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=-id&page=11572",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=11570",
"results": [
{
"id": "mp-1038976",
"created_at": "2022-09-04T14:44:20.861235Z",
"structure_string": "Ce1 Mg5\n1.0\n1.590900 -2.755519 0.000000\n1.590900 2.755519 0.000000\n0.000000 0.000000 16.136789\nCe Mg\n1 5\ndirect\n0.666667 0.333333 0.000000 Ce\n0.000000 0.000000 0.821234 Mg\n0.666667 0.333333 0.661784 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.338216 Mg\n0.000000 0.000000 0.178766 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 3.07087041237121,
"density_atomic": 0.042408981509953404,
"volume": 141.47946464104066,
"volume_molar": 14.200154178629829,
"formula_full": "Ce1 Mg5",
"formula_reduced": "CeMg5",
"formula_anonymous": "AB5",
"energy": -14.02745951,
"energy_per_atom": -2.337909918333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.02745951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.454000Z",
"spacegroup": 187
},
{
"id": "mp-1038975",
"created_at": "2022-09-04T14:47:16.991901Z",
"structure_string": "Mg2 Cd2\n1.0\n1.624655 -2.813984 0.000000\n1.624655 2.813984 0.000000\n0.000000 0.000000 9.783840\nMg Cd\n2 2\ndirect\n0.333333 0.666667 0.628974 Mg\n0.666667 0.333333 0.371026 Mg\n0.666667 0.333333 0.874065 Cd\n0.333333 0.666667 0.125935 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.075470686227626,
"density_atomic": 0.044713418921383356,
"volume": 89.45860317755918,
"volume_molar": 13.468307513206117,
"formula_full": "Mg2 Cd2",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -5.1354222,
"energy_per_atom": -1.28385555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.1354222,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.966000Z",
"spacegroup": 164
},
{
"id": "mp-1038972",
"created_at": "2022-09-04T14:44:20.693325Z",
"structure_string": "Mg1 Cd1\n1.0\n4.798411 -1.667390 0.000000\n4.798411 1.667390 0.000000\n4.219013 0.000000 2.829288\nMg Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.014488632215063,
"density_atomic": 0.04417618478167113,
"volume": 45.273262276596775,
"volume_molar": 13.632097904703192,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.6376217,
"energy_per_atom": -1.31881085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.6376217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.324000Z",
"spacegroup": 166
},
{
"id": "mp-1038971",
"created_at": "2022-09-04T14:40:42.817779Z",
"structure_string": "Ce5 Mg1\n1.0\n5.775958 -2.919850 0.000000\n5.775958 2.919850 0.000000\n4.299922 0.000000 4.837136\nCe Mg\n5 1\ndirect\n0.000000 0.671545 0.328455 Ce\n0.167562 0.167562 0.167562 Ce\n0.328455 0.000000 0.671545 Ce\n0.671545 0.328455 0.000000 Ce\n0.832438 0.832438 0.832438 Ce\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 7.377604145331468,
"density_atomic": 0.0367746365148397,
"volume": 163.15592942920904,
"volume_molar": 16.375799547522057,
"formula_full": "Ce5 Mg1",
"formula_reduced": "Ce5Mg",
"formula_anonymous": "AB5",
"energy": -30.70296165,
"energy_per_atom": -5.117160275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.70296165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4923751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.369000Z",
"spacegroup": 155
},
{
"id": "mp-1038970",
"created_at": "2022-09-04T14:46:09.564789Z",
"structure_string": "Mg3 Bi3\n1.0\n1.688762 5.962753 0.000000\n-1.688762 5.962753 0.000000\n0.000000 3.125653 8.187711\nMg Bi\n3 3\ndirect\n0.019125 0.019125 0.998700 Mg\n0.395124 0.395124 0.725943 Mg\n0.313425 0.313425 0.329183 Mg\n0.672021 0.672021 0.670085 Bi\n0.016922 0.016922 0.400437 Bi\n0.750050 0.750050 0.042319 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 7.047744372452048,
"density_atomic": 0.03638676802412094,
"volume": 164.89510681527346,
"volume_molar": 16.550359064613534,
"formula_full": "Mg3 Bi3",
"formula_reduced": "MgBi",
"formula_anonymous": "AB",
"energy": -16.54290672,
"energy_per_atom": -2.75715112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.54290672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0153894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.516000Z",
"spacegroup": 8
},
{
"id": "mp-1038961",
"created_at": "2022-09-04T14:45:34.886534Z",
"structure_string": "Ca1 Mg1\n1.0\n1.834059 -3.176684 0.000000\n1.834059 3.176684 0.000000\n0.000000 0.000000 5.622298\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6318834280746315,
"density_atomic": 0.030528032900526275,
"volume": 65.51355622934754,
"volume_molar": 19.72659286506529,
"formula_full": "Ca1 Mg1",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy": -3.49333957,
"energy_per_atom": -1.746669785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.49333957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.960000Z",
"spacegroup": 187
},
{
"id": "mp-1038955",
"created_at": "2022-09-04T14:42:08.035079Z",
"structure_string": "Ce2 Mg4\n1.0\n1.589836 6.647301 0.000000\n-1.589836 6.647301 0.000000\n0.000000 1.606266 7.243409\nCe Mg\n2 4\ndirect\n0.516333 0.516333 0.674267 Ce\n0.483667 0.483667 0.325733 Ce\n0.794104 0.794104 0.647815 Mg\n0.148700 0.148700 0.968929 Mg\n0.851300 0.851300 0.031071 Mg\n0.205896 0.205896 0.352185 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.093927550119055,
"density_atomic": 0.039190479281994324,
"volume": 153.09840833604298,
"volume_molar": 15.366336085526804,
"formula_full": "Ce2 Mg4",
"formula_reduced": "CeMg2",
"formula_anonymous": "AB2",
"energy": -18.21216624,
"energy_per_atom": -3.0353610399999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.21216624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8257278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.121000Z",
"spacegroup": 12
},
{
"id": "mp-1038953",
"created_at": "2022-09-04T14:45:15.808077Z",
"structure_string": "Ca6 Mg6\n1.0\n5.318255 0.000000 0.000000\n0.000000 5.349221 0.000000\n0.000000 0.000000 13.228178\nCa Mg\n6 6\ndirect\n-0.000000 0.500000 0.181511 Ca\n0.500000 0.500000 0.376427 Ca\n0.500000 0.000000 0.187378 Ca\n-0.000000 0.000000 0.681511 Ca\n0.500000 0.000000 0.876427 Ca\n0.500000 0.500000 0.687378 Ca\n0.000000 0.500000 0.517064 Mg\n-0.000000 0.000000 0.380350 Mg\n0.500000 0.500000 0.023937 Mg\n0.000000 0.000000 0.017064 Mg\n-0.000000 0.500000 0.880350 Mg\n0.500000 0.000000 0.523937 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.70455817918411,
"density_atomic": 0.031887576820599874,
"volume": 376.32210398150454,
"volume_molar": 18.88553901063314,
"formula_full": "Ca6 Mg6",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy": -22.04215743,
"energy_per_atom": -1.8368464525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.04215743,
"band_gap": 0.2543999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0018137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.871000Z",
"spacegroup": 38
},
{
"id": "mp-1038949",
"created_at": "2022-09-04T14:42:04.646316Z",
"structure_string": "Ce1 Mg5\n1.0\n2.899183 -5.021532 0.000000\n2.899183 5.021532 0.000000\n0.000000 0.000000 5.352312\nCe Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ce\n0.647582 0.000000 0.000000 Mg\n0.352418 0.352418 0.000000 Mg\n0.000000 0.647582 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 2.7878642097477804,
"density_atomic": 0.038500641787798974,
"volume": 155.84155799453262,
"volume_molar": 15.64166330834631,
"formula_full": "Ce1 Mg5",
"formula_reduced": "CeMg5",
"formula_anonymous": "AB5",
"energy": -13.63226601,
"energy_per_atom": -2.272044335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.63226601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3551586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.502000Z",
"spacegroup": 189
},
{
"id": "mp-1038946",
"created_at": "2022-09-04T14:39:14.021313Z",
"structure_string": "Ca2 Mg4\n1.0\n2.953969 5.115377 0.000000\n-2.953969 5.115377 0.000000\n0.000000 3.164521 5.649273\nCa Mg\n2 4\ndirect\n0.090774 0.909226 0.250000 Ca\n0.909226 0.090774 0.750000 Ca\n0.253594 0.417225 0.748640 Mg\n0.582775 0.746406 0.751360 Mg\n0.417225 0.253594 0.248640 Mg\n0.746406 0.582775 0.251360 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7251935130090057,
"density_atomic": 0.03514350817642566,
"volume": 170.72854451180865,
"volume_molar": 17.135855446667286,
"formula_full": "Ca2 Mg4",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy": -10.38945102,
"energy_per_atom": -1.73157517,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.38945102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.907000Z",
"spacegroup": 15
},
{
"id": "mp-1038944",
"created_at": "2022-09-04T14:39:30.580386Z",
"structure_string": "Mg6 Cd6\n1.0\n4.952610 0.000000 0.000000\n0.000000 3.382370 0.000000\n0.000000 0.000000 15.918269\nMg Cd\n6 6\ndirect\n0.000000 0.000000 0.666963 Mg\n0.500000 0.000000 0.551858 Mg\n0.500000 0.500000 0.723769 Mg\n0.000000 0.500000 0.166963 Mg\n0.500000 0.500000 0.051858 Mg\n0.500000 -0.000000 0.223769 Mg\n-0.000000 0.500000 0.504518 Cd\n-0.000000 0.500000 0.829898 Cd\n0.500000 0.000000 0.889662 Cd\n0.000000 0.000000 0.004518 Cd\n-0.000000 0.000000 0.329898 Cd\n0.500000 0.500000 0.389662 Cd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.1082084117738535,
"density_atomic": 0.04500182875120542,
"volume": 266.65583006287426,
"volume_molar": 13.38199119261057,
"formula_full": "Mg6 Cd6",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -15.69542899,
"energy_per_atom": -1.3079524158333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.69542899,
"band_gap": 0.7843,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.759000Z",
"spacegroup": 38
},
{
"id": "mp-1038937",
"created_at": "2022-09-04T14:47:07.703912Z",
"structure_string": "Ca4 Mg2\n1.0\n3.186033 -5.518370 0.000000\n3.186033 5.518370 0.000000\n0.000000 0.000000 5.968720\nCa Mg\n4 2\ndirect\n0.000000 0.653132 0.500000 Ca\n0.653132 0.000000 0.500000 Ca\n0.346868 0.346868 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.652954825119741,
"density_atomic": 0.02858768333703181,
"volume": 209.88059540409634,
"volume_molar": 21.06550813860129,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -11.09843847,
"energy_per_atom": -1.849739745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.09843847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.905000Z",
"spacegroup": 189
}
]
}