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=12128",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12126",
"results": [
{
"id": "mp-1008965",
"created_at": "2022-09-04T14:42:49.443606Z",
"structure_string": "Cd1 N1\n1.0\n1.669472 -2.891611 0.000000\n1.669472 2.891611 0.000000\n0.000000 0.000000 2.975371\nCd N\n1 1\ndirect\n0.666667 0.333333 0.000000 Cd\n0.000000 0.000000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"N"
],
"chemical_system": "Cd-N",
"density": 7.307466834424701,
"density_atomic": 0.06962093740219116,
"volume": 28.726990394373153,
"volume_molar": 8.649898988304153,
"formula_full": "Cd1 N1",
"formula_reduced": "CdN",
"formula_anonymous": "AB",
"energy": -7.26954896,
"energy_per_atom": -3.63477448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.90854896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9861325,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.442000Z",
"spacegroup": 187
},
{
"id": "mp-1132",
"created_at": "2022-09-04T14:42:57.584763Z",
"structure_string": "Cd1 O1\n1.0\n0.000000 2.391850 2.391850\n2.391850 0.000000 2.391850\n2.391850 2.391850 0.000000\nCd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 7.791435499806187,
"density_atomic": 0.07307993950413479,
"volume": 27.367291401313242,
"volume_molar": 8.2404840519323,
"formula_full": "Cd1 O1",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy": -8.60027389,
"energy_per_atom": -4.300136945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.91327389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.413000Z",
"spacegroup": 225
},
{
"id": "mp-1058151",
"created_at": "2022-09-04T14:42:58.032424Z",
"structure_string": "N1 Cl1\n1.0\n2.905411 0.000000 0.000000\n0.000000 2.905411 0.000000\n0.000000 0.000000 2.905411\nN Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 3.348712366119955,
"density_atomic": 0.08154686437845805,
"volume": 24.525774415040942,
"volume_molar": 7.384883288769161,
"formula_full": "N1 Cl1",
"formula_reduced": "NCl",
"formula_anonymous": "AB",
"energy": -4.75117089,
"energy_per_atom": -2.375585445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.13717089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3367208,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.559000Z",
"spacegroup": 221
},
{
"id": "mp-20997",
"created_at": "2022-09-04T14:44:30.034042Z",
"structure_string": "In1 Ni1\n1.0\n3.147263 0.000000 0.000000\n0.000000 3.147263 0.000000\n0.000000 0.000000 3.147263\nIn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.242256197912074,
"density_atomic": 0.06415505584421913,
"volume": 31.174472123543723,
"volume_molar": 9.38685296233382,
"formula_full": "In1 Ni1",
"formula_reduced": "InNi",
"formula_anonymous": "AB",
"energy": -8.69687794,
"energy_per_atom": -4.34843897,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.69687794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006807,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.159000Z",
"spacegroup": 221
},
{
"id": "mp-1479",
"created_at": "2022-09-04T14:42:52.777996Z",
"structure_string": "B1 P1\n1.0\n0.000000 2.273408 2.273408\n2.273408 0.000000 2.273408\n2.273408 2.273408 0.000000\nB P\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"P"
],
"chemical_system": "B-P",
"density": 2.9526018183160376,
"density_atomic": 0.08510750289436064,
"volume": 23.499690767363862,
"volume_molar": 7.07592228087688,
"formula_full": "B1 P1",
"formula_reduced": "BP",
"formula_anonymous": "AB",
"energy": -12.90766891,
"energy_per_atom": -6.453834455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.90766891,
"band_gap": 1.2434999999999992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.966000Z",
"spacegroup": 216
},
{
"id": "mp-1953",
"created_at": "2022-09-04T14:44:01.396480Z",
"structure_string": "Ti1 Al1\n1.0\n2.824105 0.000000 0.000000\n0.000000 2.824105 0.000000\n0.000000 0.000000 4.064712\nTi Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.8339016130398575,
"density_atomic": 0.06169337601922369,
"volume": 32.41839122852993,
"volume_molar": 9.761405759547829,
"formula_full": "Ti1 Al1",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy": -12.45495691,
"energy_per_atom": -6.227478455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.45495691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031736,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.181000Z",
"spacegroup": 123
},
{
"id": "mp-1120769",
"created_at": "2022-09-04T14:42:52.991527Z",
"structure_string": "Ru1 Pt1\n1.0\n2.746328 0.000000 0.000000\n0.000000 2.746328 0.000000\n0.000000 0.000000 3.914874\nRu Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ru",
"Pt"
],
"chemical_system": "Pt-Ru",
"density": 16.654979478482073,
"density_atomic": 0.06773410510004356,
"volume": 29.527222616228435,
"volume_molar": 8.890854542339156,
"formula_full": "Ru1 Pt1",
"formula_reduced": "RuPt",
"formula_anonymous": "AB",
"energy": -15.19390514,
"energy_per_atom": -7.59695257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.19390514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202108,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.133000Z",
"spacegroup": 123
},
{
"id": "mp-21215",
"created_at": "2022-09-04T14:42:57.308583Z",
"structure_string": "In1 Pd1\n1.0\n3.309616 0.000000 0.000000\n0.000000 3.309616 0.000000\n0.000000 0.000000 3.309616\nIn Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Pd"
],
"chemical_system": "In-Pd",
"density": 10.133885637642187,
"density_atomic": 0.05516926185981926,
"volume": 36.25207103698146,
"volume_molar": 10.915753731311076,
"formula_full": "In1 Pd1",
"formula_reduced": "InPd",
"formula_anonymous": "AB",
"energy": -8.92246151,
"energy_per_atom": -4.461230755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.92246151,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.623000Z",
"spacegroup": 221
},
{
"id": "mp-1059357",
"created_at": "2022-09-04T14:42:53.177443Z",
"structure_string": "Na1 Se1\n1.0\n0.000000 2.993261 2.993261\n2.993261 0.000000 2.993261\n2.993261 2.993261 0.000000\nNa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 3.1562513959596097,
"density_atomic": 0.03728775517829953,
"volume": 53.63691084208647,
"volume_molar": 16.150451351130744,
"formula_full": "Na1 Se1",
"formula_reduced": "NaSe",
"formula_anonymous": "AB",
"energy": -6.125347140000001,
"energy_per_atom": -3.0626735700000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.65334714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000416,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.554000Z",
"spacegroup": 225
},
{
"id": "mp-1096851",
"created_at": "2022-09-04T14:42:53.607398Z",
"structure_string": "Bi2\n1.0\n3.174595 0.000000 0.000000\n0.000000 3.464599 0.000000\n0.000000 0.000000 6.466649\nBi\n2\ndirect\n0.102802 0.000000 0.250000 Bi\n0.897198 0.000000 0.750000 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.75807286887985,
"density_atomic": 0.02811961714258334,
"volume": 71.12472370654264,
"volume_molar": 21.416154883845433,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -7.58197212,
"energy_per_atom": -3.79098606,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.58197212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.504000Z",
"spacegroup": 51
},
{
"id": "mp-1009537",
"created_at": "2022-09-04T14:42:57.189925Z",
"structure_string": "Os1 C1\n1.0\n2.697561 0.000000 0.000000\n0.000000 2.697561 0.000000\n0.000000 0.000000 2.697561\nOs C\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 17.1081809371033,
"density_atomic": 0.10188638962027821,
"volume": 19.629707240131165,
"volume_molar": 5.91064300388305,
"formula_full": "Os1 C1",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy": -17.49700042,
"energy_per_atom": -8.74850021,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.49700042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.884000Z",
"spacegroup": 221
},
{
"id": "mp-1094974",
"created_at": "2022-09-04T14:42:58.463862Z",
"structure_string": "Mg1 Zr1\n1.0\n3.156415 0.000000 0.000000\n0.000000 3.156415 0.000000\n0.000000 0.000000 4.460166\nMg Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zr"
],
"chemical_system": "Mg-Zr",
"density": 4.3171873092633275,
"density_atomic": 0.04500810995101491,
"volume": 44.43643605956177,
"volume_molar": 13.380123641171036,
"formula_full": "Mg1 Zr1",
"formula_reduced": "MgZr",
"formula_anonymous": "AB",
"energy": -9.99492193,
"energy_per_atom": -4.997460965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.99492193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.912000Z",
"spacegroup": 123
}
]
}