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=-elements&page=12160",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12158",
"results": [
{
"id": "mp-23",
"created_at": "2022-09-04T14:39:05.691463Z",
"structure_string": "Ni1\n1.0\n0.000000 1.752899 1.752899\n1.752899 0.000000 1.752899\n1.752899 1.752899 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 9.047689544033622,
"density_atomic": 0.09283234572503903,
"volume": 10.772107417838058,
"volume_molar": 6.487114715206092,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -5.78013668,
"energy_per_atom": -5.78013668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.78013668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6058573,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.412000Z",
"spacegroup": 225
},
{
"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-1094136",
"created_at": "2022-09-04T14:41:27.079433Z",
"structure_string": "Ni2\n1.0\n1.191025 -2.062916 0.000000\n1.191025 2.062916 0.000000\n0.000000 0.000000 14.912334\nNi\n2\ndirect\n0.000000 0.000000 0.423977 Ni\n0.000000 0.000000 0.576023 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.6600531942402816,
"density_atomic": 0.02729304277881073,
"volume": 73.2787478555789,
"volume_molar": 22.064746715142213,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.08057028,
"energy_per_atom": -5.04028514,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.08057028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3987403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.253000Z",
"spacegroup": 191
},
{
"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-10257",
"created_at": "2022-09-04T14:44:56.691243Z",
"structure_string": "Ni2\n1.0\n1.237139 -2.142788 0.000000\n1.237139 2.142788 0.000000\n0.000000 0.000000 4.070181\nNi\n2\ndirect\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 9.032894531270559,
"density_atomic": 0.09268054390501164,
"volume": 21.579502188180957,
"volume_molar": 6.497739985397687,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -11.50798865,
"energy_per_atom": -5.753994325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.50798865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2669023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.795000Z",
"spacegroup": 194
},
{
"id": "mp-1008728",
"created_at": "2022-09-04T14:43:12.610249Z",
"structure_string": "Ni1\n1.0\n-1.395106 1.395106 1.395106\n1.395106 -1.395106 1.395106\n1.395106 1.395106 -1.395106\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.973394366451735,
"density_atomic": 0.09207005214971037,
"volume": 10.861295031895404,
"volume_molar": 6.540824751796281,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -5.6845769,
"energy_per_atom": -5.6845769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.6845769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5380801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.370000Z",
"spacegroup": 229
},
{
"id": "mp-111",
"created_at": "2022-09-04T14:39:18.736271Z",
"structure_string": "Ne1\n1.0\n0.000000 2.151913 2.151913\n2.151913 0.000000 2.151913\n2.151913 2.151913 0.000000\nNe\n1\ndirect\n0.000000 0.000000 0.000000 Ne\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ne"
],
"chemical_system": "Ne",
"density": 1.6813560067118354,
"density_atomic": 0.05017598152395371,
"volume": 19.92985427744161,
"volume_molar": 12.002038778504145,
"formula_full": "Ne1",
"formula_reduced": "Ne",
"formula_anonymous": "A",
"energy": -0.02593678,
"energy_per_atom": -0.02593678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.02593678,
"band_gap": 11.6041,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.586000Z",
"spacegroup": 225
},
{
"id": "mp-159",
"created_at": "2022-09-04T14:47:11.827059Z",
"structure_string": "Nd1\n1.0\n0.000000 2.607924 2.607924\n2.607924 0.000000 2.607924\n2.607924 2.607924 0.000000\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.751900663186124,
"density_atomic": 0.028189359690863777,
"volume": 35.47437795559797,
"volume_molar": 21.3631697422052,
"formula_full": "Nd1",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -4.75913303,
"energy_per_atom": -4.75913303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.75913303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.223000Z",
"spacegroup": 225
},
{
"id": "mp-4",
"created_at": "2022-09-04T14:45:56.396145Z",
"structure_string": "Nd1\n1.0\n-2.066667 2.066667 2.066667\n2.066667 -2.066667 2.066667\n2.066667 2.066667 -2.066667\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.783742073945273,
"density_atomic": 0.028322298403343386,
"volume": 35.307868936299045,
"volume_molar": 21.262895667002432,
"formula_full": "Nd1",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -4.62818377,
"energy_per_atom": -4.62818377,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.62818377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5567615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.846000Z",
"spacegroup": 229
},
{
"id": "mp-123",
"created_at": "2022-09-04T14:45:43.137821Z",
"structure_string": "Nd4\n1.0\n1.853540 -3.210425 0.000000\n1.853540 3.210425 0.000000\n0.000000 0.000000 11.910868\nNd\n4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.758696200879876,
"density_atomic": 0.02821773123628453,
"volume": 141.75484083059422,
"volume_molar": 21.341690122330842,
"formula_full": "Nd4",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -19.07257284,
"energy_per_atom": -4.76814321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.07257284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0245764,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.999000Z",
"spacegroup": 194
},
{
"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-1094120",
"created_at": "2022-09-04T14:48:26.115343Z",
"structure_string": "Nb12\n1.0\n5.374343 0.000000 0.000000\n-1.516425 6.770262 0.000000\n-2.292508 -2.725628 6.234305\nNb\n12\ndirect\n0.069490 0.140393 0.503316 Nb\n0.509667 0.212573 0.340606 Nb\n0.072719 0.731441 0.133756 Nb\n0.046112 0.405816 0.262338 Nb\n0.024193 0.983918 0.882255 Nb\n0.596368 0.925967 0.050041 Nb\n0.683872 0.720414 0.393695 Nb\n0.054694 0.564241 0.697763 Nb\n0.553340 0.563811 0.699148 Nb\n0.428080 0.395001 0.998307 Nb\n0.771339 0.251176 0.789395 Nb\n0.336504 0.880067 0.604147 Nb\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.161255619756384,
"density_atomic": 0.052900812772490494,
"volume": 226.83961495276392,
"volume_molar": 11.383834093247875,
"formula_full": "Nb12",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -118.93868106,
"energy_per_atom": -9.911556755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.93868106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.583000Z",
"spacegroup": 1
}
]
}