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=-id&page=13",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=11",
"results": [
{
"id": "mp-999139",
"created_at": "2022-09-04T14:45:30.232458Z",
"structure_string": "Ta1 Hg1 S2\n1.0\n9.748394 -1.689713 0.000000\n9.748394 1.689713 0.000000\n9.455512 0.000000 2.911977\nTa Hg S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Hg\n0.719405 0.719405 0.719405 S\n0.280595 0.280595 0.280595 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Hg",
"S"
],
"chemical_system": "Hg-S-Ta",
"density": 7.714299167770317,
"density_atomic": 0.04169615765813602,
"volume": 95.93210081359845,
"volume_molar": 14.442915362550009,
"formula_full": "Ta1 Hg1 S2",
"formula_reduced": "TaHgS2",
"formula_anonymous": "ABC2",
"energy": -24.46670613,
"energy_per_atom": -6.1166765325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.46070613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.427000Z",
"spacegroup": 166
},
{
"id": "mp-999138",
"created_at": "2022-09-04T14:41:01.334933Z",
"structure_string": "Sm1 Tl1 S2\n1.0\n7.627000 -2.065006 0.000000\n7.627000 2.065006 0.000000\n7.067901 0.000000 3.532727\nSm Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tl\n0.733731 0.733731 0.733731 S\n0.266269 0.266269 0.266269 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tl",
"S"
],
"chemical_system": "S-Sm-Tl",
"density": 6.250527039146791,
"density_atomic": 0.035945526885515146,
"volume": 111.27949279307595,
"volume_molar": 16.753519232532724,
"formula_full": "Sm1 Tl1 S2",
"formula_reduced": "SmTlS2",
"formula_anonymous": "ABC2",
"energy": -22.22125596,
"energy_per_atom": -5.55531399,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.21525596,
"band_gap": 1.7401999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023171,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.643000Z",
"spacegroup": 166
},
{
"id": "mp-999137",
"created_at": "2022-09-04T14:42:16.588506Z",
"structure_string": "Sm1 Tl1 Se2\n1.0\n7.846856 -2.143267 0.000000\n7.846856 2.143267 0.000000\n7.261450 0.000000 3.665800\nSm Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tl\n0.736137 0.736137 0.736137 Se\n0.263863 0.263863 0.263863 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tl",
"Se"
],
"chemical_system": "Se-Sm-Tl",
"density": 6.904156126320365,
"density_atomic": 0.03244062918963459,
"volume": 123.30217076301582,
"volume_molar": 18.56357570871095,
"formula_full": "Sm1 Tl1 Se2",
"formula_reduced": "SmTlSe2",
"formula_anonymous": "ABC2",
"energy": -20.53200703,
"energy_per_atom": -5.1330017575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.58800703,
"band_gap": 1.6343,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024058,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.852000Z",
"spacegroup": 166
},
{
"id": "mp-999136",
"created_at": "2022-09-04T14:44:46.882953Z",
"structure_string": "Ta1 In1 Se2\n1.0\n1.721572 -2.981850 0.000000\n1.721572 2.981850 0.000000\n0.000000 0.000000 9.486184\nTa In Se\n1 1 2\ndirect\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.000000 In\n0.666667 0.333333 0.677506 Se\n0.666667 0.333333 0.322494 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"In",
"Se"
],
"chemical_system": "In-Se-Ta",
"density": 7.735205164540862,
"density_atomic": 0.041070261498499315,
"volume": 97.3940718674547,
"volume_molar": 14.663020249384207,
"formula_full": "Ta1 In1 Se2",
"formula_reduced": "TaInSe2",
"formula_anonymous": "ABC2",
"energy": -25.10422542,
"energy_per_atom": -6.276056355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.16022542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.866000Z",
"spacegroup": 187
},
{
"id": "mp-999135",
"created_at": "2022-09-04T14:40:07.826963Z",
"structure_string": "Ta1 Cu1 N2\n1.0\n5.116252 -1.577452 0.000000\n5.116252 1.577452 0.000000\n4.629889 0.000000 2.688590\nTa Cu N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.761755 0.761755 0.761755 N\n0.238245 0.238245 0.238245 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"N"
],
"chemical_system": "Cu-N-Ta",
"density": 10.42712431254258,
"density_atomic": 0.09217164452098275,
"volume": 43.3972944801848,
"volume_molar": 6.533615399071097,
"formula_full": "Ta1 Cu1 N2",
"formula_reduced": "TaCuN2",
"formula_anonymous": "ABC2",
"energy": -34.46883194,
"energy_per_atom": -8.617207985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.74683194,
"band_gap": 0.3733000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.473000Z",
"spacegroup": 166
},
{
"id": "mp-999133",
"created_at": "2022-09-04T14:44:49.850233Z",
"structure_string": "Ta2 Pd2\n1.0\n3.325239 0.000000 0.000000\n0.000000 3.325239 0.000000\n0.000000 0.000000 6.060798\nTa Pd\n2 2\ndirect\n0.000000 0.500000 0.855738 Ta\n0.500000 0.000000 0.144262 Ta\n0.000000 0.500000 0.369137 Pd\n0.500000 0.000000 0.630863 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 14.241042305083717,
"density_atomic": 0.05968764592616709,
"volume": 67.01554296425013,
"volume_molar": 10.08942582096355,
"formula_full": "Ta2 Pd2",
"formula_reduced": "TaPd",
"formula_anonymous": "AB",
"energy": -35.53333869,
"energy_per_atom": -8.8833346725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.53333869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017455,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.205000Z",
"spacegroup": 129
},
{
"id": "mp-999132",
"created_at": "2022-09-04T14:44:50.913075Z",
"structure_string": "Sm1 Tl1 Te2\n1.0\n8.322239 -2.265825 0.000000\n8.322239 2.265825 0.000000\n7.705342 0.000000 3.875735\nSm Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Tl\n0.738836 0.738836 0.738836 Te\n0.261164 0.261164 0.261164 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tl",
"Te"
],
"chemical_system": "Sm-Te-Tl",
"density": 6.929277338212523,
"density_atomic": 0.027365877130031347,
"volume": 146.16743256551405,
"volume_molar": 22.006021335933337,
"formula_full": "Sm1 Tl1 Te2",
"formula_reduced": "SmTlTe2",
"formula_anonymous": "ABC2",
"energy": -18.48663329,
"energy_per_atom": -4.6216583225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.64263329,
"band_gap": 0.8317999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.046000Z",
"spacegroup": 166
},
{
"id": "mp-999130",
"created_at": "2022-09-04T14:39:42.760614Z",
"structure_string": "Tb2 Ni2\n1.0\n1.850675 -5.112892 0.000000\n1.850675 5.112892 0.000000\n0.000000 0.000000 4.268905\nTb Ni\n2 2\ndirect\n0.861186 0.138814 0.750000 Tb\n0.138814 0.861186 0.250000 Tb\n0.572729 0.427271 0.750000 Ni\n0.427271 0.572729 0.250000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ni"
],
"chemical_system": "Ni-Tb",
"density": 8.946066892881255,
"density_atomic": 0.049512713491759903,
"volume": 80.78733153386342,
"volume_molar": 12.162817053042806,
"formula_full": "Tb2 Ni2",
"formula_reduced": "TbNi",
"formula_anonymous": "AB",
"energy": -22.5665005,
"energy_per_atom": -5.641625125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.5665005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004588,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.035000Z",
"spacegroup": 63
},
{
"id": "mp-999129",
"created_at": "2022-09-04T14:39:43.716543Z",
"structure_string": "K1 Tb1 S2\n1.0\n7.458054 -2.036758 0.000000\n7.458054 2.036758 0.000000\n6.901826 0.000000 3.483641\nK Tb S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tb\n0.734110 0.734110 0.734110 S\n0.265890 0.265890 0.265890 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Tb",
"S"
],
"chemical_system": "K-S-Tb",
"density": 4.113170032885765,
"density_atomic": 0.037794764889082295,
"volume": 105.83476340543324,
"volume_molar": 15.933796063220397,
"formula_full": "K1 Tb1 S2",
"formula_reduced": "KTbS2",
"formula_anonymous": "ABC2",
"energy": -22.54012139,
"energy_per_atom": -5.6350303475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.53412139,
"band_gap": 2.3136,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.586000Z",
"spacegroup": 166
},
{
"id": "mp-999127",
"created_at": "2022-09-04T14:47:26.928473Z",
"structure_string": "Na1 Tb1 Se2\n1.0\n7.098049 -2.085405 0.000000\n7.098049 2.085405 0.000000\n6.485357 0.000000 3.559685\nNa Tb Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Tb\n0.756815 0.756815 0.756815 Se\n0.243185 0.243185 0.243185 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tb",
"Se"
],
"chemical_system": "Na-Se-Tb",
"density": 5.354838626575583,
"density_atomic": 0.037956750362692915,
"volume": 105.38309949556525,
"volume_molar": 15.865796472184474,
"formula_full": "Na1 Tb1 Se2",
"formula_reduced": "NaTbSe2",
"formula_anonymous": "ABC2",
"energy": -20.69648874,
"energy_per_atom": -5.174122185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.75248874,
"band_gap": 1.899,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.631000Z",
"spacegroup": 166
},
{
"id": "mp-999126",
"created_at": "2022-09-04T14:46:07.138156Z",
"structure_string": "Na1 Tb1 S2\n1.0\n6.746145 -2.005838 0.000000\n6.746145 2.005838 0.000000\n6.149747 0.000000 3.422641\nNa Tb S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tb\n0.742835 0.742835 0.742835 S\n0.257165 0.257165 0.257165 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tb",
"S"
],
"chemical_system": "Na-S-Tb",
"density": 4.410836722099135,
"density_atomic": 0.04318342862767229,
"volume": 92.6281244244874,
"volume_molar": 13.945490090476426,
"formula_full": "Na1 Tb1 S2",
"formula_reduced": "NaTbS2",
"formula_anonymous": "ABC2",
"energy": -22.59515083,
"energy_per_atom": -5.6487877075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.58915083,
"band_gap": 2.3176,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.538000Z",
"spacegroup": 166
},
{
"id": "mp-999124",
"created_at": "2022-09-04T14:41:28.036314Z",
"structure_string": "Tb2 Pd2\n1.0\n1.861000 -5.296447 0.000000\n1.861000 5.296447 0.000000\n0.000000 0.000000 4.630288\nTb Pd\n2 2\ndirect\n0.862978 0.137022 0.750000 Tb\n0.137022 0.862978 0.250000 Tb\n0.585572 0.414428 0.750000 Pd\n0.414428 0.585572 0.250000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Pd"
],
"chemical_system": "Pd-Tb",
"density": 9.654317343600272,
"density_atomic": 0.04382187817119233,
"volume": 91.27860710063139,
"volume_molar": 13.742315508418443,
"formula_full": "Tb2 Pd2",
"formula_reduced": "TbPd",
"formula_anonymous": "AB",
"energy": -23.27444166,
"energy_per_atom": -5.818610415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.27444166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001802,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.744000Z",
"spacegroup": 63
}
]
}