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=10368",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10366",
"results": [
{
"id": "mp-1221904",
"created_at": "2022-09-04T14:45:06.915676Z",
"structure_string": "Mn2 Al2 Cu1\n1.0\n-1.368592 1.368592 8.518936\n1.368592 -1.368592 8.518936\n1.368592 1.368592 -8.518936\nMn Al Cu\n2 2 1\ndirect\n0.813349 0.813349 0.000000 Mn\n0.387910 0.387910 0.000000 Mn\n0.590402 0.590402 0.000000 Al\n0.217548 0.217548 0.000000 Al\n0.990791 0.990791 0.000000 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 5.9158600014267355,
"density_atomic": 0.07833875466912434,
"volume": 63.825369973243276,
"volume_molar": 7.687307240758969,
"formula_full": "Mn2 Al2 Cu1",
"formula_reduced": "Mn2Al2Cu",
"formula_anonymous": "AB2C2",
"energy": -30.01200211,
"energy_per_atom": -6.002400422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01200211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1551295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.544000Z",
"spacegroup": 107
},
{
"id": "mp-1216782",
"created_at": "2022-09-04T14:43:08.497573Z",
"structure_string": "V2 Ga1 Fe1\n1.0\n-1.572935 -1.467763 1.467763\n-1.572935 1.467763 -1.467763\n0.000000 -5.696481 -5.696481\nV Ga Fe\n2 1 1\ndirect\n0.000000 0.000000 0.505282 V\n0.500000 0.500000 0.758256 V\n0.500000 0.500000 0.239867 Ga\n0.000000 0.000000 0.996595 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-V",
"density": 7.179655262517211,
"density_atomic": 0.07603729086984914,
"volume": 52.60576691043195,
"volume_molar": 7.919983328059288,
"formula_full": "V2 Ga1 Fe1",
"formula_reduced": "V2GaFe",
"formula_anonymous": "ABC2",
"energy": -30.01030082,
"energy_per_atom": -7.502575205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01030082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6798082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.888000Z",
"spacegroup": 35
},
{
"id": "mp-1187747",
"created_at": "2022-09-04T14:44:12.595098Z",
"structure_string": "U1 F3\n1.0\n0.000000 2.909901 2.909901\n2.909901 0.000000 2.909901\n2.909901 2.909901 0.000000\nU F\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"F"
],
"chemical_system": "F-U",
"density": 9.941272617500555,
"density_atomic": 0.08116996418866493,
"volume": 49.27931211972353,
"volume_molar": 7.419173853523727,
"formula_full": "U1 F3",
"formula_reduced": "UF3",
"formula_anonymous": "AB3",
"energy": -31.39614428,
"energy_per_atom": -7.84903607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01014428,
"band_gap": 0.2545999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.000159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.314000Z",
"spacegroup": 225
},
{
"id": "mp-1008530",
"created_at": "2022-09-04T14:47:17.752101Z",
"structure_string": "Al1 V1 Fe1 Co1\n1.0\n0.000000 2.865330 2.865330\n2.865330 0.000000 2.865330\n2.865330 2.865330 0.000000\nAl V Fe Co\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Al",
"V",
"Fe",
"Co"
],
"chemical_system": "Al-Co-Fe-V",
"density": 6.801107759541363,
"density_atomic": 0.08501705464129475,
"volume": 47.04938340756288,
"volume_molar": 7.083450238788803,
"formula_full": "Al1 V1 Fe1 Co1",
"formula_reduced": "AlVFeCo",
"formula_anonymous": "ABCD",
"energy": -30.00977609,
"energy_per_atom": -7.5024440225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00977609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9839994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.683000Z",
"spacegroup": 216
},
{
"id": "mp-1216056",
"created_at": "2022-09-04T14:47:18.122083Z",
"structure_string": "Y2 P1 S1\n1.0\n6.589445 -1.985741 0.000000\n6.589445 1.985741 0.000000\n5.991039 0.000000 3.386947\nY P S\n2 1 1\ndirect\n0.246995 0.246995 0.246995 Y\n0.753005 0.753005 0.753005 Y\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"P",
"S"
],
"chemical_system": "P-S-Y",
"density": 4.512183410944671,
"density_atomic": 0.045128422705763616,
"volume": 88.63593629407164,
"volume_molar": 13.344452118932304,
"formula_full": "Y2 P1 S1",
"formula_reduced": "Y2PS",
"formula_anonymous": "ABC2",
"energy": -30.51258265,
"energy_per_atom": -7.6281456625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00958265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.872000Z",
"spacegroup": 166
},
{
"id": "mp-1029784",
"created_at": "2022-09-04T14:46:19.036626Z",
"structure_string": "Rb2 C1 N2\n1.0\n3.041290 3.076475 0.000000\n-3.041290 3.076475 0.000000\n0.000000 2.027082 5.758189\nRb C N\n2 1 2\ndirect\n0.177803 0.177803 0.711040 Rb\n0.822197 0.822197 0.288960 Rb\n0.500000 0.500000 0.000000 C\n0.650386 0.650386 0.803616 N\n0.349614 0.349614 0.196384 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"C",
"N"
],
"chemical_system": "C-N-Rb",
"density": 3.251033623795296,
"density_atomic": 0.046402659144741766,
"volume": 107.75244548817172,
"volume_molar": 12.97800787927994,
"formula_full": "Rb2 C1 N2",
"formula_reduced": "Rb2CN2",
"formula_anonymous": "AB2C2",
"energy": -30.73080328,
"energy_per_atom": -6.146160656,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00880328,
"band_gap": 2.8228,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.345000Z",
"spacegroup": 12
},
{
"id": "mp-1205779",
"created_at": "2022-09-04T14:39:27.233457Z",
"structure_string": "Er3 Mg3 In3\n1.0\n3.769812 -6.529507 0.000000\n3.769812 6.529507 0.000000\n0.000000 0.000000 4.612717\nEr Mg In\n3 3 3\ndirect\n0.575623 0.000000 0.000000 Er\n0.000000 0.575623 0.000000 Er\n0.424377 0.424377 0.000000 Er\n0.245508 0.000000 0.500000 Mg\n0.000000 0.245508 0.500000 Mg\n0.754492 0.754492 0.500000 Mg\n0.333333 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Mg",
"In"
],
"chemical_system": "Er-In-Mg",
"density": 6.721198293827235,
"density_atomic": 0.0396328787741647,
"volume": 227.08418561476762,
"volume_molar": 15.194810334912196,
"formula_full": "Er3 Mg3 In3",
"formula_reduced": "ErMgIn",
"formula_anonymous": "ABC",
"energy": -30.00775231,
"energy_per_atom": -3.334194701111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00775231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.591000Z",
"spacegroup": 189
},
{
"id": "mp-5982",
"created_at": "2022-09-04T14:41:55.951190Z",
"structure_string": "La1 Ni2 As2\n1.0\n-2.074364 2.074364 5.054984\n2.074364 -2.074364 5.054984\n2.074364 2.074364 -5.054984\nLa Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.634114 0.634114 0.000000 As\n0.365886 0.365886 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Ni",
"As"
],
"chemical_system": "As-La-Ni",
"density": 7.75122435911369,
"density_atomic": 0.057467233986057256,
"volume": 87.00610161980484,
"volume_molar": 10.479259818666575,
"formula_full": "La1 Ni2 As2",
"formula_reduced": "La(NiAs)2",
"formula_anonymous": "AB2C2",
"energy": -30.00598565,
"energy_per_atom": -6.0011971299999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00598565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003861,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.586000Z",
"spacegroup": 139
},
{
"id": "mp-865804",
"created_at": "2022-09-04T14:45:55.655406Z",
"structure_string": "Ta1 Zn1 Rh2\n1.0\n0.000000 3.110348 3.110348\n3.110348 0.000000 3.110348\n3.110348 3.110348 0.000000\nTa Zn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"Rh"
],
"chemical_system": "Rh-Ta-Zn",
"density": 12.476473909289775,
"density_atomic": 0.06646653636359627,
"volume": 60.180659604684934,
"volume_molar": 9.060410079226465,
"formula_full": "Ta1 Zn1 Rh2",
"formula_reduced": "TaZnRh2",
"formula_anonymous": "ABC2",
"energy": -30.00339761,
"energy_per_atom": -7.5008494025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00339761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024565,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.860000Z",
"spacegroup": 225
},
{
"id": "mp-1224180",
"created_at": "2022-09-04T14:42:12.648870Z",
"structure_string": "In1 Ga1 Cu2 Te2 Se2\n1.0\n6.009547 -0.016513 0.000062\n-0.016585 6.003738 0.000841\n2.996532 2.994435 5.999569\nIn Ga Cu Te Se\n1 1 2 2 2\ndirect\n0.508947 0.508976 0.982260 In\n0.241664 0.741677 0.516688 Ga\n0.741952 0.241923 0.516215 Cu\n0.009447 0.009431 0.980994 Cu\n0.095327 0.107059 0.261207 Te\n0.643336 0.631686 0.261322 Te\n0.365459 0.896363 0.740635 Se\n0.893869 0.362885 0.740679 Se\n",
"nsites": 8,
"nelements": 5,
"elements": [
"In",
"Ga",
"Cu",
"Te",
"Se"
],
"chemical_system": "Cu-Ga-In-Se-Te",
"density": 5.560215041427205,
"density_atomic": 0.036960893045675264,
"volume": 216.44498660012943,
"volume_molar": 16.293277201278666,
"formula_full": "In1 Ga1 Cu2 Te2 Se2",
"formula_reduced": "InGaCu2(TeSe)2",
"formula_anonymous": "ABC2D2E2",
"energy": -31.79036678,
"energy_per_atom": -3.9737958475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00236678,
"band_gap": 0.0451999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.279000Z",
"spacegroup": 5
},
{
"id": "mp-321",
"created_at": "2022-09-04T14:47:20.996496Z",
"structure_string": "Rh2 Pb4\n1.0\n-3.406370 3.406370 2.974163\n3.406370 -3.406370 2.974163\n3.406370 3.406370 -2.974163\nRh Pb\n2 4\ndirect\n0.750000 0.750000 0.000000 Rh\n0.250000 0.250000 0.000000 Rh\n0.667249 0.167249 0.834498 Pb\n0.332751 0.832751 0.165502 Pb\n0.832751 0.667249 0.500000 Pb\n0.167249 0.332751 0.500000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rh",
"Pb"
],
"chemical_system": "Pb-Rh",
"density": 12.445655994001731,
"density_atomic": 0.043465317267446665,
"volume": 138.04109522729053,
"volume_molar": 13.855048435388463,
"formula_full": "Rh2 Pb4",
"formula_reduced": "RhPb2",
"formula_anonymous": "AB2",
"energy": -30.0014006,
"energy_per_atom": -5.000233433333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.0014006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003478,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.711000Z",
"spacegroup": 140
},
{
"id": "mp-1071492",
"created_at": "2022-09-04T14:42:16.809303Z",
"structure_string": "Er2 Sn2 Ge2\n1.0\n2.130725 -8.005738 0.000000\n2.130725 8.005738 0.000000\n0.000000 0.000000 4.113811\nEr Sn Ge\n2 2 2\ndirect\n0.906860 0.093140 0.750000 Er\n0.093140 0.906860 0.250000 Er\n0.253133 0.746867 0.750000 Sn\n0.746867 0.253133 0.250000 Sn\n0.556101 0.443899 0.750000 Ge\n0.443899 0.556101 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Sn",
"Ge"
],
"chemical_system": "Er-Ge-Sn",
"density": 8.485885599205353,
"density_atomic": 0.042751183798509035,
"volume": 140.34699081734556,
"volume_molar": 14.086488899074707,
"formula_full": "Er2 Sn2 Ge2",
"formula_reduced": "ErSnGe",
"formula_anonymous": "ABC",
"energy": -29.999641860000004,
"energy_per_atom": -4.99994031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.999641860000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001844,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.347000Z",
"spacegroup": 63
}
]
}