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&page=1716",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=1714",
"results": [
{
"id": "mp-1017184",
"created_at": "2022-09-04T14:42:12.251862Z",
"structure_string": "Mg12 Cd2 Bi2\n1.0\n5.418015 0.000000 0.000000\n0.000000 6.280296 0.000000\n0.000000 0.000000 11.195872\nMg Cd Bi\n12 2 2\ndirect\n0.000000 0.247433 0.083775 Mg\n0.000000 0.752567 0.083775 Mg\n0.000000 0.000000 0.331848 Mg\n0.500000 0.748929 0.412771 Mg\n0.500000 0.251071 0.412771 Mg\n0.500000 0.000000 0.167658 Mg\n0.000000 0.747433 0.583775 Mg\n0.000000 0.252567 0.583775 Mg\n0.000000 0.500000 0.831848 Mg\n0.500000 0.248929 0.912771 Mg\n0.500000 0.751071 0.912771 Mg\n0.500000 0.500000 0.667658 Mg\n0.000000 0.500000 0.348171 Cd\n0.000000 0.000000 0.848171 Cd\n0.500000 0.500000 0.159231 Bi\n0.500000 0.000000 0.659231 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd-Mg",
"density": 4.073085987851866,
"density_atomic": 0.041999269990465646,
"volume": 380.9590024691429,
"volume_molar": 14.338679604114787,
"formula_full": "Mg12 Cd2 Bi2",
"formula_reduced": "Mg6CdBi",
"formula_anonymous": "ABC6",
"energy": -29.47933066,
"energy_per_atom": -1.84245816625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.47933066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.614000Z",
"spacegroup": 38
},
{
"id": "mp-2562",
"created_at": "2022-09-04T14:41:49.786910Z",
"structure_string": "Mn2 S2\n1.0\n1.976236 -3.422942 0.000000\n1.976236 3.422942 0.000000\n0.000000 0.000000 6.297430\nMn S\n2 2\ndirect\n0.333333 0.666667 0.998296 Mn\n0.666667 0.333333 0.498296 Mn\n0.666667 0.333333 0.126694 S\n0.333333 0.666667 0.626694 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 3.391422169187109,
"density_atomic": 0.04694921122930186,
"volume": 85.19844945773076,
"volume_molar": 12.826926379205009,
"formula_full": "Mn2 S2",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
"energy": -29.47979751,
"energy_per_atom": -7.3699493775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.47379751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9392111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.276000Z",
"spacegroup": 186
},
{
"id": "mp-1183708",
"created_at": "2022-09-04T14:43:49.932102Z",
"structure_string": "Cr1 Sn1 Rh2\n1.0\n0.000000 3.154236 3.154236\n3.154236 0.000000 3.154236\n3.154236 3.154236 0.000000\nCr Sn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Sn",
"Rh"
],
"chemical_system": "Cr-Rh-Sn",
"density": 9.961420067222342,
"density_atomic": 0.0637305172434745,
"volume": 62.7642795478734,
"volume_molar": 9.44938315343207,
"formula_full": "Cr1 Sn1 Rh2",
"formula_reduced": "CrSnRh2",
"formula_anonymous": "ABC2",
"energy": -29.48049792,
"energy_per_atom": -7.37012448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48049792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9648135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.348000Z",
"spacegroup": 225
},
{
"id": "mp-1113057",
"created_at": "2022-09-04T14:48:14.355332Z",
"structure_string": "Cs2 K1 Al1 I6\n1.0\n0.000000 6.190844 6.190844\n6.190844 0.000000 6.190844\n6.190844 6.190844 0.000000\nCs K Al I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.775193 0.224807 0.224807 I\n0.224807 0.224807 0.775193 I\n0.224807 0.775193 0.775193 I\n0.224807 0.775193 0.224807 I\n0.775193 0.224807 0.775193 I\n0.775193 0.775193 0.224807 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Al",
"I"
],
"chemical_system": "Al-Cs-I-K",
"density": 3.825743459639343,
"density_atomic": 0.021072711557824825,
"volume": 474.5473771877615,
"volume_molar": 28.57791102713513,
"formula_full": "Cs2 K1 Al1 I6",
"formula_reduced": "Cs2KAlI6",
"formula_anonymous": "ABC2D6",
"energy": -29.482438530000003,
"energy_per_atom": -2.948243853,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.20843853,
"band_gap": 1.7447,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.238000Z",
"spacegroup": 225
},
{
"id": "mp-1186465",
"created_at": "2022-09-04T14:47:22.205345Z",
"structure_string": "Pr1 Sm1 Ir2\n1.0\n0.000000 3.542373 3.542373\n3.542373 0.000000 3.542373\n3.542373 3.542373 0.000000\nPr Sm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Sm",
"Ir"
],
"chemical_system": "Ir-Pr-Sm",
"density": 12.620925820831971,
"density_atomic": 0.04499322554019773,
"volume": 88.9022725527053,
"volume_molar": 13.384549979906899,
"formula_full": "Pr1 Sm1 Ir2",
"formula_reduced": "PrSmIr2",
"formula_anonymous": "ABC2",
"energy": -29.48400743,
"energy_per_atom": -7.3710018575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48400743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.364000Z",
"spacegroup": 225
},
{
"id": "mp-12107",
"created_at": "2022-09-04T14:43:55.226311Z",
"structure_string": "Ti1 Pt3\n1.0\n3.951971 0.000000 0.000000\n0.000000 3.951971 0.000000\n0.000000 0.000000 3.951971\nTi Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Pt"
],
"chemical_system": "Pt-Ti",
"density": 17.033080437507305,
"density_atomic": 0.06480652642332284,
"volume": 61.722178625522865,
"volume_molar": 9.292491192419051,
"formula_full": "Ti1 Pt3",
"formula_reduced": "TiPt3",
"formula_anonymous": "AB3",
"energy": -29.48517859,
"energy_per_atom": -7.3712946475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48517859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002358,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.761000Z",
"spacegroup": 221
},
{
"id": "mp-1183242",
"created_at": "2022-09-04T14:41:50.483983Z",
"structure_string": "B1 Pd1 O3\n1.0\n3.428706 0.000000 0.000000\n0.000000 3.428706 0.000000\n0.000000 0.000000 3.428706\nB Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"Pd",
"O"
],
"chemical_system": "B-O-Pd",
"density": 6.806833934712135,
"density_atomic": 0.12404499960947275,
"volume": 40.30795288597972,
"volume_molar": 4.8548033205363605,
"formula_full": "B1 Pd1 O3",
"formula_reduced": "BPdO3",
"formula_anonymous": "ABC3",
"energy": -29.48590526,
"energy_per_atom": -5.897181052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.424905260000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7470208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.401000Z",
"spacegroup": 221
},
{
"id": "mp-862709",
"created_at": "2022-09-04T14:43:49.959430Z",
"structure_string": "Ce2 Ag6\n1.0\n3.279760 -5.680710 0.000000\n3.279760 5.680710 0.000000\n0.000000 0.000000 4.898380\nCe Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.150719 0.301438 0.250000 Ag\n0.698562 0.849281 0.250000 Ag\n0.150719 0.849281 0.250000 Ag\n0.849281 0.698562 0.750000 Ag\n0.301438 0.150719 0.750000 Ag\n0.849281 0.150719 0.750000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Ag"
],
"chemical_system": "Ag-Ce",
"density": 8.43739399140082,
"density_atomic": 0.04382912838580233,
"volume": 182.52701558608814,
"volume_molar": 13.74004225452671,
"formula_full": "Ce2 Ag6",
"formula_reduced": "CeAg3",
"formula_anonymous": "AB3",
"energy": -29.48602782,
"energy_per_atom": -3.6857534775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48602782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4350777,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.292000Z",
"spacegroup": 194
},
{
"id": "mp-1026595",
"created_at": "2022-09-04T14:42:45.839529Z",
"structure_string": "Sr1 Mg14 C1\n1.0\n6.648485 0.320312 0.000000\n-3.046844 5.277288 0.000000\n0.000000 0.000000 10.240256\nSr Mg C\n1 14 1\ndirect\n0.115374 0.307686 0.125000 Sr\n0.167436 0.333718 0.625000 Mg\n0.146823 0.823411 0.625000 Mg\n0.591616 0.276572 0.125000 Mg\n0.656435 0.333010 0.625000 Mg\n0.591616 0.815043 0.125000 Mg\n0.656435 0.823424 0.625000 Mg\n0.343257 0.165355 0.379764 Mg\n0.343257 0.165355 0.870236 Mg\n0.343257 0.677903 0.379764 Mg\n0.343257 0.677903 0.870236 Mg\n0.827779 0.163890 0.391205 Mg\n0.827779 0.163890 0.858795 Mg\n0.879209 0.689605 0.323589 Mg\n0.879209 0.689605 0.926411 Mg\n0.287259 0.893629 0.125000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"C"
],
"chemical_system": "C-Mg-Sr",
"density": 1.9780815936847476,
"density_atomic": 0.04332718105172848,
"volume": 369.28319848220775,
"volume_molar": 13.899221259767959,
"formula_full": "Sr1 Mg14 C1",
"formula_reduced": "SrMg14C",
"formula_anonymous": "ABC14",
"energy": -29.48745855,
"energy_per_atom": -1.842966159375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48745855,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.909000Z",
"spacegroup": 38
},
{
"id": "mp-13467",
"created_at": "2022-09-04T14:42:01.819090Z",
"structure_string": "Ce1 Ge2 Pd2\n1.0\n-2.154379 2.154379 5.141159\n2.154379 -2.154379 5.141159\n2.154379 2.154379 -5.141159\nCe Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.619810 0.619810 0.000000 Ge\n0.380190 0.380190 0.000000 Ge\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Pd"
],
"chemical_system": "Ce-Ge-Pd",
"density": 8.668001159337495,
"density_atomic": 0.0523847364576353,
"volume": 95.44765017656644,
"volume_molar": 11.495983691490439,
"formula_full": "Ce1 Ge2 Pd2",
"formula_reduced": "Ce(GePd)2",
"formula_anonymous": "AB2C2",
"energy": -29.487747129999995,
"energy_per_atom": -5.897549425999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.487747129999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.679859,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.326000Z",
"spacegroup": 139
},
{
"id": "mp-1206307",
"created_at": "2022-09-04T14:44:20.147062Z",
"structure_string": "Yb1 In1 Ni4\n1.0\n0.000000 3.484691 3.484691\n3.484691 0.000000 3.484691\n3.484691 3.484691 0.000000\nYb In Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 In\n0.625410 0.625410 0.625410 Ni\n0.625410 0.625410 0.123769 Ni\n0.625410 0.123769 0.625410 Ni\n0.123769 0.625410 0.625410 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"In",
"Ni"
],
"chemical_system": "In-Ni-Yb",
"density": 10.254676059147412,
"density_atomic": 0.07089709389680499,
"volume": 84.62970299929871,
"volume_molar": 8.49419973231285,
"formula_full": "Yb1 In1 Ni4",
"formula_reduced": "YbInNi4",
"formula_anonymous": "ABC4",
"energy": -29.48814182,
"energy_per_atom": -4.914690303333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.48814182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0411987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.420000Z",
"spacegroup": 216
},
{
"id": "mp-5436",
"created_at": "2022-09-04T14:45:22.377966Z",
"structure_string": "Fe1 Co2 Si1\n1.0\n0.000000 2.812128 2.812128\n2.812128 0.000000 2.812128\n2.812128 2.812128 0.000000\nFe Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Si",
"density": 7.53404685328475,
"density_atomic": 0.08993417224337823,
"volume": 44.476975772627036,
"volume_molar": 6.696165217046744,
"formula_full": "Fe1 Co2 Si1",
"formula_reduced": "FeCo2Si",
"formula_anonymous": "ABC2",
"energy": -29.49045631,
"energy_per_atom": -7.3726140775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.56145631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4594807,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.672000Z",
"spacegroup": 225
}
]
}