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=spacegroup&page=10222",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10220",
"results": [
{
"id": "mp-30490",
"created_at": "2022-09-04T14:41:23.730752Z",
"structure_string": "Mg6 Cd2\n1.0\n3.155729 -5.465884 0.000000\n3.155729 5.465884 0.000000\n0.000000 0.000000 5.139525\nMg Cd\n6 2\ndirect\n0.832411 0.167589 0.250000 Mg\n0.832411 0.664823 0.250000 Mg\n0.335177 0.167589 0.250000 Mg\n0.167589 0.832411 0.750000 Mg\n0.167589 0.335177 0.750000 Mg\n0.664823 0.832411 0.750000 Mg\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.4713815849053447,
"density_atomic": 0.04512081098862815,
"volume": 177.3017777099851,
"volume_molar": 13.346703279597008,
"formula_full": "Mg6 Cd2",
"formula_reduced": "Mg3Cd",
"formula_anonymous": "AB3",
"energy": -12.10950545,
"energy_per_atom": -1.51368818125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.10950545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008152,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.588000Z",
"spacegroup": 194
},
{
"id": "mp-582360",
"created_at": "2022-09-04T14:41:26.649177Z",
"structure_string": "Ta10 Pd30\n1.0\n2.784940 -4.823657 0.000000\n2.784940 4.823657 0.000000\n0.000000 0.000000 23.412845\nTa Pd\n10 30\ndirect\n0.000000 0.000000 0.250000 Ta\n0.666667 0.333333 0.456281 Ta\n0.666667 0.333333 0.043719 Ta\n0.666667 0.333333 0.651192 Ta\n0.333333 0.666667 0.348808 Ta\n0.333333 0.666667 0.956281 Ta\n0.000000 0.000000 0.750000 Ta\n0.333333 0.666667 0.543719 Ta\n0.666667 0.333333 0.848808 Ta\n0.333333 0.666667 0.151192 Ta\n0.166786 0.833214 0.651033 Pd\n0.336391 0.168195 0.947486 Pd\n0.168195 0.831805 0.052514 Pd\n0.166786 0.333571 0.848967 Pd\n0.002113 0.501057 0.250000 Pd\n0.663609 0.831805 0.447486 Pd\n0.833214 0.666429 0.348967 Pd\n0.831805 0.168195 0.552514 Pd\n0.831805 0.663609 0.947486 Pd\n0.168195 0.831805 0.447486 Pd\n0.833214 0.166786 0.151033 Pd\n0.666429 0.833214 0.848967 Pd\n0.336391 0.168195 0.552514 Pd\n0.333571 0.166786 0.348967 Pd\n0.666429 0.833214 0.651033 Pd\n0.831805 0.168195 0.947486 Pd\n0.498943 0.997887 0.250000 Pd\n0.501057 0.498943 0.750000 Pd\n0.663609 0.831805 0.052514 Pd\n0.833214 0.166786 0.348967 Pd\n0.168195 0.336391 0.052514 Pd\n0.831805 0.663609 0.552514 Pd\n0.166786 0.333571 0.651033 Pd\n0.833214 0.666429 0.151033 Pd\n0.168195 0.336391 0.447486 Pd\n0.997887 0.498943 0.750000 Pd\n0.166786 0.833214 0.848967 Pd\n0.501057 0.002113 0.750000 Pd\n0.498943 0.501057 0.250000 Pd\n0.333571 0.166786 0.151033 Pd\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Ta",
"Pd"
],
"chemical_system": "Pd-Ta",
"density": 13.204537049422536,
"density_atomic": 0.06358922679085972,
"volume": 629.0373703010582,
"volume_molar": 9.47037896813304,
"formula_full": "Ta10 Pd30",
"formula_reduced": "TaPd3",
"formula_anonymous": "AB3",
"energy": -290.60492918,
"energy_per_atom": -7.2651232295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -290.60492918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005763,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.269000Z",
"spacegroup": 194
},
{
"id": "mp-12947",
"created_at": "2022-09-04T14:41:23.580045Z",
"structure_string": "La2 Mg2 Cu4\n1.0\n2.313573 -4.007226 0.000000\n2.313573 4.007226 0.000000\n0.000000 0.000000 8.976633\nLa Mg Cu\n2 2 4\ndirect\n0.666667 0.333333 0.750000 La\n0.333333 0.666667 0.250000 La\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.575324 Cu\n0.666667 0.333333 0.075324 Cu\n0.666667 0.333333 0.424676 Cu\n0.333333 0.666667 0.924676 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"Cu"
],
"chemical_system": "Cu-La-Mg",
"density": 5.792410268163539,
"density_atomic": 0.04806395203816887,
"volume": 166.44490643730225,
"volume_molar": 12.529433191880802,
"formula_full": "La2 Mg2 Cu4",
"formula_reduced": "LaMgCu2",
"formula_anonymous": "ABC2",
"energy": -30.95469978,
"energy_per_atom": -3.8693374725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.95469978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0289385,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.411000Z",
"spacegroup": 194
},
{
"id": "mp-1103459",
"created_at": "2022-09-04T14:41:24.118975Z",
"structure_string": "Np4 Re8\n1.0\n-2.553378 -4.495266 0.000000\n-2.553378 4.495266 0.000000\n0.000000 0.000000 -9.400734\nNp Re\n4 8\ndirect\n0.669020 0.330980 0.552647 Np\n0.330980 0.669020 0.447353 Np\n0.330980 0.669020 0.052647 Np\n0.669020 0.330980 0.947353 Np\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.169851 0.336986 0.750000 Re\n0.169067 0.830933 0.750000 Re\n0.663014 0.830149 0.750000 Re\n0.830149 0.663014 0.250000 Re\n0.830933 0.169067 0.250000 Re\n0.336986 0.169851 0.250000 Re\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Np",
"Re"
],
"chemical_system": "Np-Re",
"density": 18.756821621404512,
"density_atomic": 0.05560565726419708,
"volume": 215.80538007103934,
"volume_molar": 10.83008646294248,
"formula_full": "Np4 Re8",
"formula_reduced": "NpRe2",
"formula_anonymous": "AB2",
"energy": -147.9294246,
"energy_per_atom": -12.32745205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.9294246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4583438,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.098000Z",
"spacegroup": 194
},
{
"id": "mp-1018822",
"created_at": "2022-09-04T14:41:24.185173Z",
"structure_string": "Nd2 Zn2 In2\n1.0\n2.378453 -4.119601 0.000000\n2.378453 4.119601 0.000000\n0.000000 0.000000 7.615502\nNd Zn In\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Zn",
"In"
],
"chemical_system": "In-Nd-Zn",
"density": 7.2206125607323735,
"density_atomic": 0.040204344848828136,
"volume": 149.2376016214299,
"volume_molar": 14.978830727484253,
"formula_full": "Nd2 Zn2 In2",
"formula_reduced": "NdZnIn",
"formula_anonymous": "ABC",
"energy": -20.25786578,
"energy_per_atom": -3.3763109633333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.25786578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.02e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.151000Z",
"spacegroup": 194
},
{
"id": "mp-1184334",
"created_at": "2022-09-04T14:41:24.289374Z",
"structure_string": "Er2 Os6\n1.0\n2.889165 -5.004181 0.000000\n2.889165 5.004181 0.000000\n0.000000 0.000000 4.602439\nEr Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.160288 0.320575 0.250000 Os\n0.679425 0.839712 0.250000 Os\n0.160288 0.839712 0.250000 Os\n0.839712 0.679425 0.750000 Os\n0.320575 0.160288 0.750000 Os\n0.839712 0.160288 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Os"
],
"chemical_system": "Er-Os",
"density": 18.41543789119558,
"density_atomic": 0.060112749892549285,
"volume": 133.08324796819127,
"volume_molar": 10.018075650780398,
"formula_full": "Er2 Os6",
"formula_reduced": "ErOs3",
"formula_anonymous": "AB3",
"energy": -73.74682279,
"energy_per_atom": -9.21835284875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.74682279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.013601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.132000Z",
"spacegroup": 194
},
{
"id": "mp-985291",
"created_at": "2022-09-04T14:41:24.361099Z",
"structure_string": "Ac6 Hg2\n1.0\n3.852478 -6.672688 0.000000\n3.852478 6.672688 0.000000\n0.000000 0.000000 5.912549\nAc Hg\n6 2\ndirect\n0.175969 0.351939 0.250000 Ac\n0.648061 0.824031 0.250000 Ac\n0.175969 0.824031 0.250000 Ac\n0.824031 0.648061 0.750000 Ac\n0.351939 0.175969 0.750000 Ac\n0.824031 0.175969 0.750000 Ac\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Hg"
],
"chemical_system": "Ac-Hg",
"density": 9.631634945915158,
"density_atomic": 0.026317477019149802,
"volume": 303.98050672482145,
"volume_molar": 22.882667497412516,
"formula_full": "Ac6 Hg2",
"formula_reduced": "Ac3Hg",
"formula_anonymous": "AB3",
"energy": -25.90282922,
"energy_per_atom": -3.2378536525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.90282922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0505843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.745000Z",
"spacegroup": 194
},
{
"id": "mp-13051",
"created_at": "2022-09-04T14:41:24.458634Z",
"structure_string": "Sr4 Si2\n1.0\n2.706954 -4.688582 0.000000\n2.706954 4.688582 0.000000\n0.000000 0.000000 7.550654\nSr Si\n4 2\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.750000 Si\n0.333333 0.666667 0.250000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.523173129815888,
"density_atomic": 0.03130504218644467,
"volume": 191.6624154110882,
"volume_molar": 19.23696740011944,
"formula_full": "Sr4 Si2",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy": -19.1800617,
"energy_per_atom": -3.19667695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.3220617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.003000Z",
"spacegroup": 194
},
{
"id": "mp-1186833",
"created_at": "2022-09-04T14:41:24.497017Z",
"structure_string": "Pu2 Mn6\n1.0\n5.226269 -0.004781 0.000000\n-2.617278 4.530916 0.000000\n0.000000 0.000000 4.242848\nPu Mn\n2 6\ndirect\n0.333808 0.666419 0.750001 Pu\n0.667674 0.333458 0.250000 Pu\n0.164524 0.329664 0.250000 Mn\n0.670323 0.835330 0.250000 Mn\n0.164493 0.835065 0.250000 Mn\n0.835134 0.670659 0.750001 Mn\n0.329033 0.164638 0.750001 Mn\n0.835010 0.164765 0.750001 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Mn"
],
"chemical_system": "Mn-Pu",
"density": 13.520704136866536,
"density_atomic": 0.07966807068905563,
"volume": 100.41664032789232,
"volume_molar": 7.559039283760752,
"formula_full": "Pu2 Mn6",
"formula_reduced": "PuMn3",
"formula_anonymous": "AB3",
"energy": -80.67021015,
"energy_per_atom": -10.08377626875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.67021015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0166532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.951000Z",
"spacegroup": 194
},
{
"id": "mp-1018662",
"created_at": "2022-09-04T14:41:31.210856Z",
"structure_string": "Ce2 Sb2 Pd2\n1.0\n2.309155 -3.999574 0.000000\n2.309155 3.999574 0.000000\n0.000000 0.000000 7.938064\nCe Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Pd"
],
"chemical_system": "Ce-Pd-Sb",
"density": 8.341894278052017,
"density_atomic": 0.04092039682605431,
"volume": 146.62614405977013,
"volume_molar": 14.716721310399558,
"formula_full": "Ce2 Sb2 Pd2",
"formula_reduced": "CeSbPd",
"formula_anonymous": "ABC",
"energy": -36.45902583,
"energy_per_atom": -6.076504305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.45902583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.838000Z",
"spacegroup": 194
},
{
"id": "mp-1220720",
"created_at": "2022-09-04T14:41:24.663092Z",
"structure_string": "Nb4 Co6 Ge2\n1.0\n2.451918 -4.246846 0.000000\n2.451918 4.246846 0.000000\n0.000000 0.000000 7.687363\nNb Co Ge\n4 6 2\ndirect\n0.333333 0.666667 0.438760 Nb\n0.666667 0.333333 0.561240 Nb\n0.666667 0.333333 0.938760 Nb\n0.333333 0.666667 0.061240 Nb\n0.827849 0.172151 0.250000 Co\n0.827849 0.655699 0.250000 Co\n0.344301 0.172151 0.250000 Co\n0.172151 0.827849 0.750000 Co\n0.172151 0.344301 0.750000 Co\n0.655699 0.827849 0.750000 Co\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Nb",
"density": 9.02901497495697,
"density_atomic": 0.07495513774492712,
"volume": 160.09576342633224,
"volume_molar": 8.034326853608606,
"formula_full": "Nb4 Co6 Ge2",
"formula_reduced": "Nb2Co3Ge",
"formula_anonymous": "AB2C3",
"energy": -96.02442736,
"energy_per_atom": -8.002035613333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.02442736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.551000Z",
"spacegroup": 194
},
{
"id": "mp-973241",
"created_at": "2022-09-04T14:41:24.777234Z",
"structure_string": "Sm6 Ni14 B4\n1.0\n2.579952 -4.468608 0.000000\n2.579952 4.468608 0.000000\n0.000000 0.000000 14.418314\nSm Ni B\n6 14 4\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.333333 0.666667 0.531334 Sm\n0.666667 0.333333 0.031334 Sm\n0.666667 0.333333 0.468666 Sm\n0.333333 0.666667 0.968666 Sm\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.165211 0.330422 0.151058 Ni\n0.834789 0.669578 0.651058 Ni\n0.669578 0.834789 0.151058 Ni\n0.165211 0.834789 0.151058 Ni\n0.834789 0.165211 0.651058 Ni\n0.330422 0.165211 0.651058 Ni\n0.834789 0.669578 0.848942 Ni\n0.834789 0.165211 0.848942 Ni\n0.330422 0.165211 0.848942 Ni\n0.669578 0.834789 0.348942 Ni\n0.165211 0.834789 0.348942 Ni\n0.165211 0.330422 0.348942 Ni\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"Ni",
"B"
],
"chemical_system": "B-Ni-Sm",
"density": 8.826422567768132,
"density_atomic": 0.07219097079601657,
"volume": 332.45154810031033,
"volume_molar": 8.341958410583247,
"formula_full": "Sm6 Ni14 B4",
"formula_reduced": "Sm3Ni7B2",
"formula_anonymous": "A2B3C7",
"energy": -146.4945368,
"energy_per_atom": -6.103939033333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.4945368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012341,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.761000Z",
"spacegroup": 194
}
]
}