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=energy_uncorrected&page=10273",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10271",
"results": [
{
"id": "mp-1186265",
"created_at": "2022-09-04T14:42:56.710611Z",
"structure_string": "Nd6 Cd2\n1.0\n3.581036 -6.202537 0.000000\n3.581036 6.202537 0.000000\n0.000000 0.000000 5.617133\nNd Cd\n6 2\ndirect\n0.174085 0.348171 0.250000 Nd\n0.651829 0.825915 0.250000 Nd\n0.174085 0.825915 0.250000 Nd\n0.825915 0.651829 0.750000 Nd\n0.348171 0.174085 0.750000 Nd\n0.825915 0.174085 0.750000 Nd\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Cd"
],
"chemical_system": "Cd-Nd",
"density": 7.255410674628911,
"density_atomic": 0.03206027429385368,
"volume": 249.5299923723264,
"volume_molar": 18.783809223848447,
"formula_full": "Nd6 Cd2",
"formula_reduced": "Nd3Cd",
"formula_anonymous": "AB3",
"energy": -31.198944,
"energy_per_atom": -3.899868,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.198944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0826834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.486000Z",
"spacegroup": 194
},
{
"id": "mp-1216679",
"created_at": "2022-09-04T14:39:44.197034Z",
"structure_string": "U2 Sb1 Te1\n1.0\n6.815034 -2.261003 0.000000\n6.815034 2.261003 0.000000\n6.064908 0.000000 3.843660\nU Sb Te\n2 1 1\ndirect\n0.250448 0.250448 0.250448 U\n0.749552 0.749552 0.749552 U\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-U",
"density": 10.169349937235342,
"density_atomic": 0.03376881851669542,
"volume": 118.4524711168792,
"volume_molar": 17.833436360892023,
"formula_full": "U2 Sb1 Te1",
"formula_reduced": "U2SbTe",
"formula_anonymous": "ABC2",
"energy": -31.81240769,
"energy_per_atom": -7.9531019225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.19840769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6396572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.649000Z",
"spacegroup": 166
},
{
"id": "mp-4999",
"created_at": "2022-09-04T14:46:22.692010Z",
"structure_string": "Nd1 Co2 Ge2\n1.0\n-2.011568 2.011568 5.161398\n2.011568 -2.011568 5.161398\n2.011568 2.011568 -5.161398\nNd Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.631801 0.631801 0.000000 Ge\n0.368199 0.368199 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Nd",
"density": 8.097686674153605,
"density_atomic": 0.059851250300703894,
"volume": 83.54044359773711,
"volume_molar": 10.061846209968275,
"formula_full": "Nd1 Co2 Ge2",
"formula_reduced": "Nd(CoGe)2",
"formula_anonymous": "AB2C2",
"energy": -31.1980724,
"energy_per_atom": -6.23961448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.1980724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0364143,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.587000Z",
"spacegroup": 139
},
{
"id": "mp-1183154",
"created_at": "2022-09-04T14:42:55.909237Z",
"structure_string": "Al1 Pb1 O3\n1.0\n3.834480 0.000000 0.000000\n0.000000 3.834480 0.000000\n0.000000 0.000000 3.834480\nAl Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Pb",
"O"
],
"chemical_system": "Al-O-Pb",
"density": 8.311042316450266,
"density_atomic": 0.08868508234785834,
"volume": 56.3792677148114,
"volume_molar": 6.790477722486355,
"formula_full": "Al1 Pb1 O3",
"formula_reduced": "AlPbO3",
"formula_anonymous": "ABC3",
"energy": -33.25869943,
"energy_per_atom": -6.651739886,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.19769943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0325802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.289000Z",
"spacegroup": 221
},
{
"id": "mp-1183473",
"created_at": "2022-09-04T14:41:11.095916Z",
"structure_string": "Be1 Ru3\n1.0\n-1.805761 1.805761 3.953395\n1.805761 -1.805761 3.953395\n1.805761 1.805761 -3.953395\nBe Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Ru"
],
"chemical_system": "Be-Ru",
"density": 10.054537860645997,
"density_atomic": 0.07757276168736045,
"volume": 51.564491362588065,
"volume_molar": 7.763215630082738,
"formula_full": "Be1 Ru3",
"formula_reduced": "BeRu3",
"formula_anonymous": "AB3",
"energy": -31.19514543,
"energy_per_atom": -7.7987863575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.19514543,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.362000Z",
"spacegroup": 139
},
{
"id": "mp-1186471",
"created_at": "2022-09-04T14:42:38.769266Z",
"structure_string": "Pr1 Pb1 O3\n1.0\n4.537287 0.000000 0.000000\n0.000000 4.537287 0.000000\n0.000000 0.000000 4.537287\nPr Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Pr",
"density": 7.041604055881917,
"density_atomic": 0.05352802895408167,
"volume": 93.4090064158571,
"volume_molar": 11.250443697760693,
"formula_full": "Pr1 Pb1 O3",
"formula_reduced": "PrPbO3",
"formula_anonymous": "ABC3",
"energy": -33.25481445,
"energy_per_atom": -6.65096289,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.19381445,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.329000Z",
"spacegroup": 221
},
{
"id": "mp-1185794",
"created_at": "2022-09-04T14:44:59.174231Z",
"structure_string": "Mg6 Re2\n1.0\n2.954831 -5.117917 0.000000\n2.954831 5.117917 0.000000\n0.000000 0.000000 4.814781\nMg Re\n6 2\ndirect\n0.174614 0.349229 0.250000 Mg\n0.174614 0.825386 0.250000 Mg\n0.650771 0.825386 0.250000 Mg\n0.349229 0.174614 0.750000 Mg\n0.825386 0.174614 0.750000 Mg\n0.825386 0.650771 0.750000 Mg\n0.666667 0.333333 0.250000 Re\n0.333333 0.666667 0.750000 Re\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Re"
],
"chemical_system": "Mg-Re",
"density": 5.909503053191049,
"density_atomic": 0.054936067520727175,
"volume": 145.62381985171453,
"volume_molar": 10.962089264448839,
"formula_full": "Mg6 Re2",
"formula_reduced": "Mg3Re",
"formula_anonymous": "AB3",
"energy": -31.1915459,
"energy_per_atom": -3.8989432375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.1915459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8178185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.278000Z",
"spacegroup": 194
},
{
"id": "mp-30423",
"created_at": "2022-09-04T14:40:05.241516Z",
"structure_string": "V2 Au4\n1.0\n2.418356 -4.356201 0.000000\n2.418356 4.356201 0.000000\n0.000000 0.000000 4.812079\nV Au\n2 4\ndirect\n0.781656 0.781656 0.250000 V\n0.218344 0.218344 0.750000 V\n0.440313 0.117444 0.250000 Au\n0.117444 0.440313 0.250000 Au\n0.559687 0.882556 0.750000 Au\n0.882556 0.559687 0.750000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"V",
"Au"
],
"chemical_system": "Au-V",
"density": 14.57222450590015,
"density_atomic": 0.05917801085651825,
"volume": 101.38901110663339,
"volume_molar": 10.176314940022495,
"formula_full": "V2 Au4",
"formula_reduced": "VAu2",
"formula_anonymous": "AB2",
"energy": -31.19143942,
"energy_per_atom": -5.198573236666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.19143942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7038887,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.680000Z",
"spacegroup": 63
},
{
"id": "mp-1021166",
"created_at": "2022-09-04T14:39:27.601377Z",
"structure_string": "Na2 Mg12 Si2\n1.0\n5.043741 0.000000 0.000000\n0.000000 6.375303 0.000000\n0.000000 0.000000 11.009891\nNa Mg Si\n2 12 2\ndirect\n0.500000 0.500000 0.170197 Na\n0.500000 0.000000 0.670197 Na\n0.000000 0.245445 0.082178 Mg\n0.000000 0.754555 0.082178 Mg\n0.000000 0.500000 0.832498 Mg\n0.500000 0.241933 0.914620 Mg\n0.500000 0.758067 0.914620 Mg\n0.500000 0.500000 0.665002 Mg\n0.000000 0.745445 0.582178 Mg\n0.000000 0.254555 0.582178 Mg\n0.000000 0.000000 0.332498 Mg\n0.500000 0.741933 0.414620 Mg\n0.500000 0.258067 0.414620 Mg\n0.500000 0.000000 0.165002 Mg\n0.000000 0.500000 0.338706 Si\n0.000000 0.000000 0.838706 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Si"
],
"chemical_system": "Mg-Na-Si",
"density": 1.8471399632550116,
"density_atomic": 0.04519426791029768,
"volume": 354.0271972489312,
"volume_molar": 13.325010091883428,
"formula_full": "Na2 Mg12 Si2",
"formula_reduced": "NaMg6Si",
"formula_anonymous": "ABC6",
"energy": -31.04804183,
"energy_per_atom": -1.940502614375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.19004183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.718000Z",
"spacegroup": 38
},
{
"id": "mp-1026836",
"created_at": "2022-09-04T14:40:20.012743Z",
"structure_string": "K1 Hf1 Mg14\n1.0\n6.594133 -0.000000 -0.000000\n-3.297067 5.710686 0.000000\n-0.000000 -0.000000 10.291421\nK Hf Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 K\n0.166667 0.333333 0.625000 Hf\n0.173748 0.836873 0.125000 Mg\n0.169083 0.834541 0.625000 Mg\n0.663127 0.326252 0.125000 Mg\n0.665459 0.330917 0.625000 Mg\n0.663127 0.836873 0.125000 Mg\n0.665459 0.834541 0.625000 Mg\n0.335336 0.164664 0.386377 Mg\n0.335336 0.164664 0.863623 Mg\n0.335336 0.670673 0.386377 Mg\n0.335336 0.670673 0.863623 Mg\n0.829327 0.164664 0.386377 Mg\n0.829327 0.164664 0.863623 Mg\n0.833333 0.666667 0.373772 Mg\n0.833333 0.666667 0.876228 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Hf",
"Mg"
],
"chemical_system": "Hf-K-Mg",
"density": 2.390295909161056,
"density_atomic": 0.04128560511655251,
"volume": 387.5442773535895,
"volume_molar": 14.586538680973728,
"formula_full": "K1 Hf1 Mg14",
"formula_reduced": "KHfMg14",
"formula_anonymous": "ABC14",
"energy": -31.18926899,
"energy_per_atom": -1.949329311875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.18926899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0308179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.444000Z",
"spacegroup": 187
},
{
"id": "mp-1433892",
"created_at": "2022-09-04T14:46:57.137001Z",
"structure_string": "Al1 Mo1 O3\n1.0\n4.007721 0.000000 0.000000\n0.000000 4.007721 0.000000\n0.000000 0.000000 4.007721\nAl Mo O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Mo",
"O"
],
"chemical_system": "Al-Mo-O",
"density": 4.409089114959139,
"density_atomic": 0.07767433855308863,
"volume": 64.37132382637047,
"volume_molar": 7.753063459798896,
"formula_full": "Al1 Mo1 O3",
"formula_reduced": "AlMoO3",
"formula_anonymous": "ABC3",
"energy": -36.4510985,
"energy_per_atom": -7.2902197,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.1880985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1351509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.099000Z",
"spacegroup": 221
},
{
"id": "mp-23418",
"created_at": "2022-09-04T14:48:30.762904Z",
"structure_string": "Hg6 S4 Cl4\n1.0\n-4.610675 4.610675 4.610675\n4.610675 -4.610675 4.610675\n4.610675 4.610675 -4.610675\nHg S Cl\n6 4 4\ndirect\n0.947326 0.250000 0.197326 Hg\n0.750000 0.302674 0.552674 Hg\n0.197326 0.947326 0.250000 Hg\n0.250000 0.197326 0.947326 Hg\n0.302674 0.552674 0.750000 Hg\n0.552674 0.750000 0.302674 Hg\n0.000000 0.524148 0.500000 S\n0.975852 0.975852 0.975852 S\n0.524148 0.500000 0.000000 S\n0.500000 0.000000 0.524148 S\n0.000000 0.010948 0.500000 Cl\n0.489052 0.489052 0.489052 Cl\n0.500000 0.000000 0.010948 Cl\n0.010948 0.500000 0.000000 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"S",
"Cl"
],
"chemical_system": "Cl-Hg-S",
"density": 6.241352682279903,
"density_atomic": 0.03570873890676448,
"volume": 392.0608912164051,
"volume_molar": 16.864613381401707,
"formula_full": "Hg6 S4 Cl4",
"formula_reduced": "Hg3(SCl)2",
"formula_anonymous": "A2B2C3",
"energy": -35.65386426,
"energy_per_atom": -2.54670459,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.185864259999995,
"band_gap": 1.9398,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074897,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:53.916000Z",
"spacegroup": 199
}
]
}