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=14",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12",
"results": [
{
"id": "mp-1067880",
"created_at": "2022-09-04T14:40:09.003521Z",
"structure_string": "Ga4\n1.0\n2.338073 -3.916018 0.000000\n2.338073 3.916018 0.000000\n0.000000 0.000000 4.608197\nGa\n4\ndirect\n0.335333 0.011562 0.250000 Ga\n0.988438 0.664667 0.750000 Ga\n0.664667 0.988438 0.750000 Ga\n0.011562 0.335333 0.250000 Ga\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 5.488091905338511,
"density_atomic": 0.04740195053165599,
"volume": 84.38471318450743,
"volume_molar": 12.70441551973329,
"formula_full": "Ga4",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -12.09309103,
"energy_per_atom": -3.0232727575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.09309103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.008000Z",
"spacegroup": 63
},
{
"id": "mp-1983234",
"created_at": "2022-09-04T14:39:14.970650Z",
"structure_string": "U16\n1.0\n0.000000 0.000000 -5.061156\n0.000000 -5.868955 0.000000\n-11.380962 0.000000 0.000000\nU\n16\ndirect\n0.000000 0.215704 0.000000 U\n0.000000 0.784296 0.000000 U\n0.000000 0.281920 0.500000 U\n0.000000 0.718080 0.500000 U\n0.500000 0.283089 0.122605 U\n0.500000 0.283089 0.877395 U\n0.500000 0.716911 0.877395 U\n0.500000 0.716911 0.122605 U\n0.000000 0.222753 0.248627 U\n0.000000 0.222753 0.751373 U\n0.000000 0.777247 0.751373 U\n0.000000 0.777247 0.248627 U\n0.500000 0.223072 0.376107 U\n0.500000 0.223072 0.623893 U\n0.500000 0.776928 0.623893 U\n0.500000 0.776928 0.376107 U\n",
"nsites": 16,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.707222485190716,
"density_atomic": 0.047329346285452274,
"volume": 338.05664467666554,
"volume_molar": 12.723904369351153,
"formula_full": "U16",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -174.9898787,
"energy_per_atom": -10.93686741875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.9898787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0739257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.421000Z",
"spacegroup": 47
},
{
"id": "mp-1009460",
"created_at": "2022-09-04T14:42:17.080322Z",
"structure_string": "Hf3\n1.0\n2.501815 -4.333271 0.000000\n2.501815 4.333271 0.000000\n0.000000 0.000000 3.087349\nHf\n3\ndirect\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hf"
],
"chemical_system": "Hf",
"density": 13.283039920168068,
"density_atomic": 0.0448161444045016,
"volume": 66.94016274409054,
"volume_molar": 13.437436084740705,
"formula_full": "Hf3",
"formula_reduced": "Hf",
"formula_anonymous": "A",
"energy": -29.736056940000005,
"energy_per_atom": -9.912018980000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.736056940000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.910000Z",
"spacegroup": 191
},
{
"id": "mp-611836",
"created_at": "2022-09-04T14:39:49.289164Z",
"structure_string": "O2\n1.0\n1.766737 2.797827 0.000000\n-1.766737 2.797827 0.000000\n0.000000 2.076469 3.735489\nO\n2\ndirect\n0.951806 0.951806 0.163979 O\n0.048194 0.048194 0.836021 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.4388402246389522,
"density_atomic": 0.054157645704965146,
"volume": 36.92922714726946,
"volume_molar": 11.119650201943497,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.87598179,
"energy_per_atom": -4.937990895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.87598179,
"band_gap": 1.3523000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996063,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.345000Z",
"spacegroup": 12
},
{
"id": "mp-1018134",
"created_at": "2022-09-04T14:41:05.374532Z",
"structure_string": "Li3\n1.0\n7.474568 -1.531883 0.000000\n7.474568 1.531883 0.000000\n7.160615 0.000000 2.634659\nLi\n3\ndirect\n0.777946 0.777946 0.777946 Li\n0.222054 0.222054 0.222054 Li\n0.000000 0.000000 0.000000 Li\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5730945704730711,
"density_atomic": 0.04972275138125996,
"volume": 60.33455343202653,
"volume_molar": 12.111439115313496,
"formula_full": "Li3",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -5.7267686,
"energy_per_atom": -1.9089228666666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.7267686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.064000Z",
"spacegroup": 166
},
{
"id": "mp-971769",
"created_at": "2022-09-04T14:42:51.133342Z",
"structure_string": "Tm4\n1.0\n1.752383 -3.035216 0.000000\n1.752383 3.035216 0.000000\n0.000000 0.000000 11.301223\nTm\n4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.250000 Tm\n0.000000 0.000000 0.500000 Tm\n0.666667 0.333333 0.750000 Tm\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.333673812679399,
"density_atomic": 0.033272536999643665,
"volume": 120.21926671966247,
"volume_molar": 18.099433656244774,
"formula_full": "Tm4",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -17.86104114,
"energy_per_atom": -4.465260285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.86104114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.642000Z",
"spacegroup": 194
},
{
"id": "mp-850274",
"created_at": "2022-09-04T14:41:05.696555Z",
"structure_string": "H2\n1.0\n-1.820480 1.820480 1.719522\n1.820480 -1.820480 1.719522\n1.820480 1.820480 -1.719522\nH\n2\ndirect\n0.109061 0.109061 0.000000 H\n0.890939 0.890939 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1468500914916668,
"density_atomic": 0.08773854811668441,
"volume": 22.794997671265076,
"volume_molar": 6.8637342300115245,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.77839157,
"energy_per_atom": -3.389195785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.77839157,
"band_gap": 8.5338,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.080000Z",
"spacegroup": 139
},
{
"id": "mp-1056579",
"created_at": "2022-09-04T14:41:14.434353Z",
"structure_string": "Si1\n1.0\n-1.676685 1.676685 1.287674\n1.676685 -1.676685 1.287674\n1.676685 1.676685 -1.287674\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.2207897928434908,
"density_atomic": 0.06906072349638641,
"volume": 14.480010480230849,
"volume_molar": 8.720066131822538,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.93955162,
"energy_per_atom": -4.93955162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93955162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.336000Z",
"spacegroup": 139
},
{
"id": "mp-972351",
"created_at": "2022-09-04T14:39:10.989706Z",
"structure_string": "Tl3\n1.0\n8.303442 -1.825894 0.000000\n8.303442 1.825894 0.000000\n7.901935 0.000000 3.136951\nTl\n3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.220598 0.220598 0.220598 Tl\n0.779402 0.779402 0.779402 Tl\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.703955888179133,
"density_atomic": 0.03153913703796827,
"volume": 95.11991391484369,
"volume_molar": 19.09418368914238,
"formula_full": "Tl3",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -7.08792944,
"energy_per_atom": -2.3626431466666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.08792944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.817000Z",
"spacegroup": 166
},
{
"id": "mp-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
},
{
"id": "mp-570752",
"created_at": "2022-09-04T14:39:08.729714Z",
"structure_string": "H2\n1.0\n2.565599 -4.443747 0.000000\n2.565599 4.443747 0.000000\n0.000000 0.000000 3.811892\nH\n2\ndirect\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.03851279942818898,
"density_atomic": 0.02301024855629813,
"volume": 86.91779209193203,
"volume_molar": 26.17155892630148,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -2.22412334,
"energy_per_atom": -1.11206167,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.22412334,
"band_gap": 6.6359,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.676000Z",
"spacegroup": 194
},
{
"id": "mp-1096977",
"created_at": "2022-09-04T14:44:29.481562Z",
"structure_string": "H1\n1.0\n2.612964 0.000000 0.000000\n0.000000 2.612964 0.000000\n0.000000 0.000000 0.985799\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24867295324987948,
"density_atomic": 0.14857466993999568,
"volume": 6.730622389427931,
"volume_molar": 4.053275543154253,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.00810299,
"energy_per_atom": -3.00810299,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.00810299,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.914000Z",
"spacegroup": 123
}
]
}