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=43",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=41",
"results": [
{
"id": "mp-463",
"created_at": "2022-09-04T14:45:12.969509Z",
"structure_string": "K1 F1\n1.0\n0.000000 2.711992 2.711992\n2.711992 0.000000 2.711992\n2.711992 2.711992 0.000000\nK F\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"F"
],
"chemical_system": "F-K",
"density": 2.4182732829403464,
"density_atomic": 0.05013428063521097,
"volume": 39.892863219729406,
"volume_molar": 12.012021881431865,
"formula_full": "K1 F1",
"formula_reduced": "KF",
"formula_anonymous": "AB",
"energy": -8.89371896,
"energy_per_atom": -4.44685948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.43171896,
"band_gap": 5.949400000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.579000Z",
"spacegroup": 225
},
{
"id": "mp-1180961",
"created_at": "2022-09-04T14:46:53.432617Z",
"structure_string": "K2\n1.0\n-2.213986 2.213986 7.907082\n2.213986 -2.213986 7.907082\n2.213986 2.213986 -7.907082\nK\n2\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8375504824566326,
"density_atomic": 0.012900425084217978,
"volume": 155.03365097997775,
"volume_molar": 46.6817234369069,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.07759152,
"energy_per_atom": -1.03879576,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.07759152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.111000Z",
"spacegroup": 141
},
{
"id": "mp-2316",
"created_at": "2022-09-04T14:46:55.866557Z",
"structure_string": "Tm1 Zn1\n1.0\n3.524332 0.000000 0.000000\n0.000000 3.524332 0.000000\n0.000000 0.000000 3.524332\nTm Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Zn"
],
"chemical_system": "Tm-Zn",
"density": 8.889371009889864,
"density_atomic": 0.04568772742160525,
"volume": 43.775431891020716,
"volume_molar": 13.181090633875987,
"formula_full": "Tm1 Zn1",
"formula_reduced": "TmZn",
"formula_anonymous": "AB",
"energy": -6.45081767,
"energy_per_atom": -3.225408835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.45081767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028293,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.426000Z",
"spacegroup": 221
},
{
"id": "mp-2806",
"created_at": "2022-09-04T14:46:58.834411Z",
"structure_string": "Yb1 Sn1\n1.0\n3.475707 0.000000 0.000000\n0.000000 3.475707 0.000000\n0.000000 0.000000 4.511120\nYb Sn\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 8.889744215044427,
"density_atomic": 0.03669942827893327,
"volume": 54.49676176966682,
"volume_molar": 16.409358517056013,
"formula_full": "Yb1 Sn1",
"formula_reduced": "YbSn",
"formula_anonymous": "AB",
"energy": -6.8670468,
"energy_per_atom": -3.4335234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.8670468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.93e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.193000Z",
"spacegroup": 123
},
{
"id": "mp-2692",
"created_at": "2022-09-04T14:46:54.114338Z",
"structure_string": "Nb1 O1\n1.0\n0.000000 2.255541 2.255541\n2.255541 0.000000 2.255541\n2.255541 2.255541 0.000000\nNb O\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"O"
],
"chemical_system": "Nb-O",
"density": 7.879848251723329,
"density_atomic": 0.08714607315739667,
"volume": 22.94997270144061,
"volume_molar": 6.910398302311641,
"formula_full": "Nb1 O1",
"formula_reduced": "NbO",
"formula_anonymous": "AB",
"energy": -18.04706709,
"energy_per_atom": -9.023533545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.36006709,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005022,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.594000Z",
"spacegroup": 225
},
{
"id": "mp-11274",
"created_at": "2022-09-04T14:46:54.641381Z",
"structure_string": "Be1 Pd1\n1.0\n2.832204 0.000000 0.000000\n0.000000 2.832204 0.000000\n0.000000 0.000000 2.832204\nBe Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"Pd"
],
"chemical_system": "Be-Pd",
"density": 8.437278937378421,
"density_atomic": 0.08803520912363087,
"volume": 22.718183098666024,
"volume_molar": 6.840604821580988,
"formula_full": "Be1 Pd1",
"formula_reduced": "BePd",
"formula_anonymous": "AB",
"energy": -10.10471632,
"energy_per_atom": -5.05235816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.10471632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.258000Z",
"spacegroup": 221
},
{
"id": "mp-2195",
"created_at": "2022-09-04T14:46:56.714812Z",
"structure_string": "Lu1 Mg1\n1.0\n3.727945 0.000000 0.000000\n0.000000 3.727945 0.000000\n0.000000 0.000000 3.727945\nLu Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Mg"
],
"chemical_system": "Lu-Mg",
"density": 6.386852520311816,
"density_atomic": 0.03860303996945918,
"volume": 51.80939121847143,
"volume_molar": 15.600172330377143,
"formula_full": "Lu1 Mg1",
"formula_reduced": "LuMg",
"formula_anonymous": "AB",
"energy": -6.2133547,
"energy_per_atom": -3.10667735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.2133547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0127457,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.872000Z",
"spacegroup": 221
},
{
"id": "mp-1217895",
"created_at": "2022-09-04T14:46:56.689466Z",
"structure_string": "Ta1 Mo1\n1.0\n1.624791 -2.336975 0.000000\n1.624791 2.336975 0.000000\n0.000000 0.000000 4.477023\nTa Mo\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Mo"
],
"chemical_system": "Mo-Ta",
"density": 13.523283453942348,
"density_atomic": 0.05882461632135247,
"volume": 33.99937177786622,
"volume_molar": 10.237450129894093,
"formula_full": "Ta1 Mo1",
"formula_reduced": "TaMo",
"formula_anonymous": "AB",
"energy": -22.91777279,
"energy_per_atom": -11.458886395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.91777279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.147000Z",
"spacegroup": 65
},
{
"id": "mp-92",
"created_at": "2022-09-04T14:40:24.161915Z",
"structure_string": "Si2\n1.0\n-2.405543 2.405543 1.324897\n2.405543 -2.405543 1.324897\n2.405543 2.405543 -1.324897\nSi\n2\ndirect\n0.250000 0.750000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.0415355437459226,
"density_atomic": 0.0652171233458934,
"volume": 30.666792667204266,
"volume_molar": 9.233987104981997,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -10.26190468,
"energy_per_atom": -5.13095234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.26190468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.301000Z",
"spacegroup": 141
},
{
"id": "mp-2796",
"created_at": "2022-09-04T14:46:57.722326Z",
"structure_string": "Tm1 Ag1\n1.0\n3.596145 0.000000 0.000000\n0.000000 3.596145 0.000000\n0.000000 0.000000 3.596145\nTm Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Ag"
],
"chemical_system": "Ag-Tm",
"density": 9.883422946061037,
"density_atomic": 0.04300494651933275,
"volume": 46.506278041780746,
"volume_molar": 14.00336762956504,
"formula_full": "Tm1 Ag1",
"formula_reduced": "TmAg",
"formula_anonymous": "AB",
"energy": -8.01138121,
"energy_per_atom": -4.005690605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.01138121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001429,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.925000Z",
"spacegroup": 221
},
{
"id": "mp-1215200",
"created_at": "2022-09-04T14:44:28.089171Z",
"structure_string": "Zr1 Ti1\n1.0\n1.554497 -2.692468 0.000000\n1.554497 2.692468 0.000000\n0.000000 0.000000 4.920467\nZr Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Ti"
],
"chemical_system": "Ti-Zr",
"density": 5.607526945970661,
"density_atomic": 0.04855715552522907,
"volume": 41.18857413220695,
"volume_molar": 12.402169556392256,
"formula_full": "Zr1 Ti1",
"formula_reduced": "ZrTi",
"formula_anonymous": "AB",
"energy": -16.2839205,
"energy_per_atom": -8.14196025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.2839205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.809000Z",
"spacegroup": 187
},
{
"id": "mp-20411",
"created_at": "2022-09-04T14:46:59.446984Z",
"structure_string": "In1 N1\n1.0\n0.000000 2.527026 2.527026\n2.527026 0.000000 2.527026\n2.527026 2.527026 0.000000\nIn N\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"N"
],
"chemical_system": "In-N",
"density": 6.628100893608626,
"density_atomic": 0.061968483631767546,
"volume": 32.27447054997356,
"volume_molar": 9.718070230320768,
"formula_full": "In1 N1",
"formula_reduced": "InN",
"formula_anonymous": "AB",
"energy": -11.22628425,
"energy_per_atom": -5.613142125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.86528425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.625000Z",
"spacegroup": 216
}
]
}