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=nelements&page=5",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=3",
"results": [
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"id": "mp-1186916",
"created_at": "2022-09-04T14:46:06.467887Z",
"structure_string": "Rh4\n1.0\n1.362007 -2.359066 0.000000\n1.362007 2.359066 0.000000\n0.000000 0.000000 8.870532\nRh\n4\ndirect\n0.000000 0.000000 0.000000 Rh\n0.333333 0.666667 0.250000 Rh\n0.000000 0.000000 0.500000 Rh\n0.666667 0.333333 0.750000 Rh\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rh"
],
"chemical_system": "Rh",
"density": 11.990811681777446,
"density_atomic": 0.07017152222113537,
"volume": 57.00318125342329,
"volume_molar": 8.582029531897708,
"formula_full": "Rh4",
"formula_reduced": "Rh",
"formula_anonymous": "A",
"energy": -29.29756298,
"energy_per_atom": -7.324390745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.29756298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2933413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.973000Z",
"spacegroup": 194
},
{
"id": "mp-570316",
"created_at": "2022-09-04T14:45:57.999681Z",
"structure_string": "B48\n1.0\n8.674871 0.000000 0.000000\n0.000000 8.674871 0.000000\n0.000000 0.000000 4.972098\nB\n48\ndirect\n0.829242 0.416037 0.906431 B\n0.583004 0.727210 0.411368 B\n0.583004 0.272790 0.588632 B\n0.125057 0.874943 0.617215 B\n0.374943 0.625057 0.882785 B\n0.583963 0.170758 0.906431 B\n0.416996 0.727210 0.588632 B\n0.272790 0.416996 0.411368 B\n0.416037 0.170758 0.093569 B\n0.416996 0.272790 0.411368 B\n0.755846 0.755846 0.576735 B\n0.255846 0.255846 0.923265 B\n0.329242 0.083963 0.406431 B\n0.170758 0.583963 0.906431 B\n0.244154 0.755846 0.423265 B\n0.416037 0.829242 0.906431 B\n0.772790 0.916996 0.088632 B\n0.255846 0.744154 0.076735 B\n0.083004 0.772790 0.911368 B\n0.670758 0.083963 0.593569 B\n0.227210 0.083004 0.088632 B\n0.727210 0.583004 0.411368 B\n0.916037 0.670758 0.406431 B\n0.244154 0.244154 0.576735 B\n0.916996 0.227210 0.911368 B\n0.829242 0.583963 0.093569 B\n0.083963 0.670758 0.593569 B\n0.625057 0.374943 0.882785 B\n0.916037 0.329242 0.593569 B\n0.744154 0.255846 0.076735 B\n0.125057 0.125057 0.382785 B\n0.744154 0.744154 0.923265 B\n0.227210 0.916996 0.911368 B\n0.772790 0.083004 0.911368 B\n0.272790 0.583004 0.588632 B\n0.916996 0.772790 0.088632 B\n0.083004 0.227210 0.088632 B\n0.727210 0.416996 0.588632 B\n0.670758 0.916037 0.406431 B\n0.583963 0.829242 0.093569 B\n0.625057 0.625057 0.117215 B\n0.170758 0.416037 0.093569 B\n0.755846 0.244154 0.423265 B\n0.874943 0.125057 0.617215 B\n0.083963 0.329242 0.406431 B\n0.374943 0.374943 0.117215 B\n0.874943 0.874943 0.382785 B\n0.329242 0.916037 0.593569 B\n",
"nsites": 48,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.3029816182292575,
"density_atomic": 0.12828489018094494,
"volume": 374.1672143328519,
"volume_molar": 4.694349234353175,
"formula_full": "B48",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -313.15800344,
"energy_per_atom": -6.524125071666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.15800344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.123000Z",
"spacegroup": 134
},
{
"id": "mp-571520",
"created_at": "2022-09-04T14:45:58.119232Z",
"structure_string": "Si8\n1.0\n3.317924 -4.721591 0.000000\n3.317924 4.721591 0.000000\n-3.401162 0.000000 4.661988\nSi\n8\ndirect\n0.981584 0.283376 0.479826 Si\n0.018416 0.716624 0.520174 Si\n0.286929 0.286929 0.286929 Si\n0.716624 0.520174 0.018416 Si\n0.520174 0.018416 0.716624 Si\n0.283376 0.479826 0.981584 Si\n0.713071 0.713071 0.713071 Si\n0.479826 0.981584 0.283376 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.554261157759428,
"density_atomic": 0.05476890293975031,
"volume": 146.06829004408888,
"volume_molar": 10.995547540225125,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -42.11704632,
"energy_per_atom": -5.26463079,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.11704632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001248,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.457000Z",
"spacegroup": 148
},
{
"id": "mp-124",
"created_at": "2022-09-04T14:46:26.019249Z",
"structure_string": "Ag1\n1.0\n0.000000 2.080274 2.080274\n2.080274 0.000000 2.080274\n2.080274 2.080274 0.000000\nAg\n1\ndirect\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.948346655461544,
"density_atomic": 0.05554032041803643,
"volume": 18.004937538589626,
"volume_molar": 10.842826823239468,
"formula_full": "Ag1",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -2.82894684,
"energy_per_atom": -2.82894684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.82894684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003477,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.184000Z",
"spacegroup": 225
},
{
"id": "mp-1178608",
"created_at": "2022-09-04T14:46:26.216241Z",
"structure_string": "Zr1\n1.0\n1.458969 -2.527009 0.000000\n1.458969 2.527009 0.000000\n0.000000 0.000000 7.600479\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 2.7029275000963153,
"density_atomic": 0.01784334152775591,
"volume": 56.04331444558559,
"volume_molar": 33.75007282482578,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -6.74613904,
"energy_per_atom": -6.74613904,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.74613904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0513561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.392000Z",
"spacegroup": 191
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 5.030849068090698,
"density_atomic": 0.037916100872080034,
"volume": 26.374019928203158,
"volume_molar": 15.882806041468449,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -0.97066589,
"energy_per_atom": -0.97066589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.97066589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0652367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
},
{
"id": "mp-570087",
"created_at": "2022-09-04T14:46:30.472046Z",
"structure_string": "Gd3\n1.0\n8.740421 -1.811792 0.000000\n8.740421 1.811792 0.000000\n8.364856 0.000000 3.115562\nGd\n3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.777870 0.777870 0.777870 Gd\n0.222130 0.222130 0.222130 Gd\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 7.938782852451279,
"density_atomic": 0.03040284121911447,
"volume": 98.67498824793651,
"volume_molar": 19.807822290680644,
"formula_full": "Gd3",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -42.16745012,
"energy_per_atom": -14.055816706666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.16745012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.5160219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:32.261000Z",
"spacegroup": 166
},
{
"id": "mp-28",
"created_at": "2022-09-04T14:46:40.447969Z",
"structure_string": "Ce1\n1.0\n0.000000 2.360218 2.360218\n2.360218 0.000000 2.360218\n2.360218 2.360218 0.000000\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.848109284372958,
"density_atomic": 0.038028890054505424,
"volume": 26.295797709760564,
"volume_molar": 15.835699520466374,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -5.93152909,
"energy_per_atom": -5.93152909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.93152909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0453721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.837000Z",
"spacegroup": 225
},
{
"id": "mp-604313",
"created_at": "2022-09-04T14:46:53.760565Z",
"structure_string": "Li4\n1.0\n4.457586 0.000000 0.000000\n0.000000 4.457586 0.000000\n0.000000 0.000000 4.457586\nLi\n4\ndirect\n0.875000 0.125000 0.625000 Li\n0.375000 0.375000 0.375000 Li\n0.125000 0.625000 0.875000 Li\n0.625000 0.875000 0.125000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5205134318254991,
"density_atomic": 0.04516071394621916,
"volume": 88.57255898929115,
"volume_molar": 13.334910442672868,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -6.58849649,
"energy_per_atom": -1.6471241225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58849649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.145000Z",
"spacegroup": 213
},
{
"id": "mp-973198",
"created_at": "2022-09-04T14:47:01.119809Z",
"structure_string": "Na3\n1.0\n9.071428 -1.878269 0.000000\n9.071428 1.878269 0.000000\n8.682526 0.000000 3.229929\nNa\n3\ndirect\n0.000000 0.000000 0.000000 Na\n0.777797 0.777797 0.777797 Na\n0.222203 0.222203 0.222203 Na\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0405154780169257,
"density_atomic": 0.027256170331353812,
"volume": 110.06682022928898,
"volume_molar": 22.094596147546458,
"formula_full": "Na3",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -3.943956650000001,
"energy_per_atom": -1.314652216666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.943956650000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.399000Z",
"spacegroup": 166
},
{
"id": "mp-1079020",
"created_at": "2022-09-04T14:47:15.836084Z",
"structure_string": "Ge8\n1.0\n3.007580 -4.433182 0.000000\n3.007580 4.433182 0.000000\n0.000000 0.000000 5.882045\nGe\n8\ndirect\n0.717993 0.282007 0.500000 Ge\n0.217993 0.782007 0.000000 Ge\n0.282007 0.717993 0.500000 Ge\n0.782007 0.217993 0.000000 Ge\n0.331168 0.331168 0.829096 Ge\n0.668832 0.668832 0.170904 Ge\n0.168832 0.168832 0.329096 Ge\n0.831168 0.831168 0.670904 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.152106319155599,
"density_atomic": 0.05100337312395896,
"volume": 156.8523709315606,
"volume_molar": 11.807338203619878,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -34.47429677,
"energy_per_atom": -4.30928709625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.47429677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034514,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.026000Z",
"spacegroup": 64
}
]
}