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=-energy_uncorrected&page=59",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=57",
"results": [
{
"id": "mp-975461",
"created_at": "2022-09-04T14:41:04.670946Z",
"structure_string": "Hg3 Sb1\n1.0\n-2.201044 2.201044 5.416847\n2.201044 -2.201044 5.416847\n2.201044 2.201044 -5.416847\nHg Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Sb"
],
"chemical_system": "Hg-Sb",
"density": 11.44568083727849,
"density_atomic": 0.038106229801083906,
"volume": 104.969712849583,
"volume_molar": 15.803559657924238,
"formula_full": "Hg3 Sb1",
"formula_reduced": "Hg3Sb",
"formula_anonymous": "AB3",
"energy": -4.61293899,
"energy_per_atom": -1.1532347475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.42093899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.832000Z",
"spacegroup": 139
},
{
"id": "mp-1096597",
"created_at": "2022-09-04T14:48:03.317115Z",
"structure_string": "Mg2 Cd1 Au1\n1.0\n-5.516789 5.953768 8.411896\n5.516789 -5.953768 8.411896\n5.516789 5.953768 -8.411896\nMg Cd Au\n2 1 1\ndirect\n0.000000 0.264358 0.264358 Mg\n0.000000 0.735642 0.735642 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Mg",
"density": 0.53787935603237,
"density_atomic": 0.0036193270108152618,
"volume": 1105.1778377712797,
"volume_molar": 166.38841259727727,
"formula_full": "Mg2 Cd1 Au1",
"formula_reduced": "Mg2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.42390708,
"energy_per_atom": -1.10597677,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.42390708,
"band_gap": 0.008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.341000Z",
"spacegroup": 71
},
{
"id": "mp-10753",
"created_at": "2022-09-04T14:44:26.199202Z",
"structure_string": "Er1\n1.0\n-1.981163 1.981163 1.981163\n1.981163 -1.981163 1.981163\n1.981163 1.981163 -1.981163\nEr\n1\ndirect\n0.000000 0.000000 0.000000 Er\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 8.929311557089699,
"density_atomic": 0.03214988198259702,
"volume": 31.104313245731593,
"volume_molar": 18.73145526089281,
"formula_full": "Er1",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -4.42483749,
"energy_per_atom": -4.42483749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.42483749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0125177,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.783000Z",
"spacegroup": 229
},
{
"id": "mp-1226718",
"created_at": "2022-09-04T14:48:09.876084Z",
"structure_string": "Cd1 Au1\n1.0\n1.560463 -2.702802 0.000000\n1.560463 2.702802 0.000000\n0.000000 0.000000 4.668022\nCd Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Au"
],
"chemical_system": "Au-Cd",
"density": 13.046899678499082,
"density_atomic": 0.05079247770071684,
"volume": 39.375909397146295,
"volume_molar": 11.856363447131088,
"formula_full": "Cd1 Au1",
"formula_reduced": "CdAu",
"formula_anonymous": "AB",
"energy": -4.43435449,
"energy_per_atom": -2.217177245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.43435449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.203000Z",
"spacegroup": 187
},
{
"id": "mp-1038869",
"created_at": "2022-09-04T14:43:23.853342Z",
"structure_string": "Mg1 Cd3\n1.0\n1.634658 -2.831310 0.000000\n1.634658 2.831310 0.000000\n0.000000 0.000000 9.630780\nMg Cd\n1 3\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.747313 Cd\n0.666667 0.333333 0.252687 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.734374496634091,
"density_atomic": 0.04486980750383053,
"volume": 89.14680544726029,
"volume_molar": 13.421365267693407,
"formula_full": "Mg1 Cd3",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy": -4.4365191,
"energy_per_atom": -1.109129775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.4365191,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019757,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.730000Z",
"spacegroup": 187
},
{
"id": "mp-7236",
"created_at": "2022-09-04T14:39:27.576899Z",
"structure_string": "Ho1\n1.0\n-1.991490 1.991490 1.991490\n1.991490 -1.991490 1.991490\n1.991490 1.991490 -1.991490\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.66872483624529,
"density_atomic": 0.03165232517078593,
"volume": 31.593255617219796,
"volume_molar": 19.02590323935583,
"formula_full": "Ho1",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -4.43741302,
"energy_per_atom": -4.43741302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.43741302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0125212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.655000Z",
"spacegroup": 229
},
{
"id": "mp-10660",
"created_at": "2022-09-04T14:41:03.979800Z",
"structure_string": "Tm1\n1.0\n0.000000 2.466474 2.466474\n2.466474 0.000000 2.466474\n2.466474 2.466474 0.000000\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.347749844983595,
"density_atomic": 0.03332271502332962,
"volume": 30.009559524183082,
"volume_molar": 18.072179160022916,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -4.44439962,
"energy_per_atom": -4.44439962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.44439962,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.174000Z",
"spacegroup": 225
},
{
"id": "mp-1096321",
"created_at": "2022-09-04T14:46:59.865391Z",
"structure_string": "Mg2 Zn1 Au1\n1.0\n-5.371416 5.643807 7.976551\n5.371416 -5.643807 7.976551\n5.371416 5.643807 -7.976551\nMg Zn Au\n2 1 1\ndirect\n0.000000 0.257701 0.257701 Mg\n0.000000 0.742299 0.742299 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Au"
],
"chemical_system": "Au-Mg-Zn",
"density": 0.5338918040918875,
"density_atomic": 0.004135460827074951,
"volume": 967.2440792600221,
"volume_molar": 145.62199986451125,
"formula_full": "Mg2 Zn1 Au1",
"formula_reduced": "Mg2ZnAu",
"formula_anonymous": "ABC2",
"energy": -4.44529982,
"energy_per_atom": -1.111324955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.44529982,
"band_gap": 0.0030000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.977000Z",
"spacegroup": 71
},
{
"id": "mp-1184861",
"created_at": "2022-09-04T14:47:32.646504Z",
"structure_string": "K3 Be1\n1.0\n0.000000 4.483526 4.483526\n4.483526 0.000000 4.483526\n4.483526 4.483526 0.000000\nK Be\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Be\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Be"
],
"chemical_system": "Be-K",
"density": 1.1635571683158192,
"density_atomic": 0.022190695696149107,
"volume": 180.25572766040614,
"volume_molar": 27.13813411917978,
"formula_full": "K3 Be1",
"formula_reduced": "K3Be",
"formula_anonymous": "AB3",
"energy": -4.44644407,
"energy_per_atom": -1.1116110175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.44644407,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0131663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.501000Z",
"spacegroup": 225
},
{
"id": "mp-632319",
"created_at": "2022-09-04T14:39:23.697847Z",
"structure_string": "Cs1 H1\n1.0\n3.858608 0.000000 0.000000\n0.000000 3.858608 0.000000\n0.000000 0.000000 3.858608\nCs H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"H"
],
"chemical_system": "Cs-H",
"density": 3.870625262107667,
"density_atomic": 0.03481272460499825,
"volume": 57.45025770585188,
"volume_molar": 17.29867693014574,
"formula_full": "Cs1 H1",
"formula_reduced": "CsH",
"formula_anonymous": "AB",
"energy": -4.62937664,
"energy_per_atom": -2.31468832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45037664,
"band_gap": 2.5693,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002057,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.697000Z",
"spacegroup": 221
},
{
"id": "mp-1039010",
"created_at": "2022-09-04T14:47:39.877710Z",
"structure_string": "Mg1 Al1\n1.0\n0.000000 2.875805 2.875805\n2.875805 0.000000 2.875805\n2.875805 2.875805 0.000000\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 1.7903757519655656,
"density_atomic": 0.04204571058867863,
"volume": 47.56727789822458,
"volume_molar": 14.322842153657268,
"formula_full": "Mg1 Al1",
"formula_reduced": "MgAl",
"formula_anonymous": "AB",
"energy": -4.45398604,
"energy_per_atom": -2.22699302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45398604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.414000Z",
"spacegroup": 225
},
{
"id": "mp-1093583",
"created_at": "2022-09-04T14:48:12.060693Z",
"structure_string": "Na2 Hg1 Bi1\n1.0\n-6.194895 6.387509 9.005080\n6.194895 -6.387509 9.005080\n6.194895 6.387509 -9.005080\nNa Hg Bi\n2 1 1\ndirect\n0.000000 0.259856 0.259856 Na\n0.000000 0.740144 0.740144 Na\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Na",
"density": 0.5307280583351984,
"density_atomic": 0.0028063830576147554,
"volume": 1425.322173730532,
"volume_molar": 214.587268963861,
"formula_full": "Na2 Hg1 Bi1",
"formula_reduced": "Na2HgBi",
"formula_anonymous": "ABC2",
"energy": -4.45521744,
"energy_per_atom": -1.11380436,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45521744,
"band_gap": 0.0071000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0096893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.495000Z",
"spacegroup": 71
}
]
}