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=112",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=110",
"results": [
{
"id": "mp-132",
"created_at": "2022-09-04T14:40:20.713519Z",
"structure_string": "Ca2\n1.0\n1.948306 -3.374565 0.000000\n1.948306 3.374565 0.000000\n0.000000 0.000000 6.451322\nCa\n2\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750000 Ca\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.56903074470097,
"density_atomic": 0.023576336156051227,
"volume": 84.83082302364735,
"volume_molar": 25.543157851752657,
"formula_full": "Ca2",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -3.9990463,
"energy_per_atom": -1.99952315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.9990463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0138661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.413000Z",
"spacegroup": 194
},
{
"id": "mp-22672",
"created_at": "2022-09-04T14:44:17.330291Z",
"structure_string": "Ce1 C1\n1.0\n0.000000 2.596069 2.596069\n2.596069 0.000000 2.596069\n2.596069 2.596069 0.000000\nCe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"C"
],
"chemical_system": "C-Ce",
"density": 7.218980231461603,
"density_atomic": 0.05715461534700054,
"volume": 34.99279958158199,
"volume_molar": 10.536578233337794,
"formula_full": "Ce1 C1",
"formula_reduced": "CeC",
"formula_anonymous": "AB",
"energy": -15.27295959,
"energy_per_atom": -7.636479795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.27295959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002697,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.812000Z",
"spacegroup": 225
},
{
"id": "mp-22875",
"created_at": "2022-09-04T14:40:00.334941Z",
"structure_string": "Tl1 Br1\n1.0\n4.057120 0.000000 0.000000\n0.000000 4.057120 0.000000\n0.000000 0.000000 4.057120\nTl Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Br"
],
"chemical_system": "Br-Tl",
"density": 7.068918855673896,
"density_atomic": 0.02994859382364082,
"volume": 66.78109869790414,
"volume_molar": 20.108258823311576,
"formula_full": "Tl1 Br1",
"formula_reduced": "TlBr",
"formula_anonymous": "AB",
"energy": -6.21073496,
"energy_per_atom": -3.10536748,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.67673496,
"band_gap": 1.9877,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006975,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.640000Z",
"spacegroup": 221
},
{
"id": "mp-975204",
"created_at": "2022-09-04T14:40:40.967739Z",
"structure_string": "Rb2\n1.0\n2.505664 -4.451718 0.000000\n2.505664 4.451718 0.000000\n0.000000 0.000000 8.184475\nRb\n2\ndirect\n0.839840 0.160160 0.250000 Rb\n0.160160 0.839840 0.750000 Rb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.554570124248827,
"density_atomic": 0.01095364583240984,
"volume": 182.58760878340294,
"volume_molar": 54.97841405627324,
"formula_full": "Rb2",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -1.93738593,
"energy_per_atom": -0.968692965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.93738593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0221897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.617000Z",
"spacegroup": 63
},
{
"id": "mp-23295",
"created_at": "2022-09-04T14:42:15.981254Z",
"structure_string": "Rb1 Cl1\n1.0\n0.000000 3.349364 3.349364\n3.349364 0.000000 3.349364\n3.349364 3.349364 0.000000\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Cl"
],
"chemical_system": "Cl-Rb",
"density": 2.671979177096913,
"density_atomic": 0.026614171784882828,
"volume": 75.14793306985507,
"volume_molar": 22.627571538486308,
"formula_full": "Rb1 Cl1",
"formula_reduced": "RbCl",
"formula_anonymous": "AB",
"energy": -7.31881161,
"energy_per_atom": -3.659405805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.70481161,
"band_gap": 4.8388,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003388,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.993000Z",
"spacegroup": 225
},
{
"id": "mp-985290",
"created_at": "2022-09-04T14:40:15.992488Z",
"structure_string": "Ba1 Ce1\n1.0\n1.958947 -3.392996 0.000000\n1.958947 3.392996 0.000000\n0.000000 0.000000 6.619631\nBa Ce\n1 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Ce\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Ce"
],
"chemical_system": "Ba-Ce",
"density": 5.235438456276695,
"density_atomic": 0.02272794580141576,
"volume": 87.9973939340975,
"volume_molar": 26.496634639215266,
"formula_full": "Ba1 Ce1",
"formula_reduced": "BaCe",
"formula_anonymous": "AB",
"energy": -7.01530067,
"energy_per_atom": -3.507650335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.01530067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8028064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.795000Z",
"spacegroup": 187
},
{
"id": "mp-21263",
"created_at": "2022-09-04T14:40:54.136784Z",
"structure_string": "Pu1 Sb1\n1.0\n3.769782 0.000000 0.000000\n0.000000 3.769782 0.000000\n0.000000 0.000000 3.769782\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": 11.33695954484827,
"density_atomic": 0.03733200251153512,
"volume": 53.573338300886086,
"volume_molar": 16.131309211551763,
"formula_full": "Pu1 Sb1",
"formula_reduced": "PuSb",
"formula_anonymous": "AB",
"energy": -19.74155238,
"energy_per_atom": -9.87077619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.54955238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6347841,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.274000Z",
"spacegroup": 221
},
{
"id": "mp-1009583",
"created_at": "2022-09-04T14:40:41.342295Z",
"structure_string": "Pr1 As1\n1.0\n3.924696 0.000000 0.000000\n0.000000 3.924696 0.000000\n0.000000 0.000000 3.280983\nPr As\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"As"
],
"chemical_system": "As-Pr",
"density": 7.091585992005272,
"density_atomic": 0.039574366375510685,
"volume": 50.53776429475913,
"volume_molar": 15.21727651393708,
"formula_full": "Pr1 As1",
"formula_reduced": "PrAs",
"formula_anonymous": "AB",
"energy": -11.57176612,
"energy_per_atom": -5.78588306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.57176612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.619000Z",
"spacegroup": 123
},
{
"id": "mp-1219657",
"created_at": "2022-09-04T14:40:20.389689Z",
"structure_string": "Pu1 Th1\n1.0\n5.698498 -1.744254 0.000000\n5.698498 1.744254 0.000000\n5.164599 0.000000 2.973587\nPu Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Th"
],
"chemical_system": "Pu-Th",
"density": 13.372419778463101,
"density_atomic": 0.03383367885985523,
"volume": 59.11269679789583,
"volume_molar": 17.799249041006497,
"formula_full": "Pu1 Th1",
"formula_reduced": "PuTh",
"formula_anonymous": "AB",
"energy": -19.70119417,
"energy_per_atom": -9.850597085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.70119417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2330643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.338000Z",
"spacegroup": 166
},
{
"id": "mp-1228868",
"created_at": "2022-09-04T14:44:19.812957Z",
"structure_string": "Al1 Ni1\n1.0\n-1.938694 -1.381114 1.381114\n-1.938694 1.381114 -1.381114\n0.000000 -2.191628 -2.191628\nAl Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Ni"
],
"chemical_system": "Al-Ni",
"density": 6.060902167304869,
"density_atomic": 0.085204860588514,
"volume": 23.472839297968516,
"volume_molar": 7.0678371144613,
"formula_full": "Al1 Ni1",
"formula_reduced": "AlNi",
"formula_anonymous": "AB",
"energy": -10.78983241,
"energy_per_atom": -5.394916205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.78983241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.652000Z",
"spacegroup": 123
},
{
"id": "mp-1009835",
"created_at": "2022-09-04T14:39:35.021486Z",
"structure_string": "Ta1 C1\n1.0\n2.797247 0.000000 0.000000\n0.000000 2.797247 0.000000\n0.000000 0.000000 2.797247\nTa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 14.639314524965723,
"density_atomic": 0.09137713671993476,
"volume": 21.88731308281059,
"volume_molar": 6.590424012143745,
"formula_full": "Ta1 C1",
"formula_reduced": "TaC",
"formula_anonymous": "AB",
"energy": -20.17197332,
"energy_per_atom": -10.08598666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.17197332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.658000Z",
"spacegroup": 221
},
{
"id": "mp-1526",
"created_at": "2022-09-04T14:41:04.315791Z",
"structure_string": "Ti1 Hg1\n1.0\n3.045089 0.000000 0.000000\n0.000000 3.045089 0.000000\n0.000000 0.000000 4.102296\nTi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Hg"
],
"chemical_system": "Hg-Ti",
"density": 10.84609390029329,
"density_atomic": 0.052577873987302154,
"volume": 38.03881458734925,
"volume_molar": 11.453754789427924,
"formula_full": "Ti1 Hg1",
"formula_reduced": "TiHg",
"formula_anonymous": "AB",
"energy": -8.21765138,
"energy_per_atom": -4.10882569,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.21765138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8832801,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.228000Z",
"spacegroup": 123
}
]
}