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=12144",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12142",
"results": [
{
"id": "mp-1009695",
"created_at": "2022-09-04T14:43:03.553372Z",
"structure_string": "Ca1 B2\n1.0\n1.613215 -2.794171 0.000000\n1.613215 2.794171 0.000000\n0.000000 0.000000 4.067392\nCa B\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"B"
],
"chemical_system": "B-Ca",
"density": 2.794106806770991,
"density_atomic": 0.08181444648945174,
"volume": 36.66834072374721,
"volume_molar": 7.3607303091348655,
"formula_full": "Ca1 B2",
"formula_reduced": "CaB2",
"formula_anonymous": "AB2",
"energy": -15.76553633,
"energy_per_atom": -5.255178776666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.76553633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.456000Z",
"spacegroup": 191
},
{
"id": "mp-1009694",
"created_at": "2022-09-04T14:48:01.104379Z",
"structure_string": "Re1 N1\n1.0\n0.000000 2.179033 2.179033\n2.179033 0.000000 2.179033\n2.179033 2.179033 0.000000\nRe N\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 16.06650713347729,
"density_atomic": 0.09665149538995656,
"volume": 20.692902804355658,
"volume_molar": 6.230778671041426,
"formula_full": "Re1 N1",
"formula_reduced": "ReN",
"formula_anonymous": "AB",
"energy": -19.03797118,
"energy_per_atom": -9.51898559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.67697118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.745000Z",
"spacegroup": 225
},
{
"id": "mp-1009663",
"created_at": "2022-09-04T14:41:18.156349Z",
"structure_string": "Re1 C1\n1.0\n0.000000 2.324745 2.324745\n2.324745 0.000000 2.324745\n2.324745 2.324745 0.000000\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 13.09892234175641,
"density_atomic": 0.0795928458191437,
"volume": 25.12788655081559,
"volume_molar": 7.566183490516118,
"formula_full": "Re1 C1",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy": -20.17800002,
"energy_per_atom": -10.08900001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.17800002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7696709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.274000Z",
"spacegroup": 216
},
{
"id": "mp-1009657",
"created_at": "2022-09-04T14:47:55.216509Z",
"structure_string": "Ca1 N2\n1.0\n-1.811314 1.811314 2.983552\n1.811314 -1.811314 2.983552\n1.811314 1.811314 -2.983552\nCa N\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.605291 0.605291 0.000000 N\n0.394709 0.394709 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.8877545079567786,
"density_atomic": 0.0766196500582307,
"volume": 39.15444664286524,
"volume_molar": 7.859786302108131,
"formula_full": "Ca1 N2",
"formula_reduced": "CaN2",
"formula_anonymous": "AB2",
"energy": -20.90610328,
"energy_per_atom": -6.968701093333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.18410328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038405,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.779000Z",
"spacegroup": 139
},
{
"id": "mp-1009655",
"created_at": "2022-09-04T14:47:20.783964Z",
"structure_string": "Ca1 C2\n1.0\n1.388386 -2.404755 0.000000\n1.388386 2.404755 0.000000\n0.000000 0.000000 4.183103\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 C\n0.333333 0.666667 0.500000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 3.810600724611133,
"density_atomic": 0.10740181944774788,
"volume": 27.93248769365152,
"volume_molar": 5.607112422271241,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy": -18.22867129,
"energy_per_atom": -6.076223763333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.22867129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.975000Z",
"spacegroup": 191
},
{
"id": "mp-1009654",
"created_at": "2022-09-04T14:39:34.278043Z",
"structure_string": "Ca1 Ge2\n1.0\n2.033184 -3.521578 0.000000\n2.033184 3.521578 0.000000\n0.000000 0.000000 4.970748\nCa Ge\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.606385 Ge\n0.333333 0.666667 0.393615 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 4.324089701786794,
"density_atomic": 0.04214591792966927,
"volume": 71.18127086486123,
"volume_molar": 14.288787754129375,
"formula_full": "Ca1 Ge2",
"formula_reduced": "CaGe2",
"formula_anonymous": "AB2",
"energy": -12.63489047,
"energy_per_atom": -4.211630156666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.63489047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.061000Z",
"spacegroup": 164
},
{
"id": "mp-1009653",
"created_at": "2022-09-04T14:41:46.149451Z",
"structure_string": "Ca1 C2\n1.0\n2.568406 -2.433105 0.000000\n2.568406 2.433105 0.000000\n0.263475 0.000000 3.528072\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.598202 0.598202 0.598202 C\n0.401798 0.401798 0.401798 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 2.413854561496169,
"density_atomic": 0.06803451490273638,
"volume": 44.09526553233848,
"volume_molar": 8.851596529510623,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy": -19.84728841,
"energy_per_atom": -6.615762803333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.84728841,
"band_gap": 1.7072000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.419000Z",
"spacegroup": 166
},
{
"id": "mp-1009652",
"created_at": "2022-09-04T14:41:14.351846Z",
"structure_string": "Rh1 C1\n1.0\n0.000000 2.177894 2.177894\n2.177894 0.000000 2.177894\n2.177894 2.177894 0.000000\nRh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"C"
],
"chemical_system": "C-Rh",
"density": 9.236132252425882,
"density_atomic": 0.09680321577167718,
"volume": 20.660470667805676,
"volume_molar": 6.22101312646885,
"formula_full": "Rh1 C1",
"formula_reduced": "RhC",
"formula_anonymous": "AB",
"energy": -14.38955277,
"energy_per_atom": -7.194776385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.38955277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.384544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.302000Z",
"spacegroup": 225
},
{
"id": "mp-1009651",
"created_at": "2022-09-04T14:42:55.994153Z",
"structure_string": "Ca1 Hg2\n1.0\n2.702903 -4.681565 0.000000\n2.702903 4.681565 0.000000\n0.000000 0.000000 3.589869\nCa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.946832 Hg\n0.333333 0.666667 0.053168 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 8.065133774496399,
"density_atomic": 0.03302106988770648,
"volume": 90.8510841775263,
"volume_molar": 18.237267237189073,
"formula_full": "Ca1 Hg2",
"formula_reduced": "CaHg2",
"formula_anonymous": "AB2",
"energy": -3.1194455,
"energy_per_atom": -1.0398151666666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.1194455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004903,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.551000Z",
"spacegroup": 164
},
{
"id": "mp-1009650",
"created_at": "2022-09-04T14:44:31.699818Z",
"structure_string": "Rb1 Sb1\n1.0\n0.000000 4.258000 4.258000\n4.258000 0.000000 4.258000\n4.258000 4.258000 0.000000\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 2.2286924759656896,
"density_atomic": 0.012953377689341378,
"volume": 154.399883024,
"volume_molar": 46.49089144490312,
"formula_full": "Rb1 Sb1",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy": -4.30309225,
"energy_per_atom": -2.151546125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.11109225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.138000Z",
"spacegroup": 216
},
{
"id": "mp-1009649",
"created_at": "2022-09-04T14:42:05.833386Z",
"structure_string": "Pr1 N1\n1.0\n1.772543 -3.070134 0.000000\n1.772543 3.070134 0.000000\n0.000000 0.000000 3.222294\nPr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"N"
],
"chemical_system": "N-Pr",
"density": 7.334854065674466,
"density_atomic": 0.05702702642178037,
"volume": 35.07109041961442,
"volume_molar": 10.560152155680276,
"formula_full": "Pr1 N1",
"formula_reduced": "PrN",
"formula_anonymous": "AB",
"energy": -15.33139522,
"energy_per_atom": -7.66569761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.97039522,
"band_gap": 0.0079000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.251000Z",
"spacegroup": 187
},
{
"id": "mp-1009648",
"created_at": "2022-09-04T14:44:28.968832Z",
"structure_string": "Pt1 C1\n1.0\n1.514186 -2.622648 0.000000\n1.514186 2.622648 0.000000\n0.000000 0.000000 2.883999\nPt C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pt",
"C"
],
"chemical_system": "C-Pt",
"density": 15.01321655259429,
"density_atomic": 0.08731435751019134,
"volume": 22.905740327603738,
"volume_molar": 6.897079623241911,
"formula_full": "Pt1 C1",
"formula_reduced": "PtC",
"formula_anonymous": "AB",
"energy": -12.15833244,
"energy_per_atom": -6.07916622,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.15833244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.665000Z",
"spacegroup": 187
}
]
}