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=-nelements&page=12147",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12145",
"results": [
{
"id": "mp-1184657",
"created_at": "2022-09-04T14:42:53.907978Z",
"structure_string": "Hg8\n1.0\n6.304307 0.000000 0.000000\n0.000000 6.304307 0.000000\n0.000000 0.000000 6.304307\nHg\n8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.250000 0.000000 Hg\n0.500000 0.750000 0.000000 Hg\n0.000000 0.500000 0.250000 Hg\n0.250000 0.000000 0.500000 Hg\n0.750000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.750000 Hg\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.634970792149755,
"density_atomic": 0.031928456608478595,
"volume": 250.560185169602,
"volume_molar": 18.861358799287597,
"formula_full": "Hg8",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -2.38875985,
"energy_per_atom": -0.29859498125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.38875985,
"band_gap": 0.5904,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.511000Z",
"spacegroup": 223
},
{
"id": "mp-982370",
"created_at": "2022-09-04T14:42:51.246465Z",
"structure_string": "Na4\n1.0\n1.864946 -3.230182 0.000000\n1.864946 3.230182 0.000000\n0.000000 0.000000 11.964779\nNa\n4\ndirect\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.750000 Na\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0592921911493403,
"density_atomic": 0.027748023938736415,
"volume": 144.1544092952859,
"volume_molar": 21.702953598771604,
"formula_full": "Na4",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -5.24271159,
"energy_per_atom": -1.3106778975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.24271159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.136000Z",
"spacegroup": 194
},
{
"id": "mp-582819",
"created_at": "2022-09-04T14:42:58.453356Z",
"structure_string": "Pu8\n1.0\n3.059625 -5.299425 0.000000\n3.059625 5.299425 0.000000\n0.000000 0.000000 5.182756\nPu\n8\ndirect\n0.737358 0.657256 0.750000 Pu\n0.342744 0.080103 0.750000 Pu\n0.080103 0.737358 0.250000 Pu\n0.657256 0.919897 0.250000 Pu\n0.919897 0.262642 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.262642 0.342744 0.250000 Pu\n0.333333 0.666667 0.750000 Pu\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 19.285957305362466,
"density_atomic": 0.04759948755097521,
"volume": 168.06903627759954,
"volume_molar": 12.651692423265635,
"formula_full": "Pu8",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -113.28428353,
"energy_per_atom": -14.16053544125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.28428353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.1501701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.908000Z",
"spacegroup": 176
},
{
"id": "mp-1197206",
"created_at": "2022-09-04T14:42:49.835794Z",
"structure_string": "U32\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-22.761924 0.000000 0.000000\nU\n32\ndirect\n0.000000 0.215704 0.500000 U\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.500000 U\n0.000000 0.784296 0.000000 U\n0.989198 0.281920 0.750000 U\n0.010802 0.281920 0.250000 U\n0.010802 0.718080 0.250000 U\n0.989198 0.718080 0.750000 U\n0.496094 0.283089 0.561302 U\n0.503906 0.283089 0.438698 U\n0.496094 0.283089 0.938698 U\n0.503906 0.283089 0.061302 U\n0.503906 0.716911 0.438698 U\n0.496094 0.716911 0.561302 U\n0.503906 0.716911 0.061302 U\n0.496094 0.716911 0.938698 U\n0.992340 0.222753 0.624313 U\n0.007660 0.222753 0.375687 U\n0.992340 0.222753 0.875687 U\n0.007660 0.222753 0.124313 U\n0.007660 0.777247 0.375687 U\n0.992340 0.777247 0.624313 U\n0.007660 0.777247 0.124313 U\n0.992340 0.777247 0.875687 U\n0.489469 0.223072 0.688054 U\n0.510531 0.223072 0.311946 U\n0.489469 0.223072 0.811946 U\n0.510531 0.223072 0.188054 U\n0.510531 0.776928 0.311946 U\n0.489469 0.776928 0.688054 U\n0.510531 0.776928 0.188054 U\n0.489469 0.776928 0.811946 U\n",
"nsites": 32,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 676.1132893533311,
"volume_molar": 12.723904369351153,
"formula_full": "U32",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -349.9526744,
"energy_per_atom": -10.936021075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -349.9526744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038817,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.165000Z",
"spacegroup": 51
},
{
"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-1010136",
"created_at": "2022-09-04T14:44:11.209318Z",
"structure_string": "Cu1\n1.0\n-1.468820 1.468820 1.376023\n1.468820 -1.468820 1.376023\n1.468820 1.468820 -1.376023\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.886167119132644,
"density_atomic": 0.08421261641455588,
"volume": 11.874705270731301,
"volume_molar": 7.15111466238578,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -4.06349831,
"energy_per_atom": -4.06349831,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.06349831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.242000Z",
"spacegroup": 139
},
{
"id": "mp-569688",
"created_at": "2022-09-04T14:42:53.205346Z",
"structure_string": "Rb26\n1.0\n5.816474 -8.281877 0.000000\n5.816474 8.281877 0.000000\n0.000000 0.000000 25.505855\nRb\n26\ndirect\n0.412627 0.600965 0.927459 Rb\n0.600965 0.412627 0.072541 Rb\n0.175394 0.960455 0.393396 Rb\n0.089770 0.910230 0.750000 Rb\n0.429080 0.142106 0.232765 Rb\n0.824606 0.039545 0.893396 Rb\n0.039545 0.824606 0.106604 Rb\n0.706670 0.972475 0.456131 Rb\n0.972475 0.706670 0.543869 Rb\n0.027525 0.293330 0.043869 Rb\n0.857894 0.570920 0.267235 Rb\n0.399035 0.587373 0.572541 Rb\n0.417595 0.093377 0.588785 Rb\n0.484459 0.740157 0.316926 Rb\n0.570920 0.857894 0.732765 Rb\n0.515541 0.259843 0.816926 Rb\n0.259843 0.515541 0.183074 Rb\n0.093377 0.417595 0.411215 Rb\n0.910230 0.089770 0.250000 Rb\n0.587373 0.399035 0.427459 Rb\n0.142106 0.429080 0.767235 Rb\n0.960455 0.175394 0.606604 Rb\n0.740157 0.484459 0.683074 Rb\n0.582405 0.906623 0.088785 Rb\n0.293330 0.027525 0.956131 Rb\n0.906623 0.582405 0.911215 Rb\n",
"nsites": 26,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5016423955084406,
"density_atomic": 0.010580712127913113,
"volume": 2457.3015205100482,
"volume_molar": 56.91621402412899,
"formula_full": "Rb26",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -23.88002147,
"energy_per_atom": -0.9184623642307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.88002147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1366515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.216000Z",
"spacegroup": 20
},
{
"id": "mp-1055423",
"created_at": "2022-09-04T14:42:49.865549Z",
"structure_string": "Pu4\n1.0\n-0.018661 0.198357 3.522173\n4.535293 -0.273562 -0.014382\n1.969982 4.375312 0.246116\nPu\n4\ndirect\n0.857106 0.340361 0.247748 Pu\n0.581779 0.841192 0.251814 Pu\n0.418545 0.158791 0.748301 Pu\n0.142573 0.659657 0.752137 Pu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.647044571012607,
"density_atomic": 0.05589495502121435,
"volume": 71.56280917449243,
"volume_molar": 10.774032750745322,
"formula_full": "Pu4",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -56.71455862,
"energy_per_atom": -14.178639655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.71455862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.550000Z",
"spacegroup": 2
},
{
"id": "mp-70",
"created_at": "2022-09-04T14:42:59.888532Z",
"structure_string": "Rb1\n1.0\n-2.822078 2.822078 2.822078\n2.822078 -2.822078 2.822078\n2.822078 2.822078 -2.822078\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.578645412106472,
"density_atomic": 0.011123282552164366,
"volume": 89.90151920625446,
"volume_molar": 54.13996031979079,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.9713216,
"energy_per_atom": -0.9713216,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.9713216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.439000Z",
"spacegroup": 229
},
{
"id": "mp-568286",
"created_at": "2022-09-04T14:42:56.678366Z",
"structure_string": "C4\n1.0\n1.233681 -2.137262 0.000000\n1.233681 2.137262 0.000000\n0.000000 0.000000 8.028328\nC\n4\ndirect\n0.583421 0.416579 0.760058 C\n0.083421 0.916579 0.239942 C\n0.416579 0.583421 0.239942 C\n0.916579 0.083421 0.760058 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8843504024722024,
"density_atomic": 0.09448094922670469,
"volume": 42.336577190837694,
"volume_molar": 6.37392067849575,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.88190665,
"energy_per_atom": -9.2204766625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.88190665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.781000Z",
"spacegroup": 67
},
{
"id": "mp-81",
"created_at": "2022-09-04T14:39:13.991322Z",
"structure_string": "Au1\n1.0\n0.000000 2.085644 2.085644\n2.085644 0.000000 2.085644\n2.085644 2.085644 0.000000\nAu\n1\ndirect\n0.000000 0.000000 0.000000 Au\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Au"
],
"chemical_system": "Au",
"density": 18.02565607297311,
"density_atomic": 0.05511241768155413,
"volume": 18.144731116281537,
"volume_molar": 10.927012483459935,
"formula_full": "Au1",
"formula_reduced": "Au",
"formula_anonymous": "A",
"energy": -3.27388154,
"energy_per_atom": -3.27388154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27388154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.101000Z",
"spacegroup": 225
},
{
"id": "mp-99",
"created_at": "2022-09-04T14:39:13.064391Z",
"structure_string": "Er2\n1.0\n1.793652 -3.106697 0.000000\n1.793652 3.106697 0.000000\n0.000000 0.000000 5.545683\nEr\n2\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 8.987656551709964,
"density_atomic": 0.03235995245436004,
"volume": 61.804787965024616,
"volume_molar": 18.60985663836661,
"formula_full": "Er2",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -9.12207932,
"energy_per_atom": -4.56103966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.12207932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5174163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.120000Z",
"spacegroup": 194
}
]
}