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_per_atom&page=34",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=32",
"results": [
{
"id": "mp-1226162",
"created_at": "2022-09-04T14:45:16.755423Z",
"structure_string": "Cr1 W1\n1.0\n-1.528967 -1.549430 1.549430\n-1.528967 1.549430 -1.549430\n0.000000 -2.982644 -2.982644\nCr W\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"W"
],
"chemical_system": "Cr-W",
"density": 13.855681690427156,
"density_atomic": 0.0707617413062228,
"volume": 28.263860711750457,
"volume_molar": 8.510447381359752,
"formula_full": "Cr1 W1",
"formula_reduced": "CrW",
"formula_anonymous": "AB",
"energy": -22.36878776,
"energy_per_atom": -11.18439388,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.36878776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.886000Z",
"spacegroup": 65
},
{
"id": "mp-1025192",
"created_at": "2022-09-04T14:42:57.389191Z",
"structure_string": "Ta4 C3\n1.0\n4.445281 0.000000 0.000000\n0.000000 4.445281 0.000000\n0.000000 0.000000 4.445281\nTa C\n4 3\ndirect\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.363630669043559,
"density_atomic": 0.07968936793576914,
"volume": 87.84107819304211,
"volume_molar": 7.557019105552372,
"formula_full": "Ta4 C3",
"formula_reduced": "Ta4C3",
"formula_anonymous": "A3B4",
"energy": -78.27374801,
"energy_per_atom": -11.181964001428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.27374801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.822000Z",
"spacegroup": 221
},
{
"id": "mp-1207135",
"created_at": "2022-09-04T14:42:06.033860Z",
"structure_string": "Gd3 Tl1 C1\n1.0\n4.990800 0.000000 0.000000\n0.000000 4.990800 0.000000\n0.000000 0.000000 4.990800\nGd Tl C\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Tl",
"C"
],
"chemical_system": "C-Gd-Tl",
"density": 9.192167421997118,
"density_atomic": 0.04022161504269673,
"volume": 124.31126882131201,
"volume_molar": 14.972399177922805,
"formula_full": "Gd3 Tl1 C1",
"formula_reduced": "Gd3TlC",
"formula_anonymous": "ABC3",
"energy": -55.90936423000001,
"energy_per_atom": -11.181872846000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.90936423000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.3240889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.997000Z",
"spacegroup": 221
},
{
"id": "mp-865960",
"created_at": "2022-09-04T14:48:11.041407Z",
"structure_string": "Co2 Re6\n1.0\n2.711863 -4.697085 0.000000\n2.711863 4.697085 0.000000\n0.000000 0.000000 4.358945\nCo Re\n2 6\ndirect\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.166357 0.332715 0.250000 Re\n0.667285 0.833643 0.250000 Re\n0.166357 0.833643 0.250000 Re\n0.833643 0.667285 0.750000 Re\n0.332715 0.166357 0.750000 Re\n0.833643 0.166357 0.750000 Re\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Re"
],
"chemical_system": "Co-Re",
"density": 18.4691377014417,
"density_atomic": 0.07204144860020995,
"volume": 111.04718402312479,
"volume_molar": 8.359272164861007,
"formula_full": "Co2 Re6",
"formula_reduced": "CoRe3",
"formula_anonymous": "AB3",
"energy": -89.42236056,
"energy_per_atom": -11.17779507,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.42236056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0321156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:34.930000Z",
"spacegroup": 194
},
{
"id": "mp-1216967",
"created_at": "2022-09-04T14:39:37.301690Z",
"structure_string": "W14 N12\n1.0\n-1.443294 -2.499828 0.000036\n-1.443294 2.499828 -0.000036\n0.000000 0.000685 -42.992859\nW N\n14 12\ndirect\n0.666647 0.333353 0.240712 W\n0.666662 0.333338 0.571581 W\n0.666676 0.333324 0.903526 W\n0.333366 0.666634 0.090960 W\n0.333311 0.666689 0.427000 W\n0.333336 0.666664 0.757861 W\n0.333309 0.666691 0.494224 W\n0.333329 0.666671 0.825720 W\n0.333311 0.666689 0.023292 W\n0.333319 0.666681 0.360866 W\n0.333314 0.666686 0.690618 W\n0.666646 0.333354 0.308098 W\n0.666681 0.333319 0.638258 W\n0.666687 0.333313 0.969842 W\n0.666782 0.333218 0.117226 N\n0.666653 0.333347 0.459790 N\n0.666670 0.333330 0.791186 N\n0.333316 0.666684 0.214497 N\n0.333315 0.666685 0.542304 N\n0.333347 0.666653 0.874283 N\n0.333295 0.666705 0.275926 N\n0.333332 0.666668 0.604137 N\n0.333333 0.666667 0.936694 N\n0.666636 0.333363 0.055498 N\n0.666654 0.333346 0.394121 N\n0.666672 0.333328 0.725113 N\n",
"nsites": 26,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 14.67574011379466,
"density_atomic": 0.08380734675795821,
"volume": 310.2353314571563,
"volume_molar": 7.185695518308659,
"formula_full": "W14 N12",
"formula_reduced": "W7N6",
"formula_anonymous": "A6B7",
"energy": -290.60375551,
"energy_per_atom": -11.177067519615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.27175551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.590000Z",
"spacegroup": 156
},
{
"id": "mp-753721",
"created_at": "2022-09-04T14:40:57.705412Z",
"structure_string": "Gd2 O2 F2\n1.0\n6.571965 -1.942778 0.000000\n6.571965 1.942778 0.000000\n5.997649 0.000000 3.315617\nGd O F\n2 2 2\ndirect\n0.259101 0.259101 0.259101 Gd\n0.740899 0.740899 0.740899 Gd\n0.377860 0.377860 0.377860 O\n0.622140 0.622140 0.622140 O\n0.129649 0.129649 0.129649 F\n0.870351 0.870351 0.870351 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Gd",
"O",
"F"
],
"chemical_system": "F-Gd-O",
"density": 7.54097857439577,
"density_atomic": 0.07086609111200885,
"volume": 84.66672714481425,
"volume_molar": 8.49791580924307,
"formula_full": "Gd2 O2 F2",
"formula_reduced": "GdOF",
"formula_anonymous": "ABC",
"energy": -67.04372599,
"energy_per_atom": -11.173954331666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.74572599,
"band_gap": 3.3707000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.0063976,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.844000Z",
"spacegroup": 166
},
{
"id": "mp-1180495",
"created_at": "2022-09-04T14:48:22.217371Z",
"structure_string": "Mn6 W20 C8\n1.0\n8.005280 0.001160 0.000000\n-4.001635 6.933356 0.000000\n0.000000 0.000000 8.027776\nMn W C\n6 20 8\ndirect\n0.466780 0.533220 0.250000 Mn\n0.466939 0.933796 0.250000 Mn\n0.066204 0.533061 0.250000 Mn\n0.533220 0.466780 0.750000 Mn\n0.533061 0.066204 0.750000 Mn\n0.933796 0.466939 0.750000 Mn\n0.117603 0.882397 0.250000 W\n0.117494 0.235127 0.250000 W\n0.764873 0.882506 0.250000 W\n0.882397 0.117603 0.750000 W\n0.882506 0.764873 0.750000 W\n0.235127 0.117494 0.750000 W\n0.208918 0.791083 0.941301 W\n0.208984 0.417856 0.941109 W\n0.582144 0.791016 0.941109 W\n0.791083 0.208918 0.058699 W\n0.791016 0.582144 0.058891 W\n0.417856 0.208984 0.058891 W\n0.791083 0.208918 0.441301 W\n0.791016 0.582144 0.441109 W\n0.417856 0.208984 0.441109 W\n0.208918 0.791083 0.558699 W\n0.208984 0.417856 0.558891 W\n0.582144 0.791016 0.558891 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.333224 0.666776 0.250000 C\n0.666776 0.333224 0.750000 C\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Mn",
"W",
"C"
],
"chemical_system": "C-Mn-W",
"density": 15.287890491514815,
"density_atomic": 0.0763004896028846,
"volume": 445.60657706074016,
"volume_molar": 7.892663325416365,
"formula_full": "Mn6 W20 C8",
"formula_reduced": "Mn3(W5C2)2",
"formula_anonymous": "A3B4C10",
"energy": -379.75942142,
"energy_per_atom": -11.16939474764706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -379.75942142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2004798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:02.908000Z",
"spacegroup": 194
},
{
"id": "mp-1187209",
"created_at": "2022-09-04T14:48:17.856448Z",
"structure_string": "Ta2 Ti1 W1\n1.0\n0.000000 3.256824 3.256824\n3.256824 0.000000 3.256824\n3.256824 3.256824 0.000000\nTa Ti W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"W"
],
"chemical_system": "Ta-Ti-W",
"density": 14.266983010646229,
"density_atomic": 0.05789580893480449,
"volume": 69.08962969157808,
"volume_molar": 10.401686876473965,
"formula_full": "Ta2 Ti1 W1",
"formula_reduced": "Ta2TiW",
"formula_anonymous": "ABC2",
"energy": -44.67165373,
"energy_per_atom": -11.1679134325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.67165373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0510882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:58.136000Z",
"spacegroup": 225
},
{
"id": "mp-20486",
"created_at": "2022-09-04T14:39:48.226065Z",
"structure_string": "Pu3 Ga1\n1.0\n4.131532 0.000000 0.000000\n0.000000 4.131532 0.000000\n0.000000 0.000000 4.131532\nPu Ga\n3 1\ndirect\n0.000000 0.500000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.500000 0.000000 0.500000 Pu\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Ga"
],
"chemical_system": "Ga-Pu",
"density": 18.87730869724272,
"density_atomic": 0.056718747090480824,
"volume": 70.523419595623,
"volume_molar": 10.6175489920346,
"formula_full": "Pu3 Ga1",
"formula_reduced": "Pu3Ga",
"formula_anonymous": "AB3",
"energy": -44.66753251,
"energy_per_atom": -11.1668831275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.66753251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.8830165,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.471000Z",
"spacegroup": 221
},
{
"id": "mp-1184505",
"created_at": "2022-09-04T14:40:39.161587Z",
"structure_string": "Gd1 Pa1 Tc2\n1.0\n0.000000 3.438752 3.438752\n3.438752 0.000000 3.438752\n3.438752 3.438752 0.000000\nGd Pa Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Pa\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Pa",
"Tc"
],
"chemical_system": "Gd-Pa-Tc",
"density": 11.930040692209607,
"density_atomic": 0.04918440565145402,
"volume": 81.32659014619503,
"volume_molar": 12.244004334780387,
"formula_full": "Gd1 Pa1 Tc2",
"formula_reduced": "GdPaTc2",
"formula_anonymous": "ABC2",
"energy": -44.65079324,
"energy_per_atom": -11.16269831,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.65079324,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8323621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.275000Z",
"spacegroup": 225
},
{
"id": "mp-754349",
"created_at": "2022-09-04T14:45:17.230561Z",
"structure_string": "Gd2 O2 F2\n1.0\n3.925634 0.000000 0.000000\n0.000000 3.925634 0.000000\n0.000000 0.000000 5.600655\nGd O F\n2 2 2\ndirect\n0.000000 0.500000 0.711725 Gd\n0.500000 0.000000 0.288275 Gd\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Gd",
"O",
"F"
],
"chemical_system": "F-Gd-O",
"density": 7.39745011495,
"density_atomic": 0.06951728726859452,
"volume": 86.30946683546138,
"volume_molar": 8.662795970061671,
"formula_full": "Gd2 O2 F2",
"formula_reduced": "GdOF",
"formula_anonymous": "ABC",
"energy": -66.97490245,
"energy_per_atom": -11.162483741666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.67690245,
"band_gap": 2.9256,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9993534,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.876000Z",
"spacegroup": 129
},
{
"id": "mp-1194646",
"created_at": "2022-09-04T14:42:23.497868Z",
"structure_string": "Gd12 Te8 N4 O4\n1.0\n13.553622 0.000000 0.000000\n0.000000 4.116702 0.000000\n0.000000 0.000000 12.207451\nGd Te N O\n12 8 4 4\ndirect\n0.521643 0.250000 0.621311 Gd\n0.021643 0.250000 0.878689 Gd\n0.478357 0.750000 0.378689 Gd\n0.978357 0.750000 0.121311 Gd\n0.688706 0.250000 0.351149 Gd\n0.188706 0.250000 0.148851 Gd\n0.311294 0.750000 0.648851 Gd\n0.811294 0.750000 0.851149 Gd\n0.895020 0.250000 0.613850 Gd\n0.395020 0.250000 0.886150 Gd\n0.104980 0.750000 0.386150 Gd\n0.604980 0.750000 0.113850 Gd\n0.771961 0.250000 0.072025 Te\n0.271961 0.250000 0.427975 Te\n0.228039 0.750000 0.927975 Te\n0.728039 0.750000 0.572025 Te\n0.934119 0.250000 0.347672 Te\n0.434119 0.250000 0.152328 Te\n0.065881 0.750000 0.652328 Te\n0.565881 0.750000 0.847672 Te\n0.869741 0.250000 0.788909 N\n0.369741 0.250000 0.711091 N\n0.130259 0.750000 0.211091 N\n0.630259 0.750000 0.288909 N\n0.540517 0.250000 0.433016 O\n0.040517 0.250000 0.066984 O\n0.459483 0.750000 0.566984 O\n0.959483 0.750000 0.933016 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Gd",
"Te",
"N",
"O"
],
"chemical_system": "Gd-N-O-Te",
"density": 7.381591244127151,
"density_atomic": 0.041108179277761885,
"volume": 681.1296557506997,
"volume_molar": 14.649495224075203,
"formula_full": "Gd12 Te8 N4 O4",
"formula_reduced": "Gd3Te2NO",
"formula_anonymous": "ABC2D3",
"energy": -312.44849094,
"energy_per_atom": -11.158874676428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.88049094,
"band_gap": 0.8444999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9999998,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.389000Z",
"spacegroup": 62
}
]
}