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=22",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=20",
"results": [
{
"id": "mp-133",
"created_at": "2022-09-04T14:47:11.212721Z",
"structure_string": "Sb1\n1.0\n3.102692 0.000000 0.000000\n0.000000 3.102692 0.000000\n0.000000 0.000000 3.102692\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.7692061319205505,
"density_atomic": 0.03347988844774001,
"volume": 29.868677775343752,
"volume_molar": 17.987338187820377,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -4.07843691,
"energy_per_atom": -4.07843691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.07843691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003096,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.716000Z",
"spacegroup": 221
},
{
"id": "mp-158",
"created_at": "2022-09-04T14:48:30.749545Z",
"structure_string": "As4\n1.0\n1.853260 -5.720603 0.000000\n1.853260 5.720603 0.000000\n0.000000 0.000000 4.686427\nAs\n4\ndirect\n0.105928 0.894072 0.068630 As\n0.894072 0.105928 0.931370 As\n0.394072 0.605928 0.568630 As\n0.605928 0.394072 0.431370 As\n",
"nsites": 4,
"nelements": 1,
"elements": [
"As"
],
"chemical_system": "As",
"density": 5.008020735577857,
"density_atomic": 0.040254086684041596,
"volume": 99.36879282335742,
"volume_molar": 14.960321438338406,
"formula_full": "As4",
"formula_reduced": "As",
"formula_anonymous": "A",
"energy": -18.53912991,
"energy_per_atom": -4.6347824775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.53912991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:54.983000Z",
"spacegroup": 64
},
{
"id": "mp-109",
"created_at": "2022-09-04T14:47:15.508645Z",
"structure_string": "Si4\n1.0\n0.000000 2.672685 4.663443\n2.457374 0.000000 4.663443\n2.457374 2.672685 0.000000\nSi\n4\ndirect\n0.728640 0.271360 0.728640 Si\n0.271360 0.728640 0.271360 Si\n0.778683 0.778683 0.221317 Si\n0.221317 0.221317 0.778683 Si\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.045338303545288,
"density_atomic": 0.0652986627694257,
"volume": 61.25699716277941,
"volume_molar": 9.222456486229456,
"formula_full": "Si4",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -20.51879453,
"energy_per_atom": -5.1296986325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.51879453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.267000Z",
"spacegroup": 69
},
{
"id": "mp-1079020",
"created_at": "2022-09-04T14:47:15.836084Z",
"structure_string": "Ge8\n1.0\n3.007580 -4.433182 0.000000\n3.007580 4.433182 0.000000\n0.000000 0.000000 5.882045\nGe\n8\ndirect\n0.717993 0.282007 0.500000 Ge\n0.217993 0.782007 0.000000 Ge\n0.282007 0.717993 0.500000 Ge\n0.782007 0.217993 0.000000 Ge\n0.331168 0.331168 0.829096 Ge\n0.668832 0.668832 0.170904 Ge\n0.168832 0.168832 0.329096 Ge\n0.831168 0.831168 0.670904 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.152106319155599,
"density_atomic": 0.05100337312395896,
"volume": 156.8523709315606,
"volume_molar": 11.807338203619878,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -34.47429677,
"energy_per_atom": -4.30928709625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.47429677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034514,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.026000Z",
"spacegroup": 64
},
{
"id": "mp-10740",
"created_at": "2022-09-04T14:47:20.744302Z",
"structure_string": "Pa1\n1.0\n0.000000 2.327266 2.327266\n2.327266 0.000000 2.327266\n2.327266 2.327266 0.000000\nPa\n1\ndirect\n0.000000 0.000000 0.000000 Pa\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pa"
],
"chemical_system": "Pa",
"density": 15.218100883730594,
"density_atomic": 0.03966723508633239,
"volume": 25.20972278061691,
"volume_molar": 15.181649910545364,
"formula_full": "Pa1",
"formula_reduced": "Pa",
"formula_anonymous": "A",
"energy": -9.51466466,
"energy_per_atom": -9.51466466,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.51466466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.828000Z",
"spacegroup": 225
},
{
"id": "mp-754417",
"created_at": "2022-09-04T14:47:20.839352Z",
"structure_string": "H1\n1.0\n1.425318 -2.468723 0.000000\n1.425318 2.468723 0.000000\n0.000000 0.000000 0.984187\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24165290766723713,
"density_atomic": 0.14438040216067372,
"volume": 6.926147766835766,
"volume_molar": 4.171023677644464,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.01370105,
"energy_per_atom": -3.01370105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01370105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.507000Z",
"spacegroup": 191
},
{
"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
},
{
"id": "mp-20372",
"created_at": "2022-09-04T14:47:30.695101Z",
"structure_string": "Ce4\n1.0\n1.684737 -2.918049 0.000000\n1.684737 2.918049 0.000000\n0.000000 0.000000 11.173904\nCe\n4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.250000 Ce\n0.000000 0.000000 0.500000 Ce\n0.666667 0.333333 0.750000 Ce\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.471048998049655,
"density_atomic": 0.03640829703156048,
"volume": 109.86506719972664,
"volume_molar": 16.540572482090322,
"formula_full": "Ce4",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -23.56100087,
"energy_per_atom": -5.8902502175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.56100087,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115255,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.910000Z",
"spacegroup": 194
},
{
"id": "mp-10649",
"created_at": "2022-09-04T14:47:55.765775Z",
"structure_string": "Si2\n1.0\n1.319711 -2.285806 0.000000\n1.319711 2.285806 0.000000\n0.000000 0.000000 4.764104\nSi\n2\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.245127904432418,
"density_atomic": 0.06958258543180416,
"volume": 28.742823906135836,
"volume_molar": 8.654666570132152,
"formula_full": "Si2",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -9.82473078,
"energy_per_atom": -4.91236539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.82473078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.532000Z",
"spacegroup": 194
},
{
"id": "mp-10617",
"created_at": "2022-09-04T14:47:56.399157Z",
"structure_string": "Sr2\n1.0\n-3.726228 3.726228 1.999494\n3.726228 -3.726228 1.999494\n3.726228 3.726228 -1.999494\nSr\n2\ndirect\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.6203746873220624,
"density_atomic": 0.018009889541711673,
"volume": 111.05009807905344,
"volume_molar": 33.437966102193265,
"formula_full": "Sr2",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -2.86168915,
"energy_per_atom": -1.430844575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.86168915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074674,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.981000Z",
"spacegroup": 141
},
{
"id": "mp-570002",
"created_at": "2022-09-04T14:48:03.128865Z",
"structure_string": "C8\n1.0\n-2.438465 2.438465 2.438465\n2.438465 -2.438465 2.438465\n2.438465 2.438465 -2.438465\nC\n8\ndirect\n0.325233 0.000000 0.000000 C\n0.674767 0.674767 0.674767 C\n0.000000 0.325233 0.000000 C\n0.000000 0.000000 0.325233 C\n0.000000 0.674767 0.000000 C\n0.325233 0.325233 0.325233 C\n0.674767 0.000000 0.000000 C\n0.000000 0.000000 0.674767 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.751045879921811,
"density_atomic": 0.13793688570884688,
"volume": 57.99753966380077,
"volume_molar": 4.365866844863641,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -67.70499972,
"energy_per_atom": -8.463124965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.70499972,
"band_gap": 3.0059000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001004,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.443000Z",
"spacegroup": 229
},
{
"id": "mp-567379",
"created_at": "2022-09-04T14:48:18.633598Z",
"structure_string": "Bi4\n1.0\n4.658632 0.000000 0.000000\n0.000000 4.656154 0.000000\n0.000000 0.059357 6.456472\nBi\n4\ndirect\n0.250000 0.173683 0.236153 Bi\n0.250000 0.302467 0.734197 Bi\n0.750000 0.697533 0.265803 Bi\n0.750000 0.826317 0.763847 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.9113686866849,
"density_atomic": 0.02856136622195172,
"volume": 140.0493228830796,
"volume_molar": 21.08491839361486,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -15.31059097,
"energy_per_atom": -3.8276477425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.31059097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:00.673000Z",
"spacegroup": 11
}
]
}