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=1727",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=1725",
"results": [
{
"id": "mp-972961",
"created_at": "2022-09-04T14:41:06.597132Z",
"structure_string": "Sc2 Ni1 Rh1\n1.0\n0.000000 3.211440 3.211440\n3.211440 0.000000 3.211440\n3.211440 3.211440 0.000000\nSc Ni Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"Rh"
],
"chemical_system": "Ni-Rh-Sc",
"density": 6.3048705176420725,
"density_atomic": 0.060385206865272024,
"volume": 66.24138936750798,
"volume_molar": 9.97287427272751,
"formula_full": "Sc2 Ni1 Rh1",
"formula_reduced": "Sc2NiRh",
"formula_anonymous": "ABC2",
"energy": -28.80466497,
"energy_per_atom": -7.2011662425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.80466497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.125000Z",
"spacegroup": 225
},
{
"id": "mp-4291",
"created_at": "2022-09-04T14:41:20.096878Z",
"structure_string": "Ho1 Ni2 Ge2\n1.0\n-2.026886 2.026886 4.895865\n2.026886 -2.026886 4.895865\n2.026886 2.026886 -4.895865\nHo Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.627997 0.627997 0.000000 Ge\n0.372003 0.372003 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ho-Ni",
"density": 8.825428436905984,
"density_atomic": 0.06214725245661315,
"volume": 80.4540796633069,
"volume_molar": 9.69011584897375,
"formula_full": "Ho1 Ni2 Ge2",
"formula_reduced": "Ho(NiGe)2",
"formula_anonymous": "AB2C2",
"energy": -28.8047026,
"energy_per_atom": -5.76094052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.8047026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006716,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.913000Z",
"spacegroup": 139
},
{
"id": "mp-1219202",
"created_at": "2022-09-04T14:48:00.897825Z",
"structure_string": "Sm2 Ga3 Co1\n1.0\n3.836774 0.000000 0.000000\n0.000000 4.297108 0.000000\n0.000000 0.000000 7.585398\nSm Ga Co\n2 3 1\ndirect\n0.000000 0.500000 0.022054 Sm\n0.000000 0.000000 0.486380 Sm\n0.500000 0.000000 0.835156 Ga\n0.500000 0.000000 0.175087 Ga\n0.500000 0.500000 0.653846 Ga\n0.500000 0.500000 0.327476 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Sm",
"density": 7.552744113699581,
"density_atomic": 0.047976701956236274,
"volume": 125.06070145199064,
"volume_molar": 12.552219128137066,
"formula_full": "Sm2 Ga3 Co1",
"formula_reduced": "Sm2Ga3Co",
"formula_anonymous": "AB2C3",
"energy": -28.805174900000004,
"energy_per_atom": -4.800862483333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.805174900000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.357000Z",
"spacegroup": 25
},
{
"id": "mp-1026768",
"created_at": "2022-09-04T14:40:21.599315Z",
"structure_string": "Li1 Mg14 Bi1\n1.0\n6.422968 0.058151 0.000000\n-3.161124 5.475226 0.000000\n0.000000 0.000000 10.496030\nLi Mg Bi\n1 14 1\ndirect\n0.166144 0.333071 0.125000 Li\n0.167226 0.333613 0.625000 Mg\n0.166357 0.833178 0.625000 Mg\n0.667844 0.332517 0.125000 Mg\n0.666157 0.333930 0.625000 Mg\n0.667844 0.835326 0.125000 Mg\n0.666157 0.832226 0.625000 Mg\n0.335463 0.171454 0.378627 Mg\n0.335463 0.171454 0.871373 Mg\n0.335463 0.664011 0.378627 Mg\n0.335463 0.664011 0.871373 Mg\n0.833357 0.166679 0.376567 Mg\n0.833357 0.166679 0.873433 Mg\n0.827951 0.663976 0.378612 Mg\n0.827951 0.663976 0.871388 Mg\n0.167804 0.833901 0.125000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Bi"
],
"chemical_system": "Bi-Li-Mg",
"density": 2.489122704386363,
"density_atomic": 0.04312140691109347,
"volume": 371.04540751623335,
"volume_molar": 13.965547952589496,
"formula_full": "Li1 Mg14 Bi1",
"formula_reduced": "LiMg14Bi",
"formula_anonymous": "ABC14",
"energy": -28.80807202,
"energy_per_atom": -1.80050450125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.80807202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.335000Z",
"spacegroup": 38
},
{
"id": "mp-1028128",
"created_at": "2022-09-04T14:47:17.886380Z",
"structure_string": "Ca1 Mg14 Sb1\n1.0\n6.481629 0.000000 0.000000\n-3.240814 5.613254 -0.000000\n-0.000000 0.000000 10.502913\nCa Mg Sb\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.172570 0.836284 0.125000 Mg\n0.161497 0.830748 0.625000 Mg\n0.663716 0.327430 0.125000 Mg\n0.669252 0.338503 0.625000 Mg\n0.663716 0.836284 0.125000 Mg\n0.669252 0.830748 0.625000 Mg\n0.335524 0.164476 0.378861 Mg\n0.335524 0.164476 0.871139 Mg\n0.335524 0.671048 0.378861 Mg\n0.335524 0.671048 0.871139 Mg\n0.828952 0.164476 0.378861 Mg\n0.828952 0.164476 0.871139 Mg\n0.833333 0.666667 0.369641 Mg\n0.833333 0.666667 0.880359 Mg\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Sb"
],
"chemical_system": "Ca-Mg-Sb",
"density": 2.181913889512749,
"density_atomic": 0.041870808904492886,
"volume": 382.1277978291731,
"volume_molar": 14.382671167725642,
"formula_full": "Ca1 Mg14 Sb1",
"formula_reduced": "CaMg14Sb",
"formula_anonymous": "ABC14",
"energy": -29.00524757,
"energy_per_atom": -1.812827973125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.81324757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.250000Z",
"spacegroup": 187
},
{
"id": "mp-1186586",
"created_at": "2022-09-04T14:42:25.980542Z",
"structure_string": "Pm1 Ho1 Ru2\n1.0\n0.000000 3.439140 3.439140\n3.439140 0.000000 3.439140\n3.439140 3.439140 0.000000\nPm Ho Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ho",
"Ru"
],
"chemical_system": "Ho-Pm-Ru",
"density": 10.451993721673194,
"density_atomic": 0.049167760737473816,
"volume": 81.35412188807189,
"volume_molar": 12.248149335404147,
"formula_full": "Pm1 Ho1 Ru2",
"formula_reduced": "PmHoRu2",
"formula_anonymous": "ABC2",
"energy": -28.81431054,
"energy_per_atom": -7.203577635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.81431054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.595000Z",
"spacegroup": 225
},
{
"id": "mp-4583",
"created_at": "2022-09-04T14:47:40.807324Z",
"structure_string": "Nb1 Co2 Sn1\n1.0\n0.000000 3.089490 3.089490\n3.089490 0.000000 3.089490\n3.089490 3.089490 0.000000\nNb Co Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Sn"
],
"chemical_system": "Co-Nb-Sn",
"density": 9.27665549878322,
"density_atomic": 0.06782184721223078,
"volume": 58.9780456359887,
"volume_molar": 8.879352314240691,
"formula_full": "Nb1 Co2 Sn1",
"formula_reduced": "NbCo2Sn",
"formula_anonymous": "ABC2",
"energy": -28.816548,
"energy_per_atom": -7.204137,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.816548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.929951,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.075000Z",
"spacegroup": 225
},
{
"id": "mp-1075933",
"created_at": "2022-09-04T14:45:28.493738Z",
"structure_string": "Sm1 Ag1 O3\n1.0\n4.068937 0.000000 0.000000\n0.000000 4.068937 0.000000\n0.000000 0.000000 4.068937\nSm Ag O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Ag",
"O"
],
"chemical_system": "Ag-O-Sm",
"density": 7.548294383676719,
"density_atomic": 0.0742210522870131,
"volume": 67.36633132962034,
"volume_molar": 8.113790595035432,
"formula_full": "Sm1 Ag1 O3",
"formula_reduced": "SmAgO3",
"formula_anonymous": "ABC3",
"energy": -30.87856836,
"energy_per_atom": -6.175713672,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.817568360000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.068000Z",
"spacegroup": 221
},
{
"id": "mp-1113412",
"created_at": "2022-09-04T14:45:56.583327Z",
"structure_string": "Cs1 Rb2 Au1 Cl6\n1.0\n0.000000 5.693625 5.693625\n5.693625 0.000000 5.693625\n5.693625 5.693625 0.000000\nCs Rb Au Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.778838 0.221162 0.221162 Cl\n0.221162 0.221162 0.778838 Cl\n0.221162 0.778838 0.778838 Cl\n0.221162 0.778838 0.221162 Cl\n0.778838 0.221162 0.778838 Cl\n0.778838 0.778838 0.221162 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-Rb",
"density": 3.209682650155462,
"density_atomic": 0.02708965194054992,
"volume": 369.144646891207,
"volume_molar": 22.230410243793447,
"formula_full": "Cs1 Rb2 Au1 Cl6",
"formula_reduced": "CsRb2AuCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.50158886,
"energy_per_atom": -3.250158886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.81758886,
"band_gap": 0.1722,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9966692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.016000Z",
"spacegroup": 225
},
{
"id": "mp-726702",
"created_at": "2022-09-04T14:47:19.879477Z",
"structure_string": "Ca2 Cl2 O2\n1.0\n1.996833 -3.458616 0.000000\n1.996833 3.458616 0.000000\n0.000000 0.000000 9.320634\nCa Cl O\n2 2 2\ndirect\n0.333333 0.666667 0.810918 Ca\n0.666667 0.333333 0.310918 Ca\n0.333333 0.666667 0.504583 Cl\n0.666667 0.333333 0.004583 Cl\n0.000000 0.000000 0.267499 O\n0.000000 0.000000 0.767499 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-O",
"density": 2.3611572509566403,
"density_atomic": 0.04660491375543883,
"volume": 128.74178957792398,
"volume_molar": 12.921686308875985,
"formula_full": "Ca2 Cl2 O2",
"formula_reduced": "CaClO",
"formula_anonymous": "ABC",
"energy": -31.42132372,
"energy_per_atom": -5.236887286666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.81932372,
"band_gap": 0.6506,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0006976,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.614000Z",
"spacegroup": 186
},
{
"id": "mp-1080191",
"created_at": "2022-09-04T14:45:17.207201Z",
"structure_string": "Pd3 N2\n1.0\n2.953219 0.000000 0.000000\n0.000000 2.953219 0.000000\n0.000000 0.000000 7.369770\nPd N\n3 2\ndirect\n0.500000 0.500000 0.315996 Pd\n0.500000 0.500000 0.684004 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.726092 N\n0.000000 0.000000 0.273908 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 8.971713044183142,
"density_atomic": 0.07779017746402435,
"volume": 64.27546719908631,
"volume_molar": 7.741518217753214,
"formula_full": "Pd3 N2",
"formula_reduced": "Pd3N2",
"formula_anonymous": "A2B3",
"energy": -29.541709410000003,
"energy_per_atom": -5.908341882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.81970941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.084000Z",
"spacegroup": 123
},
{
"id": "mp-1186655",
"created_at": "2022-09-04T14:41:47.931051Z",
"structure_string": "Pm1 Tm1 Ru2\n1.0\n0.000000 3.422060 3.422060\n3.422060 0.000000 3.422060\n3.422060 3.422060 0.000000\nPm Tm Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Tm",
"Ru"
],
"chemical_system": "Pm-Ru-Tm",
"density": 10.692232616980462,
"density_atomic": 0.04990765175448032,
"volume": 80.14803060015564,
"volume_molar": 12.066568047773114,
"formula_full": "Pm1 Tm1 Ru2",
"formula_reduced": "PmTmRu2",
"formula_anonymous": "ABC2",
"energy": -28.82023541,
"energy_per_atom": -7.2050588525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.82023541,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.050000Z",
"spacegroup": 225
}
]
}