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=density_atomic&page=39",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=37",
"results": [
{
"id": "mp-1096009",
"created_at": "2022-09-04T14:39:41.282917Z",
"structure_string": "Na2 Tl1 Pb1\n1.0\n-6.358477 6.439894 9.075325\n6.358477 -6.439894 9.075325\n6.358477 6.439894 -9.075325\nNa Tl Pb\n2 1 1\ndirect\n0.000000 0.253706 0.253706 Na\n0.000000 0.746294 0.746294 Na\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Pb"
],
"chemical_system": "Na-Pb-Tl",
"density": 0.51114702958938,
"density_atomic": 0.0026909522390361237,
"volume": 1486.462651389445,
"volume_molar": 223.79218302875117,
"formula_full": "Na2 Tl1 Pb1",
"formula_reduced": "Na2TlPb",
"formula_anonymous": "ABC2",
"energy": -4.81971031,
"energy_per_atom": -1.2049275775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.81971031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.206000Z",
"spacegroup": 71
},
{
"id": "mp-1095982",
"created_at": "2022-09-04T14:45:43.240758Z",
"structure_string": "Ca2 Al1 Cd1\n1.0\n-6.283447 6.470863 9.137937\n6.283447 -6.470863 9.137937\n6.283447 6.470863 -9.137937\nCa Al Cd\n2 1 1\ndirect\n0.000000 0.233045 0.233045 Ca\n0.000000 0.766955 0.766955 Ca\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cd"
],
"chemical_system": "Al-Ca-Cd",
"density": 0.24530778772649883,
"density_atomic": 0.002691483235814519,
"volume": 1486.1693904585984,
"volume_molar": 223.74803156362702,
"formula_full": "Ca2 Al1 Cd1",
"formula_reduced": "Ca2AlCd",
"formula_anonymous": "ABC2",
"energy": -3.25701619,
"energy_per_atom": -0.8142540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.25701619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.8897917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.210000Z",
"spacegroup": 71
},
{
"id": "mp-1096239",
"created_at": "2022-09-04T14:39:11.582714Z",
"structure_string": "Ca1 Tl1 Hg2\n1.0\n-6.295745 6.632062 8.891611\n6.295745 -6.632062 8.891611\n6.295745 6.632062 -8.891611\nCa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Tl\n0.746709 0.000000 0.746709 Hg\n0.253291 0.000000 0.253291 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Hg"
],
"chemical_system": "Ca-Hg-Tl",
"density": 0.721945224803408,
"density_atomic": 0.002693542539040438,
"volume": 1485.033164326776,
"volume_molar": 223.5769687211014,
"formula_full": "Ca1 Tl1 Hg2",
"formula_reduced": "CaTlHg2",
"formula_anonymous": "ABC2",
"energy": -1.82999556,
"energy_per_atom": -0.45749889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.82999556,
"band_gap": 0.0013999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9998962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.997000Z",
"spacegroup": 71
},
{
"id": "mp-1095765",
"created_at": "2022-09-04T14:45:17.571688Z",
"structure_string": "Sr1 Li2 Tl1\n1.0\n-6.350709 6.527558 8.953587\n6.350709 -6.527558 8.953587\n6.350709 6.527558 -8.953587\nSr Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.277853 0.000000 0.277853 Li\n0.722147 0.000000 0.722147 Li\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Tl"
],
"chemical_system": "Li-Sr-Tl",
"density": 0.3421194004114633,
"density_atomic": 0.002694200978885388,
"volume": 1484.6702348296344,
"volume_molar": 223.52232840815785,
"formula_full": "Sr1 Li2 Tl1",
"formula_reduced": "SrLi2Tl",
"formula_anonymous": "ABC2",
"energy": -3.59821952,
"energy_per_atom": -0.89955488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.59821952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9987781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.118000Z",
"spacegroup": 71
},
{
"id": "mp-1206274",
"created_at": "2022-09-04T14:45:31.177284Z",
"structure_string": "K1 Nd3 O6\n1.0\n-5.615127 -9.725685 0.000000\n-3.585194 8.553702 0.000000\n0.000000 0.000000 -44.707771\nK Nd O\n1 3 6\ndirect\n-0.000000 -0.000000 0.000000 K\n-0.000000 -0.000000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n-0.000000 0.500000 0.000000 Nd\n-0.000000 -0.000000 0.769131 O\n-0.000000 -0.000000 0.230869 O\n0.714595 0.732369 -0.000000 O\n0.285405 0.267631 0.000000 O\n0.982226 0.267631 0.000000 O\n0.017774 0.732369 -0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Nd",
"O"
],
"chemical_system": "K-Nd-O",
"density": 0.25440764261854915,
"density_atomic": 0.002698173269833473,
"volume": 3706.211202891793,
"volume_molar": 223.193255501033,
"formula_full": "K1 Nd3 O6",
"formula_reduced": "KNd3O6",
"formula_anonymous": "AB3C6",
"energy": -45.88659767,
"energy_per_atom": -4.588659767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.76459767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3620614,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.931000Z",
"spacegroup": 65
},
{
"id": "mp-1093885",
"created_at": "2022-09-04T14:47:09.616965Z",
"structure_string": "La2 Mg1 Zn1\n1.0\n-6.216768 6.495402 9.173490\n6.216768 -6.495402 9.173490\n6.216768 6.495402 -9.173490\nLa Mg Zn\n2 1 1\ndirect\n0.000000 0.265467 0.265467 La\n0.000000 0.734533 0.734533 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Zn"
],
"chemical_system": "La-Mg-Zn",
"density": 0.4118799339629421,
"density_atomic": 0.002699570744125843,
"volume": 1481.7170502769147,
"volume_molar": 223.07771608148943,
"formula_full": "La2 Mg1 Zn1",
"formula_reduced": "La2MgZn",
"formula_anonymous": "ABC2",
"energy": -4.0058063,
"energy_per_atom": -1.001451575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.0058063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.086253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.258000Z",
"spacegroup": 71
},
{
"id": "mp-1097459",
"created_at": "2022-09-04T14:40:31.065063Z",
"structure_string": "Rb2 Au1 Br1\n1.0\n-6.391517 6.398160 9.038464\n6.391517 -6.398160 9.038464\n6.391517 6.398160 -9.038464\nRb Au Br\n2 1 1\ndirect\n0.751434 0.000000 0.751434 Rb\n0.248566 0.000000 0.248566 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Br"
],
"chemical_system": "Au-Br-Rb",
"density": 0.502950797307818,
"density_atomic": 0.002705492427272579,
"volume": 1478.473922040292,
"volume_molar": 222.5894517128976,
"formula_full": "Rb2 Au1 Br1",
"formula_reduced": "Rb2AuBr",
"formula_anonymous": "ABC2",
"energy": -9.81862651,
"energy_per_atom": -2.4546566275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.28462651,
"band_gap": 3.2007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.097000Z",
"spacegroup": 71
},
{
"id": "mp-1093697",
"created_at": "2022-09-04T14:40:17.002776Z",
"structure_string": "La1 Y1 Cd2\n1.0\n-6.332418 6.427821 9.073010\n6.332418 -6.427821 9.073010\n6.332418 6.427821 -9.073010\nLa Y Cd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.249119 0.249119 Cd\n0.000000 0.750881 0.750881 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Cd"
],
"chemical_system": "Cd-La-Y",
"density": 0.5088044353917441,
"density_atomic": 0.002707791755410577,
"volume": 1477.218472213528,
"volume_molar": 222.40043932355036,
"formula_full": "La1 Y1 Cd2",
"formula_reduced": "LaYCd2",
"formula_anonymous": "ABC2",
"energy": -5.19930087,
"energy_per_atom": -1.2998252175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.19930087,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4460921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.241000Z",
"spacegroup": 71
},
{
"id": "mp-1097074",
"created_at": "2022-09-04T14:46:42.829371Z",
"structure_string": "Li1 Ca1 Tl2\n1.0\n-5.939552 6.510142 9.535240\n5.939552 -6.510142 9.535240\n5.939552 6.510142 -9.535240\nLi Ca Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.228377 0.228377 Tl\n0.000000 0.771623 0.771623 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Tl"
],
"chemical_system": "Ca-Li-Tl",
"density": 0.5131849684912838,
"density_atomic": 0.0027122156709107766,
"volume": 1474.8089699875447,
"volume_molar": 222.03768028439026,
"formula_full": "Li1 Ca1 Tl2",
"formula_reduced": "LiCaTl2",
"formula_anonymous": "ABC2",
"energy": -4.19766076,
"energy_per_atom": -1.04941519,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.19766076,
"band_gap": 0.0486999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9994833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.233000Z",
"spacegroup": 71
},
{
"id": "mp-1096508",
"created_at": "2022-09-04T14:41:56.334195Z",
"structure_string": "K2 Hg1 Au1\n1.0\n-6.232290 6.723906 8.798057\n6.232290 -6.723906 8.798057\n6.232290 6.723906 -8.798057\nK Hg Au\n2 1 1\ndirect\n0.228499 0.000000 0.228499 K\n0.771501 0.000000 0.771501 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-K",
"density": 0.5356914781144544,
"density_atomic": 0.0027123388315276093,
"volume": 1474.7420025495746,
"volume_molar": 222.02759810094543,
"formula_full": "K2 Hg1 Au1",
"formula_reduced": "K2HgAu",
"formula_anonymous": "ABC2",
"energy": -4.73742917,
"energy_per_atom": -1.1843572925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.73742917,
"band_gap": 0.1665999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9996847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.437000Z",
"spacegroup": 71
},
{
"id": "mp-1096090",
"created_at": "2022-09-04T14:48:26.878226Z",
"structure_string": "Na1 Tl2 Hg1\n1.0\n-6.121396 6.522159 9.227826\n6.121396 -6.522159 9.227826\n6.121396 6.522159 -9.227826\nNa Tl Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.260110 0.260110 Tl\n0.000000 0.739890 0.739890 Tl\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 0.7125295517690775,
"density_atomic": 0.00271430561879035,
"volume": 1473.6734037277015,
"volume_molar": 221.86671678791316,
"formula_full": "Na1 Tl2 Hg1",
"formula_reduced": "NaTl2Hg",
"formula_anonymous": "ABC2",
"energy": -3.17600187,
"energy_per_atom": -0.7940004675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.17600187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9998662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:39.781000Z",
"spacegroup": 71
},
{
"id": "mp-1093718",
"created_at": "2022-09-04T14:41:17.719580Z",
"structure_string": "Cs2 Au1 Cl1\n1.0\n-6.307598 6.544252 8.921047\n6.307598 -6.544252 8.921047\n6.307598 6.544252 -8.921047\nCs Au Cl\n2 1 1\ndirect\n0.240553 0.000000 0.240553 Cs\n0.759447 0.000000 0.759447 Cs\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs",
"density": 0.561667822068315,
"density_atomic": 0.0027155646799506055,
"volume": 1472.9901406998554,
"volume_molar": 221.76384913466836,
"formula_full": "Cs2 Au1 Cl1",
"formula_reduced": "Cs2AuCl",
"formula_anonymous": "ABC2",
"energy": -10.44771888,
"energy_per_atom": -2.61192972,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.83371888,
"band_gap": 3.119,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.060000Z",
"spacegroup": 71
}
]
}