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=nsites&page=49",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=47",
"results": [
{
"id": "mp-2566",
"created_at": "2022-09-04T14:47:57.845572Z",
"structure_string": "Pu1 Sb1\n1.0\n0.000000 3.134345 3.134345\n3.134345 0.000000 3.134345\n3.134345 3.134345 0.000000\nPu Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Sb"
],
"chemical_system": "Pu-Sb",
"density": 9.862225233923663,
"density_atomic": 0.032475781160343796,
"volume": 61.58435389514823,
"volume_molar": 18.543482388511848,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy": -19.86176998,
"energy_per_atom": -9.93088499,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.66976998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0303919,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.476000Z",
"spacegroup": 225
},
{
"id": "mp-2781",
"created_at": "2022-09-04T14:39:45.582030Z",
"structure_string": "Sc1 Pd1\n1.0\n3.319233 0.000000 0.000000\n0.000000 3.319233 0.000000\n0.000000 0.000000 3.319233\nSc Pd\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Pd"
],
"chemical_system": "Pd-Sc",
"density": 6.873732883905927,
"density_atomic": 0.054691114908463526,
"volume": 36.56901131650723,
"volume_molar": 11.011186680101972,
"formula_full": "Sc1 Pd1",
"formula_reduced": "ScPd",
"formula_anonymous": "AB",
"energy": -13.32789243,
"energy_per_atom": -6.663946215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.32789243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.285000Z",
"spacegroup": 221
},
{
"id": "mp-2861",
"created_at": "2022-09-04T14:47:57.865609Z",
"structure_string": "Ca1 Tl1\n1.0\n3.907759 0.000000 0.000000\n0.000000 3.907759 0.000000\n0.000000 0.000000 3.907759\nCa Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Tl"
],
"chemical_system": "Ca-Tl",
"density": 6.802615094864166,
"density_atomic": 0.03351557539089405,
"volume": 59.67374800145565,
"volume_molar": 17.968185507076733,
"formula_full": "Ca1 Tl1",
"formula_reduced": "CaTl",
"formula_anonymous": "AB",
"energy": -5.25902613,
"energy_per_atom": -2.629513065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.25902613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.701000Z",
"spacegroup": 221
},
{
"id": "mp-21462",
"created_at": "2022-09-04T14:44:59.829577Z",
"structure_string": "Eu2\n1.0\n2.025328 -3.507971 0.000000\n2.025328 3.507971 0.000000\n0.000000 0.000000 6.513786\nEu\n2\ndirect\n0.333333 0.666667 0.250000 Eu\n0.666667 0.333333 0.750000 Eu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 5.452616661628094,
"density_atomic": 0.02160802891342242,
"volume": 92.55818788532096,
"volume_molar": 27.869921796796483,
"formula_full": "Eu2",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -20.49290429,
"energy_per_atom": -10.246452145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.49290429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.8417364,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.441000Z",
"spacegroup": 194
},
{
"id": "mp-634105",
"created_at": "2022-09-04T14:47:58.631070Z",
"structure_string": "H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Br"
],
"chemical_system": "Br-H",
"density": 2.3314997790365335,
"density_atomic": 0.0347059280895231,
"volume": 57.62704270120794,
"volume_molar": 17.351908136460242,
"formula_full": "H1 Br1",
"formula_reduced": "HBr",
"formula_anonymous": "AB",
"energy": -5.44598591,
"energy_per_atom": -2.722992955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91198591,
"band_gap": 1.4833,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.148000Z",
"spacegroup": 69
},
{
"id": "mp-1238899",
"created_at": "2022-09-04T14:47:58.698288Z",
"structure_string": "Mn1 O1\n1.0\n2.970707 0.000508 1.718000\n0.991301 2.803818 1.716982\n0.326676 -1.871844 2.868113\nMn O\n1 1\ndirect\n0.000397 0.499801 0.499335 Mn\n0.499604 0.250198 0.750664 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.107990123910407,
"density_atomic": 0.06974847987667881,
"volume": 28.674460053268092,
"volume_molar": 8.634081732888877,
"formula_full": "Mn1 O1",
"formula_reduced": "MnO",
"formula_anonymous": "AB",
"energy": -17.908837769999998,
"energy_per_atom": -8.954418884999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.55383777,
"band_gap": 0.0053,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9999661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.994000Z",
"spacegroup": 216
},
{
"id": "mp-88",
"created_at": "2022-09-04T14:44:22.018299Z",
"structure_string": "Dy2\n1.0\n1.813352 -3.140817 0.000000\n1.813352 3.140817 0.000000\n0.000000 0.000000 5.616372\nDy\n2\ndirect\n0.333333 0.666667 0.250000 Dy\n0.666667 0.333333 0.750000 Dy\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.435714028256431,
"density_atomic": 0.03126218911189083,
"volume": 63.975046432026204,
"volume_molar": 19.263336737059877,
"formula_full": "Dy2",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -9.17815006,
"energy_per_atom": -4.58907503,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.17815006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1674133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.931000Z",
"spacegroup": 194
},
{
"id": "mp-1186621",
"created_at": "2022-09-04T14:48:03.334803Z",
"structure_string": "Pm1 Np1\n1.0\n1.683911 -2.916619 0.000000\n1.683911 2.916619 0.000000\n0.000000 0.000000 5.938332\nPm Np\n1 1\ndirect\n0.666667 0.333333 0.000000 Pm\n0.000000 0.000000 0.500000 Np\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"Np"
],
"chemical_system": "Np-Pm",
"density": 10.874746843843564,
"density_atomic": 0.034287568714986054,
"volume": 58.33017839861771,
"volume_molar": 17.56362724361936,
"formula_full": "Pm1 Np1",
"formula_reduced": "PmNp",
"formula_anonymous": "AB",
"energy": -16.49028564,
"energy_per_atom": -8.24514282,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.49028564,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3725217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.907000Z",
"spacegroup": 187
},
{
"id": "mp-1216313",
"created_at": "2022-09-04T14:48:03.498585Z",
"structure_string": "V1 Ni1\n1.0\n4.312149 -1.275992 0.000000\n4.312149 1.275992 0.000000\n3.934575 0.000000 2.177591\nV Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Ni"
],
"chemical_system": "Ni-V",
"density": 7.597136040713457,
"density_atomic": 0.08346069112272847,
"volume": 23.96337692745692,
"volume_molar": 7.215541447104094,
"formula_full": "V1 Ni1",
"formula_reduced": "VNi",
"formula_anonymous": "AB",
"energy": -14.88963436,
"energy_per_atom": -7.44481718,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.88963436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.042000Z",
"spacegroup": 166
},
{
"id": "mp-1009135",
"created_at": "2022-09-04T14:41:24.031670Z",
"structure_string": "Mn1 P1\n1.0\n0.000000 2.628569 2.628569\n2.628569 0.000000 2.628569\n2.628569 2.628569 0.000000\nMn P\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 3.927478445901474,
"density_atomic": 0.05506071602302181,
"volume": 36.32353780440789,
"volume_molar": 10.937272877966285,
"formula_full": "Mn1 P1",
"formula_reduced": "MnP",
"formula_anonymous": "AB",
"energy": -14.50182167,
"energy_per_atom": -7.250910835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.50182167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6551859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.267000Z",
"spacegroup": 216
},
{
"id": "mp-1187978",
"created_at": "2022-09-04T14:39:47.234353Z",
"structure_string": "Zn1 Co1\n1.0\n1.303612 -2.257922 0.000000\n1.303612 2.257922 0.000000\n0.000000 0.000000 4.171683\nZn Co\n1 1\ndirect\n0.666667 0.333333 0.000000 Zn\n0.000000 0.000000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Co"
],
"chemical_system": "Co-Zn",
"density": 8.407542031358526,
"density_atomic": 0.08143880936950566,
"volume": 24.558315813846974,
"volume_molar": 7.394681732976022,
"formula_full": "Zn1 Co1",
"formula_reduced": "ZnCo",
"formula_anonymous": "AB",
"energy": -8.29476841,
"energy_per_atom": -4.147384205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.29476841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3457305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.707000Z",
"spacegroup": 187
},
{
"id": "mp-614603",
"created_at": "2022-09-04T14:48:03.868247Z",
"structure_string": "Cs1 I1\n1.0\n0.000000 3.929589 3.929589\n3.929589 0.000000 3.929589\n3.929589 3.929589 0.000000\nCs I\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"I"
],
"chemical_system": "Cs-I",
"density": 3.554949583391213,
"density_atomic": 0.01648005329182429,
"volume": 121.35883085961832,
"volume_molar": 36.54199809528267,
"formula_full": "Cs1 I1",
"formula_reduced": "CsI",
"formula_anonymous": "AB",
"energy": -5.890282040000001,
"energy_per_atom": -2.9451410200000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.51128204,
"band_gap": 3.8556,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.607000Z",
"spacegroup": 225
}
]
}