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=42",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=40",
"results": [
{
"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
},
{
"id": "mp-1062055",
"created_at": "2022-09-04T14:43:05.784293Z",
"structure_string": "Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.104822986646732,
"density_atomic": 0.030936901568147854,
"volume": 96.97157271524414,
"volume_molar": 19.465882020325854,
"formula_full": "Br3",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -3.11029283,
"energy_per_atom": -1.0367642766666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.11029283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.63101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.895000Z",
"spacegroup": 221
},
{
"id": "mp-10021",
"created_at": "2022-09-04T14:39:08.011484Z",
"structure_string": "Ga2\n1.0\n1.376794 -4.448811 0.000000\n1.376794 4.448811 0.000000\n0.000000 0.000000 3.102618\nGa\n2\ndirect\n0.868285 0.131715 0.250000 Ga\n0.131715 0.868285 0.750000 Ga\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.09233722507633,
"density_atomic": 0.05262096057180036,
"volume": 38.00766801417537,
"volume_molar": 11.444376337035688,
"formula_full": "Ga2",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -6.02177077,
"energy_per_atom": -3.010885385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02177077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.269000Z",
"spacegroup": 63
},
{
"id": "mp-1186916",
"created_at": "2022-09-04T14:46:06.467887Z",
"structure_string": "Rh4\n1.0\n1.362007 -2.359066 0.000000\n1.362007 2.359066 0.000000\n0.000000 0.000000 8.870532\nRh\n4\ndirect\n0.000000 0.000000 0.000000 Rh\n0.333333 0.666667 0.250000 Rh\n0.000000 0.000000 0.500000 Rh\n0.666667 0.333333 0.750000 Rh\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Rh"
],
"chemical_system": "Rh",
"density": 11.990811681777446,
"density_atomic": 0.07017152222113537,
"volume": 57.00318125342329,
"volume_molar": 8.582029531897708,
"formula_full": "Rh4",
"formula_reduced": "Rh",
"formula_anonymous": "A",
"energy": -29.29756298,
"energy_per_atom": -7.324390745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.29756298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2933413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.973000Z",
"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-1014013",
"created_at": "2022-09-04T14:42:51.577922Z",
"structure_string": "P4\n1.0\n3.299918 0.000000 0.000000\n0.000000 4.600926 0.000000\n0.000000 0.000000 35.235589\nP\n4\ndirect\n0.000000 0.588557 0.970112 P\n0.000000 0.411443 0.029888 P\n0.500000 0.088557 0.029888 P\n0.500000 0.911443 0.970112 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3845679734918437,
"density_atomic": 0.007477046117149621,
"volume": 534.9706203931867,
"volume_molar": 80.54170946180741,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -21.47303725,
"energy_per_atom": -5.3682593125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47303725,
"band_gap": 0.8832,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.369000Z",
"spacegroup": 53
},
{
"id": "mp-12628",
"created_at": "2022-09-04T14:45:54.824065Z",
"structure_string": "Rb1\n1.0\n0.000000 3.568601 3.568601\n3.568601 0.000000 3.568601\n3.568601 3.568601 0.000000\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5614484407092162,
"density_atomic": 0.011002111090589649,
"volume": 90.89164722716919,
"volume_molar": 54.73622935102765,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96519287,
"energy_per_atom": -0.96519287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96519287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.586000Z",
"spacegroup": 225
},
{
"id": "mp-1179802",
"created_at": "2022-09-04T14:46:11.351041Z",
"structure_string": "Rb8\n1.0\n8.978624 0.000000 0.000000\n-0.417011 9.410338 0.000000\n-4.078497 -2.329584 8.811433\nRb\n8\ndirect\n0.388715 0.794630 0.234057 Rb\n0.974850 0.820843 0.782301 Rb\n0.894549 0.599739 0.269305 Rb\n0.780495 0.299401 0.750595 Rb\n0.273446 0.288511 0.733440 Rb\n0.453472 0.782270 0.726238 Rb\n0.849128 0.088731 0.229780 Rb\n0.364381 0.302596 0.249545 Rb\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5250358697239768,
"density_atomic": 0.010745544725265654,
"volume": 744.4945979508938,
"volume_molar": 56.04314079899862,
"formula_full": "Rb8",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -7.41507832,
"energy_per_atom": -0.92688479,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.41507832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.537000Z",
"spacegroup": 1
},
{
"id": "mp-568145",
"created_at": "2022-09-04T14:45:39.734844Z",
"structure_string": "Ar2\n1.0\n1.993797 -3.453358 0.000000\n1.993797 3.453358 0.000000\n0.000000 0.000000 6.538394\nAr\n2\ndirect\n0.333333 0.666667 0.250000 Ar\n0.666667 0.333333 0.750000 Ar\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ar"
],
"chemical_system": "Ar",
"density": 1.4735012557963914,
"density_atomic": 0.022212956782590297,
"volume": 90.0375406829012,
"volume_molar": 27.110937183832878,
"formula_full": "Ar2",
"formula_reduced": "Ar",
"formula_anonymous": "A",
"energy": -0.13675436,
"energy_per_atom": -0.06837718,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.13675436,
"band_gap": 8.679,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.529000Z",
"spacegroup": 194
},
{
"id": "mp-1183710",
"created_at": "2022-09-04T14:41:57.197292Z",
"structure_string": "Co4\n1.0\n1.247102 -2.160044 0.000000\n1.247102 2.160044 0.000000\n0.000000 0.000000 8.085938\nCo\n4\ndirect\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.250000 Co\n0.000000 0.000000 0.500000 Co\n0.666667 0.333333 0.750000 Co\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Co"
],
"chemical_system": "Co",
"density": 8.985538289516327,
"density_atomic": 0.09181951937704544,
"volume": 43.56372182231207,
"volume_molar": 6.558671621086175,
"formula_full": "Co4",
"formula_reduced": "Co",
"formula_anonymous": "A",
"energy": -28.4114812,
"energy_per_atom": -7.1028703,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.4114812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3935151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.115000Z",
"spacegroup": 194
},
{
"id": "mp-8636",
"created_at": "2022-09-04T14:43:53.594815Z",
"structure_string": "Nb1\n1.0\n0.000000 2.115513 2.115513\n2.115513 0.000000 2.115513\n2.115513 2.115513 0.000000\nNb\n1\ndirect\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.147371978526298,
"density_atomic": 0.05281081976901989,
"volume": 18.93551367643462,
"volume_molar": 11.403232872239439,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -9.78114088,
"energy_per_atom": -9.78114088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78114088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.930000Z",
"spacegroup": 225
},
{
"id": "mp-632250",
"created_at": "2022-09-04T14:45:20.751634Z",
"structure_string": "H1\n1.0\n-2.605000 2.605000 2.605000\n2.605000 -2.605000 2.605000\n2.605000 2.605000 -2.605000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.023670127850447698,
"density_atomic": 0.014142195147712436,
"volume": 70.7103805,
"volume_molar": 42.58278645641592,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.12145603,
"energy_per_atom": -1.12145603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.12145603,
"band_gap": 7.4222,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.478000Z",
"spacegroup": 229
}
]
}