500000 Cl\n0.000000 0.000000 0.000000 F\n0.666667 0.333333 0.835733 F\n0.333333 0.666667 0.164267 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F",
"density": 4.639034242288865,
"density_atomic": 0.0456607176038821,
"volume": 131.40397950052972,
"volume_molar": 13.188887682939075,
"formula_full": "Ba2 Cl1 F3",
"formula_reduced": "Ba2ClF3",
"formula_anonymous": "AB2C3",
"energy": -34.3561181,
"energy_per_atom": -5.726019683333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.3561181,
"band_gap": 5.7361,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.697000Z",
"spacegroup": 164
},
{
"id": "mp-981699",
"created_at": "2022-09-04T14:43:01.745727Z",
"structure_string": "Sm2 Zn2 In2\n1.0\n2.357636 -4.083545 0.000000\n2.357636 4.083545 0.000000\n0.000000 0.000000 7.487931\nSm Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"In"
],
"chemical_system": "In-Sm-Zn",
"density": 7.614807603338692,
"density_atomic": 0.041614561307738544,
"volume": 144.18030159275654,
"volume_molar": 14.471234516847202,
"formula_full": "Sm2 Zn2 In2",
"formula_reduced": "SmZnIn",
"formula_anonymous": "ABC",
"energy": -20.16096637,
"energy_per_atom": -3.3601610616666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.16096637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.731000Z",
"spacegroup": 194
},
{
"id": "mp-989651",
"created_at": "2022-09-04T14:43:11.733046Z",
"structure_string": "Hf1 Te1 Se4\n1.0\n3.866784 0.000000 0.000000\n0.000000 6.626862 0.000000\n0.000000 0.044170 6.848596\nHf Te Se\n1 1 4\ndirect\n0.500000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Te\n0.000000 0.764742 0.343347 Se\n0.500000 0.242407 0.182780 Se\n0.500000 0.757593 0.817220 Se\n0.000000 0.235258 0.656653 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Te",
"Se"
],
"chemical_system": "Hf-Se-Te",
"density": 5.884793343071307,
"density_atomic": 0.03418943019413763,
"volume": 175.49283406977645,
"volume_molar": 17.614042485658626,
"formula_full": "Hf1 Te1 Se4",
"formula_reduced": "HfTeSe4",
"formula_anonymous": "ABC4",
"energy": -32.92968446,
"energy_per_atom": -5.488280743333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.04168446,
"band_gap": 0.9563,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0063012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.416000Z",
"spacegroup": 10
},
{
"id": "mp-1094502",
"created_at": "2022-09-04T14:43:06.458364Z",
"structure_string": "Mg4 Ti2\n1.0\n1.500201 -8.077701 0.000000\n1.500201 8.077701 0.000000\n0.000000 0.000000 5.083847\nMg Ti\n4 2\ndirect\n0.555206 0.444794 0.250000 Mg\n0.222349 0.777651 0.250000 Mg\n0.777651 0.222349 0.750000 Mg\n0.444794 0.555206 0.750000 Mg\n0.891936 0.108064 0.250000 Ti\n0.108064 0.891936 0.750000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.600418169714821,
"density_atomic": 0.04869580602100815,
"volume": 123.21389643723126,
"volume_molar": 12.366857132217818,
"formula_full": "Mg4 Ti2",
"formula_reduced": "Mg2Ti",
"formula_anonymous": "AB2",
"energy": -20.76045589,
"energy_per_atom": -3.4600759816666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.76045589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4748528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.461000Z",
"spacegroup": 63
},
{
"id": "mp-1222935",
"created_at": "2022-09-04T14:43:03.127291Z",
"structure_string": "La2 Al2 Zn2\n1.0\n2.349743 5.391614 0.000000\n-2.349743 5.391614 0.000000\n0.000000 5.357676 5.540558\nLa Al Zn\n2 2 2\ndirect\n0.463574 0.463574 0.789653 La\n0.536426 0.536426 0.210347 La\n0.837644 0.837644 0.604900 Al\n0.162356 0.162356 0.395100 Al\n0.163876 0.163876 0.778831 Zn\n0.836124 0.836124 0.221169 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Zn"
],
"chemical_system": "Al-La-Zn",
"density": 5.471728919820819,
"density_atomic": 0.042739416862264526,
"volume": 140.38563088813498,
"volume_molar": 14.09036716482921,
"formula_full": "La2 Al2 Zn2",
"formula_reduced": "LaAlZn",
"formula_anonymous": "ABC",
"energy": -22.52633555,
"energy_per_atom": -3.754389258333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.52633555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.217000Z",
"spacegroup": 12
}
]
}