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_reduced&page=22",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=20",
"results": [
{
"id": "mp-1096081",
"created_at": "2022-09-04T14:43:41.146175Z",
"structure_string": "Zr1 Si1 Ru2\n1.0\n-4.524217 5.448720 7.714113\n4.524217 -5.448720 7.714113\n4.524217 5.448720 -7.714113\nZr Si Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Si\n0.000000 0.250384 0.250384 Ru\n0.000000 0.749616 0.749616 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Zr",
"density": 0.701742769024912,
"density_atomic": 0.005258672026356365,
"volume": 760.6483119601443,
"volume_molar": 114.51828008700952,
"formula_full": "Zr1 Si1 Ru2",
"formula_reduced": "ZrSiRu2",
"formula_anonymous": "ABC2",
"energy": -20.84670147,
"energy_per_atom": -5.2116753675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.84670147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.633000Z",
"spacegroup": 71
},
{
"id": "mp-7544",
"created_at": "2022-09-04T14:43:39.075079Z",
"structure_string": "Zr3 Si3 Ru3\n1.0\n3.355306 -5.811561 0.000000\n3.355306 5.811561 0.000000\n0.000000 0.000000 3.728055\nZr Si Ru\n3 3 3\ndirect\n0.414793 0.414793 0.500000 Zr\n0.585207 0.000000 0.500000 Zr\n0.000000 0.585207 0.500000 Zr\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.244258 0.000000 Ru\n0.244258 0.000000 0.000000 Ru\n0.755742 0.755742 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Zr",
"density": 7.550997125152835,
"density_atomic": 0.061902083789654117,
"volume": 145.3909052655219,
"volume_molar": 9.7284944081422,
"formula_full": "Zr3 Si3 Ru3",
"formula_reduced": "ZrSiRu",
"formula_anonymous": "ABC",
"energy": -77.99339313,
"energy_per_atom": -8.66593257,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.20639313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016889,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.781000Z",
"spacegroup": 189
},
{
"id": "mp-972187",
"created_at": "2022-09-04T14:39:14.284521Z",
"structure_string": "Zr4 Si4 Pt4\n1.0\n3.932293 0.000000 0.000000\n0.000000 6.665350 0.000000\n0.000000 0.000000 7.623284\nZr Si Pt\n4 4 4\ndirect\n0.250000 0.974931 0.177788 Zr\n0.250000 0.474931 0.322212 Zr\n0.750000 0.525069 0.677788 Zr\n0.750000 0.025069 0.822212 Zr\n0.750000 0.263784 0.121974 Si\n0.750000 0.763784 0.378026 Si\n0.250000 0.236216 0.621974 Si\n0.250000 0.736216 0.878026 Si\n0.750000 0.645905 0.064090 Pt\n0.750000 0.145905 0.435910 Pt\n0.250000 0.854095 0.564090 Pt\n0.250000 0.354095 0.935910 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Zr",
"density": 10.451333794138742,
"density_atomic": 0.06005792415536474,
"volume": 199.80710570277157,
"volume_molar": 10.02722096158574,
"formula_full": "Zr4 Si4 Pt4",
"formula_reduced": "ZrSiPt",
"formula_anonymous": "ABC",
"energy": -93.78429304,
"energy_per_atom": -7.815357753333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.06829304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.35e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.158000Z",
"spacegroup": 62
},
{
"id": "mp-961711",
"created_at": "2022-09-04T14:44:08.188342Z",
"structure_string": "Zr1 Si1 Pt1\n1.0\n0.000000 3.071194 3.071194\n3.071194 0.000000 3.071194\n3.071194 3.071194 0.000000\nZr Si Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Zr",
"density": 9.010956815694525,
"density_atomic": 0.05178088956528686,
"volume": 57.93643224721955,
"volume_molar": 11.630045004165309,
"formula_full": "Zr1 Si1 Pt1",
"formula_reduced": "ZrSiPt",
"formula_anonymous": "ABC",
"energy": -23.00443304,
"energy_per_atom": -7.668144346666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.07543304,
"band_gap": 1.0712000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058234,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.575000Z",
"spacegroup": 216
},
{
"id": "mp-1207381",
"created_at": "2022-09-04T14:39:05.577892Z",
"structure_string": "Zr2 Si6 Pd6\n1.0\n1.925552 -7.866639 0.000000\n1.925552 7.866639 0.000000\n0.000000 0.000000 7.132011\nZr Si Pd\n2 6 6\ndirect\n0.988809 0.011191 0.250000 Zr\n0.011191 0.988809 0.750000 Zr\n0.573641 0.426359 0.032287 Si\n0.426359 0.573641 0.967713 Si\n0.426359 0.573641 0.532287 Si\n0.573641 0.426359 0.467713 Si\n0.738232 0.261768 0.250000 Si\n0.261768 0.738232 0.750000 Si\n0.339750 0.660250 0.250000 Pd\n0.660250 0.339750 0.750000 Pd\n0.824669 0.175331 0.553075 Pd\n0.175331 0.824669 0.446925 Pd\n0.175331 0.824669 0.053075 Pd\n0.824669 0.175331 0.946925 Pd\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Zr",
"density": 7.6044898501746925,
"density_atomic": 0.06479501033592042,
"volume": 216.0660200132543,
"volume_molar": 9.294142756948531,
"formula_full": "Zr2 Si6 Pd6",
"formula_reduced": "Zr(SiPd)3",
"formula_anonymous": "AB3C3",
"energy": -90.53748189,
"energy_per_atom": -6.466962992142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.96348189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.816000Z",
"spacegroup": 63
},
{
"id": "mp-961661",
"created_at": "2022-09-04T14:42:44.139008Z",
"structure_string": "Zr1 Si1 Pd1\n1.0\n0.000000 3.057158 3.057158\n3.057158 0.000000 3.057158\n3.057158 3.057158 0.000000\nZr Si Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Zr",
"density": 6.559243715716086,
"density_atomic": 0.05249737710246772,
"volume": 57.145712139949566,
"volume_molar": 11.471317411240571,
"formula_full": "Zr1 Si1 Pd1",
"formula_reduced": "ZrSiPd",
"formula_anonymous": "ABC",
"energy": -21.36167917,
"energy_per_atom": -7.120559723333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.43267917,
"band_gap": 0.3147000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.083000Z",
"spacegroup": 216
},
{
"id": "mp-1103414",
"created_at": "2022-09-04T14:40:08.613747Z",
"structure_string": "Zr4 Si4 Pd4\n1.0\n3.909530 0.000000 0.000000\n0.000000 6.678723 0.000000\n0.000000 0.000000 7.675770\nZr Si Pd\n4 4 4\ndirect\n0.250000 0.025832 0.320063 Zr\n0.250000 0.525832 0.179937 Zr\n0.750000 0.974168 0.679937 Zr\n0.750000 0.474168 0.820063 Zr\n0.250000 0.263102 0.622659 Si\n0.250000 0.763102 0.877341 Si\n0.750000 0.736898 0.377341 Si\n0.750000 0.236898 0.122659 Si\n0.250000 0.143728 0.938360 Pd\n0.250000 0.643728 0.561640 Pd\n0.750000 0.856272 0.061640 Pd\n0.750000 0.356272 0.438360 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Zr",
"density": 7.48096243502643,
"density_atomic": 0.0598744189211915,
"volume": 200.4194815785145,
"volume_molar": 10.057952742600344,
"formula_full": "Zr4 Si4 Pd4",
"formula_reduced": "ZrSiPd",
"formula_anonymous": "ABC",
"energy": -88.40638933999999,
"energy_per_atom": -7.3671991116666655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.69038934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.47e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.401000Z",
"spacegroup": 62
},
{
"id": "mp-1103293",
"created_at": "2022-09-04T14:39:44.990795Z",
"structure_string": "Zr4 Si4 Os4\n1.0\n4.080406 0.000000 0.000000\n0.000000 6.439958 0.000000\n0.000000 0.000000 7.507221\nZr Si Os\n4 4 4\ndirect\n0.250000 0.014650 0.815769 Zr\n0.250000 0.514650 0.684231 Zr\n0.750000 0.985350 0.184231 Zr\n0.750000 0.485350 0.315769 Zr\n0.250000 0.787597 0.378435 Si\n0.250000 0.287597 0.121565 Si\n0.750000 0.212403 0.621565 Si\n0.750000 0.712403 0.878435 Si\n0.250000 0.162679 0.441450 Os\n0.250000 0.662679 0.058550 Os\n0.750000 0.837321 0.558550 Os\n0.750000 0.337321 0.941450 Os\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Os"
],
"chemical_system": "Os-Si-Zr",
"density": 10.422203579199651,
"density_atomic": 0.06082969411497337,
"volume": 197.27207533411175,
"volume_molar": 9.900001713994541,
"formula_full": "Zr4 Si4 Os4",
"formula_reduced": "ZrSiOs",
"formula_anonymous": "ABC",
"energy": -110.49920634,
"energy_per_atom": -9.208267195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.78320634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002607,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.773000Z",
"spacegroup": 62
},
{
"id": "mp-1020588",
"created_at": "2022-09-04T14:48:05.776813Z",
"structure_string": "Zr2 Si2 O8\n1.0\n5.183922 0.000000 0.000000\n0.000000 4.719592 0.000000\n0.000000 0.741064 4.879986\nZr Si O\n2 2 8\ndirect\n0.722360 0.500000 0.250000 Zr\n0.277640 0.500000 0.750000 Zr\n0.833707 0.000000 0.750000 Si\n0.166293 0.000000 0.250000 Si\n0.607280 0.247429 0.609765 O\n0.607280 0.752571 0.890235 O\n0.392720 0.752571 0.390235 O\n0.392720 0.247429 0.109765 O\n0.921543 0.218253 0.016847 O\n0.921543 0.781747 0.483153 O\n0.078457 0.781747 0.983153 O\n0.078457 0.218253 0.516847 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Zr",
"density": 5.09890463242534,
"density_atomic": 0.10050779733755946,
"volume": 119.3937218591859,
"volume_molar": 5.991714990802553,
"formula_full": "Zr2 Si2 O8",
"formula_reduced": "ZrSiO4",
"formula_anonymous": "ABC4",
"energy": -108.05186895,
"energy_per_atom": -9.0043224125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.55586895,
"band_gap": 3.4877,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.073000Z",
"spacegroup": 13
},
{
"id": "mp-4820",
"created_at": "2022-09-04T14:43:51.721705Z",
"structure_string": "Zr2 Si2 O8\n1.0\n-3.353926 3.353926 3.020376\n3.353926 -3.353926 3.020376\n3.353926 3.353926 -3.020376\nZr Si O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Zr\n0.750000 0.250000 0.500000 Zr\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.820075 0.636890 0.816815 O\n0.253260 0.570075 0.683185 O\n0.886890 0.570075 0.316815 O\n0.820075 0.003260 0.183185 O\n0.996740 0.179925 0.816815 O\n0.429925 0.113110 0.683185 O\n0.429925 0.746740 0.316815 O\n0.363110 0.179925 0.183185 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Zr",
"density": 4.479509122583042,
"density_atomic": 0.08829849301381643,
"volume": 135.90265915548878,
"volume_molar": 6.8202078591054685,
"formula_full": "Zr2 Si2 O8",
"formula_reduced": "ZrSiO4",
"formula_anonymous": "ABC4",
"energy": -110.2348374,
"energy_per_atom": -9.18623645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.7388374,
"band_gap": 4.4578,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000167,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.897000Z",
"spacegroup": 141
},
{
"id": "mp-11736",
"created_at": "2022-09-04T14:47:12.510217Z",
"structure_string": "Zr2 Si2 O8\n1.0\n-2.393079 2.393079 5.329388\n2.393079 -2.393079 5.329388\n2.393079 2.393079 -5.329388\nZr Si O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Zr\n0.250000 0.750000 0.500000 Zr\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.829989 0.431155 0.915714 O\n0.181155 0.765442 0.101166 O\n0.664275 0.079989 0.898834 O\n0.515442 0.914275 0.084286 O\n0.234558 0.335725 0.415714 O\n0.085725 0.170011 0.601166 O\n0.568845 0.484558 0.398834 O\n0.920011 0.818845 0.584286 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Zr",
"density": 4.98662807025212,
"density_atomic": 0.09829464161683828,
"volume": 122.08193450439674,
"volume_molar": 6.126621615321484,
"formula_full": "Zr2 Si2 O8",
"formula_reduced": "ZrSiO4",
"formula_anonymous": "ABC4",
"energy": -109.27956815,
"energy_per_atom": -9.106630679166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.78356815,
"band_gap": 4.000099999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.230000Z",
"spacegroup": 88
},
{
"id": "mp-1183043",
"created_at": "2022-09-04T14:42:02.634028Z",
"structure_string": "Zr1 Si1 O3\n1.0\n3.663473 0.000000 0.000000\n0.000000 3.663473 0.000000\n0.000000 0.000000 3.663473\nZr Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Si\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": [
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Zr",
"density": 5.650489094658311,
"density_atomic": 0.10169299052774221,
"volume": 49.16759723607481,
"volume_molar": 5.921883827732589,
"formula_full": "Zr1 Si1 O3",
"formula_reduced": "ZrSiO3",
"formula_anonymous": "ABC3",
"energy": -39.91684941,
"energy_per_atom": -7.983369882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.85584941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4741266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.185000Z",
"spacegroup": 221
}
]
}