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=-formula_anonymous&page=12135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12133",
"results": [
{
"id": "mp-974788",
"created_at": "2022-09-04T14:41:07.926935Z",
"structure_string": "Nd3\n1.0\n9.013033 -1.855996 0.000000\n9.013033 1.855996 0.000000\n8.630839 0.000000 3.191879\nNd\n3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.777290 0.777290 0.777290 Nd\n0.222710 0.222710 0.222710 Nd\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.728800860293036,
"density_atomic": 0.028092917417047204,
"volume": 106.78848178934791,
"volume_molar": 21.436508962738323,
"formula_full": "Nd3",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -14.29629073,
"energy_per_atom": -4.765430243333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.29629073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0462911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.722000Z",
"spacegroup": 166
},
{
"id": "mp-573691",
"created_at": "2022-09-04T14:41:12.425213Z",
"structure_string": "K8\n1.0\n4.480404 -7.407795 0.000000\n4.480404 7.407795 0.000000\n0.000000 0.000000 8.914782\nK\n8\ndirect\n0.778657 0.221343 0.000000 K\n0.721343 0.278657 0.500000 K\n0.681016 0.681016 0.180153 K\n0.278657 0.721343 0.500000 K\n0.181016 0.181016 0.319847 K\n0.818984 0.818984 0.680153 K\n0.221343 0.778657 0.000000 K\n0.318984 0.318984 0.819847 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8777080958565258,
"density_atomic": 0.013518955303085275,
"volume": 591.7617020432232,
"volume_molar": 44.54590332601837,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -8.62728555,
"energy_per_atom": -1.07841069375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.62728555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.889000Z",
"spacegroup": 64
},
{
"id": "mp-1183057",
"created_at": "2022-09-04T14:41:15.153496Z",
"structure_string": "Ac3\n1.0\n2.001328 -3.466402 0.000000\n2.001328 3.466402 0.000000\n0.000000 0.000000 9.803856\nAc\n3\ndirect\n0.655046 0.655046 0.000000 Ac\n0.344954 0.000000 0.333333 Ac\n0.000000 0.344954 0.666667 Ac\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.313273945401516,
"density_atomic": 0.02205449598808345,
"volume": 136.02668597010646,
"volume_molar": 27.30572833427661,
"formula_full": "Ac3",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -12.31676763,
"energy_per_atom": -4.10558921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.31676763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0228007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.599000Z",
"spacegroup": 152
},
{
"id": "mp-982872",
"created_at": "2022-09-04T14:41:09.697362Z",
"structure_string": "Hg1\n1.0\n2.185404 -2.285153 0.000000\n2.185404 2.285153 0.000000\n-0.204050 0.000000 3.155357\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.568974755876773,
"density_atomic": 0.031730322394322705,
"volume": 31.515595321493592,
"volume_molar": 18.979135116123185,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.28320923,
"energy_per_atom": -0.28320923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.28320923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.569000Z",
"spacegroup": 166
},
{
"id": "mp-570747",
"created_at": "2022-09-04T14:41:08.844775Z",
"structure_string": "N4\n1.0\n4.061881 0.000000 0.000000\n0.000000 4.061881 0.000000\n0.000000 0.000000 5.338196\nN\n4\ndirect\n0.903123 0.903123 0.000000 N\n0.596877 0.403123 0.500000 N\n0.096877 0.096877 0.000000 N\n0.403123 0.596877 0.500000 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.0563212303584673,
"density_atomic": 0.04541623036970457,
"volume": 88.074240584006,
"volume_molar": 13.259886853174718,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -33.31661044,
"energy_per_atom": -8.32915261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.31661044,
"band_gap": 6.739,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001172,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.798000Z",
"spacegroup": 136
},
{
"id": "mp-10157",
"created_at": "2022-09-04T14:41:13.641272Z",
"structure_string": "K1\n1.0\n0.000000 3.327867 3.327867\n3.327867 0.000000 3.327867\n3.327867 3.327867 0.000000\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8808036242463018,
"density_atomic": 0.013566634377869216,
"volume": 73.71024914117724,
"volume_molar": 44.38934957828385,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.09807417,
"energy_per_atom": -1.09807417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09807417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.917000Z",
"spacegroup": 225
},
{
"id": "mp-998866",
"created_at": "2022-09-04T14:41:03.656770Z",
"structure_string": "C1\n1.0\n1.776060 0.000000 0.000000\n0.000000 1.776060 0.000000\n0.000000 0.000000 1.776060\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5599550713415904,
"density_atomic": 0.1784954294612604,
"volume": 5.602384346861016,
"volume_molar": 3.3738347128417705,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -6.47199271,
"energy_per_atom": -6.47199271,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.47199271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.269000Z",
"spacegroup": 221
},
{
"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-1018122",
"created_at": "2022-09-04T14:47:14.980628Z",
"structure_string": "Tm3\n1.0\n8.477536 -1.755817 0.000000\n8.477536 1.755817 0.000000\n8.113881 0.000000 3.019344\nTm\n3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.778010 0.778010 0.778010 Tm\n0.221990 0.221990 0.221990 Tm\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.362600091003332,
"density_atomic": 0.033375652952173276,
"volume": 89.88588191215158,
"volume_molar": 18.043514440390492,
"formula_full": "Tm3",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -13.427506270000002,
"energy_per_atom": -4.475835423333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.427506270000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.333000Z",
"spacegroup": 166
},
{
"id": "mp-1246134",
"created_at": "2022-09-04T14:47:14.470580Z",
"structure_string": "Ni1\n1.0\n0.000000 0.000000 -2.338222\n-1.199048 -2.076812 0.000000\n-1.199048 2.076812 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.369294959089133,
"density_atomic": 0.0858717885196815,
"volume": 11.645268105377864,
"volume_molar": 7.012944371852401,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -5.37022588,
"energy_per_atom": -5.37022588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37022588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4577781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.220000Z",
"spacegroup": 191
},
{
"id": "mp-56",
"created_at": "2022-09-04T14:47:09.513897Z",
"structure_string": "Ba2\n1.0\n2.239279 -3.878544 0.000000\n2.239279 3.878544 0.000000\n0.000000 0.000000 7.352020\nBa\n2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.571259596639392,
"density_atomic": 0.01566088823676005,
"volume": 127.70667728191151,
"volume_molar": 38.45337932917826,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -3.80600479,
"energy_per_atom": -1.903002395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.80600479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.281000Z",
"spacegroup": 194
}
]
}