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_per_atom&page=98",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=96",
"results": [
{
"id": "mp-1185123",
"created_at": "2022-09-04T14:47:11.424908Z",
"structure_string": "K3 Tb1\n1.0\n-2.905376 2.905376 6.671850\n2.905376 -2.905376 6.671850\n2.905376 2.905376 -6.671850\nK Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Tb"
],
"chemical_system": "K-Tb",
"density": 2.0360744636054617,
"density_atomic": 0.01775615947333464,
"volume": 225.27393978450186,
"volume_molar": 33.915784373550856,
"formula_full": "K3 Tb1",
"formula_reduced": "K3Tb",
"formula_anonymous": "AB3",
"energy": -5.62079305,
"energy_per_atom": -1.4051982625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.62079305,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1874981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.567000Z",
"spacegroup": 139
},
{
"id": "mp-1096835",
"created_at": "2022-09-04T14:45:36.957617Z",
"structure_string": "Ba4\n1.0\n-3.561742 -4.641180 0.000000\n-3.561742 4.641180 0.000000\n0.000000 0.000000 -6.578505\nBa\n4\ndirect\n0.355844 0.144156 0.250000 Ba\n0.644156 0.855844 0.750000 Ba\n0.986551 0.513449 0.250000 Ba\n0.013449 0.486551 0.750000 Ba\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 4.193889148209845,
"density_atomic": 0.018391278329159006,
"volume": 217.4943975296203,
"volume_molar": 32.74454691086924,
"formula_full": "Ba4",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -5.62188725,
"energy_per_atom": -1.4054718125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.62188725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0134804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.727000Z",
"spacegroup": 63
},
{
"id": "mp-1180981",
"created_at": "2022-09-04T14:41:03.989835Z",
"structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.5737451578813175,
"density_atomic": 0.02170430809147089,
"volume": 46.073802297018105,
"volume_molar": 27.746292278105436,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.40693406,
"energy_per_atom": -1.40693406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.40693406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.706000Z",
"spacegroup": 69
},
{
"id": "mp-1185120",
"created_at": "2022-09-04T14:42:15.254865Z",
"structure_string": "K3 Tl1\n1.0\n-2.955148 2.955148 5.824672\n2.955148 -2.955148 5.824672\n2.955148 2.955148 -5.824672\nK Tl\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Tl"
],
"chemical_system": "K-Tl",
"density": 2.625311188802059,
"density_atomic": 0.019659390687006492,
"volume": 203.46510548995425,
"volume_molar": 30.632387625218833,
"formula_full": "K3 Tl1",
"formula_reduced": "K3Tl",
"formula_anonymous": "AB3",
"energy": -5.62835643,
"energy_per_atom": -1.4070891075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.62835643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4088242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.133000Z",
"spacegroup": 139
},
{
"id": "mp-1360281",
"created_at": "2022-09-04T14:39:59.552427Z",
"structure_string": "Mg18 Si10\n1.0\n-7.964695 0.000000 0.000000\n3.888399 7.079754 0.000000\n-0.348493 -4.395605 -9.627426\nMg Si\n18 10\ndirect\n0.353772 0.362146 0.385597 Mg\n0.758656 0.623254 0.554871 Mg\n0.057935 0.695594 0.379439 Mg\n0.023722 0.268932 0.550351 Mg\n0.656602 0.988541 0.373933 Mg\n0.510050 0.988182 0.592403 Mg\n0.182039 0.205414 0.873185 Mg\n0.290577 0.503581 0.040565 Mg\n0.881266 0.501599 0.881232 Mg\n0.937035 0.795043 0.031422 Mg\n0.245910 0.862760 0.884579 Mg\n0.564132 0.130740 0.039986 Mg\n0.460060 0.260734 0.708827 Mg\n0.671761 0.756033 0.207186 Mg\n0.166317 0.599734 0.699946 Mg\n0.969409 0.387169 0.207782 Mg\n0.553823 0.605348 0.821320 Mg\n0.290130 0.096982 0.205130 Mg\n0.900143 0.888150 0.728677 Si\n0.135295 0.956851 0.586323 Si\n0.000450 0.029163 0.335994 Si\n0.918728 0.148119 0.018214 Si\n0.826769 0.254831 0.741890 Si\n0.311403 0.747862 0.213363 Si\n0.617788 0.933366 0.887393 Si\n0.628204 0.438265 0.131228 Si\n0.700341 0.352705 0.395538 Si\n0.387683 0.618932 0.523846 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1972762646375803,
"density_atomic": 0.05157752818592249,
"volume": 542.8720798536112,
"volume_molar": 11.675900284115741,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -39.40246398,
"energy_per_atom": -1.4072308564285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.11246398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.355000Z",
"spacegroup": 1
},
{
"id": "mp-977062",
"created_at": "2022-09-04T14:40:58.792567Z",
"structure_string": "Na3 Ca1\n1.0\n0.000000 4.235120 4.235120\n4.235120 0.000000 4.235120\n4.235120 4.235120 0.000000\nNa Ca\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ca"
],
"chemical_system": "Ca-Na",
"density": 1.1918919564211454,
"density_atomic": 0.026328907249290226,
"volume": 151.92426947790747,
"volume_molar": 22.872733391403262,
"formula_full": "Na3 Ca1",
"formula_reduced": "Na3Ca",
"formula_anonymous": "AB3",
"energy": -5.63193754,
"energy_per_atom": -1.407984385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.63193754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1431593,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.614000Z",
"spacegroup": 225
},
{
"id": "mp-978282",
"created_at": "2022-09-04T14:44:49.776425Z",
"structure_string": "Mg3 Hg1\n1.0\n4.410621 0.000000 0.000000\n0.000000 4.410621 0.000000\n0.000000 0.000000 4.410621\nMg Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 5.293161498815855,
"density_atomic": 0.04661876546651414,
"volume": 85.8023579125699,
"volume_molar": 12.917846922234894,
"formula_full": "Mg3 Hg1",
"formula_reduced": "Mg3Hg",
"formula_anonymous": "AB3",
"energy": -5.63217233,
"energy_per_atom": -1.4080430825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.63217233,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.675000Z",
"spacegroup": 221
},
{
"id": "mp-1185432",
"created_at": "2022-09-04T14:39:26.726954Z",
"structure_string": "Li1 Zn1 Cd2\n1.0\n0.000000 3.303506 3.303506\n3.303506 0.000000 3.303506\n3.303506 3.303506 0.000000\nLi Zn Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Cd"
],
"chemical_system": "Cd-Li-Zn",
"density": 6.843869017406848,
"density_atomic": 0.055475943332574884,
"volume": 72.10332550850455,
"volume_molar": 10.855409386907825,
"formula_full": "Li1 Zn1 Cd2",
"formula_reduced": "LiZnCd2",
"formula_anonymous": "ABC2",
"energy": -5.63274844,
"energy_per_atom": -1.40818711,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.63274844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.354000Z",
"spacegroup": 225
},
{
"id": "mp-1094432",
"created_at": "2022-09-04T14:47:17.057986Z",
"structure_string": "Mg2 Zn4\n1.0\n1.472613 5.319645 0.000000\n-1.472613 5.319645 0.000000\n0.000000 1.692257 6.418808\nMg Zn\n2 4\ndirect\n0.525660 0.525660 0.205322 Mg\n0.474340 0.474340 0.794678 Mg\n0.802509 0.802509 0.142354 Zn\n0.147682 0.147682 0.468692 Zn\n0.852318 0.852318 0.531308 Zn\n0.197491 0.197491 0.857646 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.122708293938455,
"density_atomic": 0.059661695098427336,
"volume": 100.5670387021598,
"volume_molar": 10.093814381346233,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.44935682,
"energy_per_atom": -1.4082261366666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.44935682,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.201000Z",
"spacegroup": 12
},
{
"id": "mp-1028061",
"created_at": "2022-09-04T14:45:27.465884Z",
"structure_string": "Rb1 Mg14 Zn1\n1.0\n6.565521 0.022760 0.000000\n-3.263050 5.651768 0.000000\n0.000000 0.000000 10.613983\nRb Mg Zn\n1 14 1\ndirect\n0.158390 0.829195 0.125000 Rb\n0.163542 0.331770 0.625000 Mg\n0.167015 0.833507 0.625000 Mg\n0.653037 0.336043 0.125000 Mg\n0.666410 0.329581 0.625000 Mg\n0.653037 0.816993 0.125000 Mg\n0.666410 0.836828 0.625000 Mg\n0.338464 0.179252 0.389417 Mg\n0.338464 0.179252 0.860583 Mg\n0.338464 0.659213 0.389417 Mg\n0.338464 0.659213 0.860583 Mg\n0.839624 0.169812 0.363548 Mg\n0.839624 0.169812 0.886452 Mg\n0.820629 0.660315 0.392887 Mg\n0.820629 0.660315 0.857113 Mg\n0.197800 0.348899 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Zn"
],
"chemical_system": "Mg-Rb-Zn",
"density": 2.0666177833906096,
"density_atomic": 0.04054335915208514,
"volume": 394.63922907771996,
"volume_molar": 14.853581168274465,
"formula_full": "Rb1 Mg14 Zn1",
"formula_reduced": "RbMg14Zn",
"formula_anonymous": "ABC14",
"energy": -22.54813744,
"energy_per_atom": -1.40925859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.54813744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.784000Z",
"spacegroup": 38
},
{
"id": "mp-694932",
"created_at": "2022-09-04T14:39:44.955873Z",
"structure_string": "Na2 Co6 O12\n1.0\n4.137365 -2.692479 0.000000\n4.137365 2.692479 0.000000\n2.385177 0.000000 4.321824\nNa Co O\n2 6 12\ndirect\n0.185091 0.185091 0.185091 Na\n0.814909 0.814909 0.814909 Na\n0.412208 0.737907 0.098661 Co\n0.587792 0.901339 0.262093 Co\n0.737907 0.098661 0.412208 Co\n0.098661 0.412208 0.737907 Co\n0.901339 0.262093 0.587792 Co\n0.262093 0.587792 0.901339 Co\n0.051609 0.051609 0.051609 O\n0.674942 0.674942 0.674942 O\n0.433237 0.060525 0.763548 O\n0.566763 0.236452 0.939475 O\n0.566193 0.566193 0.566193 O\n0.433807 0.433807 0.433807 O\n0.763548 0.433237 0.060525 O\n0.939475 0.566763 0.236452 O\n0.325058 0.325058 0.325058 O\n0.948391 0.948391 0.948391 O\n0.060525 0.763548 0.433237 O\n0.236452 0.939475 0.566763 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 10.201948179036288,
"density_atomic": 0.20770969221004137,
"volume": 96.28823665953675,
"volume_molar": 2.8993065734796124,
"formula_full": "Na2 Co6 O12",
"formula_reduced": "Na(CoO2)3",
"formula_anonymous": "AB3C6",
"energy": -28.18594455,
"energy_per_atom": -1.4092972275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.42594455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0487167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.612000Z",
"spacegroup": 155
},
{
"id": "mp-974627",
"created_at": "2022-09-04T14:47:43.993207Z",
"structure_string": "K3 Tl1\n1.0\n5.906420 0.000000 0.000000\n0.000000 5.906420 0.000000\n0.000000 0.000000 5.906420\nK Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Tl"
],
"chemical_system": "K-Tl",
"density": 2.5923745510613614,
"density_atomic": 0.019412747838713815,
"volume": 206.05017039488928,
"volume_molar": 31.0215782435002,
"formula_full": "K3 Tl1",
"formula_reduced": "K3Tl",
"formula_anonymous": "AB3",
"energy": -5.63942527,
"energy_per_atom": -1.4098563175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.63942527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0151086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.058000Z",
"spacegroup": 221
}
]
}