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=-nelements&page=12130",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12128",
"results": [
{
"id": "mp-2661",
"created_at": "2022-09-04T14:41:55.185060Z",
"structure_string": "Sr2 Si2\n1.0\n2.414988 -5.652197 0.000000\n2.414988 5.652197 0.000000\n0.000000 0.000000 4.077626\nSr Si\n2 2\ndirect\n0.361339 0.638661 0.250000 Sr\n0.638661 0.361339 0.750000 Sr\n0.063489 0.936511 0.250000 Si\n0.936511 0.063489 0.750000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.451941632505662,
"density_atomic": 0.035932740299185785,
"volume": 111.31909135498462,
"volume_molar": 16.759480935375414,
"formula_full": "Sr2 Si2",
"formula_reduced": "SrSi",
"formula_anonymous": "AB",
"energy": -15.949462700000002,
"energy_per_atom": -3.9873656750000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.0914627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002059,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.439000Z",
"spacegroup": 63
},
{
"id": "mp-1094964",
"created_at": "2022-09-04T14:41:55.142583Z",
"structure_string": "Hf1 Mg1\n1.0\n3.115068 0.000000 0.000000\n0.000000 3.115068 0.000000\n0.000000 0.000000 4.464740\nHf Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 7.772757247071735,
"density_atomic": 0.04616350329283478,
"volume": 43.32426824959855,
"volume_molar": 13.045242086154065,
"formula_full": "Hf1 Mg1",
"formula_reduced": "HfMg",
"formula_anonymous": "AB",
"energy": -11.17067031,
"energy_per_atom": -5.585335155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.17067031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.742000Z",
"spacegroup": 123
},
{
"id": "mp-1061732",
"created_at": "2022-09-04T14:41:57.410187Z",
"structure_string": "Mg1 Zr2\n1.0\n7.844002 -1.618483 0.000000\n7.844002 1.618483 0.000000\n7.510054 0.000000 2.783332\nMg Zr\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.219488 0.219488 0.219488 Zr\n0.780512 0.780512 0.780512 Zr\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Zr"
],
"chemical_system": "Mg-Zr",
"density": 4.858028644162112,
"density_atomic": 0.04245026527503786,
"volume": 70.67093646088703,
"volume_molar": 14.186344233615934,
"formula_full": "Mg1 Zr2",
"formula_reduced": "MgZr2",
"formula_anonymous": "AB2",
"energy": -18.60371139,
"energy_per_atom": -6.20123713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.60371139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.73e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.838000Z",
"spacegroup": 166
},
{
"id": "mp-1267863",
"created_at": "2022-09-04T14:41:52.455295Z",
"structure_string": "Mg8 Si12\n1.0\n16.612287 0.096521 -0.450334\n-0.052176 3.949917 -1.356105\n0.276246 -0.260417 5.537289\nMg Si\n8 12\ndirect\n0.738686 0.905630 0.710838 Mg\n0.261681 0.694160 0.289513 Mg\n0.935186 0.045700 0.997217 Mg\n0.064115 0.553603 0.000673 Mg\n0.238573 0.404515 0.708282 Mg\n0.761760 0.195462 0.292152 Mg\n0.435398 0.545358 0.996560 Mg\n0.564190 0.055438 0.004755 Mg\n0.929702 0.347929 0.590810 Si\n0.070390 0.251465 0.408070 Si\n0.880904 0.749835 0.390619 Si\n0.119698 0.849085 0.607460 Si\n0.325354 0.023988 0.960605 Si\n0.674263 0.576762 0.040928 Si\n0.429501 0.847525 0.590002 Si\n0.570562 0.753251 0.411877 Si\n0.380886 0.249118 0.389162 Si\n0.619718 0.350855 0.611166 Si\n0.825338 0.524666 0.961987 Si\n0.174195 0.075226 0.037484 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4654740763826437,
"density_atomic": 0.055873496830420866,
"volume": 357.9514641924256,
"volume_molar": 10.778170513074434,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -74.7231465,
"energy_per_atom": -3.7361573249999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.5751465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007354,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.186000Z",
"spacegroup": 12
},
{
"id": "mp-1039033",
"created_at": "2022-09-04T14:41:55.126419Z",
"structure_string": "Ca1 Mg3\n1.0\n-1.683882 2.917219 5.514799\n1.683882 -2.917219 5.514799\n1.683882 2.917219 -5.514799\nCa Mg\n1 3\ndirect\n0.337099 0.000000 0.337099 Ca\n0.830698 0.500000 0.330698 Mg\n0.244389 0.244954 0.999435 Mg\n0.754481 0.755046 0.999435 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7315309927176339,
"density_atomic": 0.03691387385785546,
"volume": 108.36034211426389,
"volume_molar": 16.31403082534633,
"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy": -6.6553089,
"energy_per_atom": -1.663827225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.6553089,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.988000Z",
"spacegroup": 44
},
{
"id": "mp-1183739",
"created_at": "2022-09-04T14:42:00.988110Z",
"structure_string": "Cd2 Sb6\n1.0\n3.296817 -5.710255 0.000000\n3.296817 5.710255 0.000000\n0.000000 0.000000 5.721053\nCd Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.171423 0.342845 0.250000 Sb\n0.657155 0.828577 0.250000 Sb\n0.171423 0.828577 0.250000 Sb\n0.828577 0.657155 0.750000 Sb\n0.342845 0.171423 0.750000 Sb\n0.828577 0.171423 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Sb"
],
"chemical_system": "Cd-Sb",
"density": 7.364950658554038,
"density_atomic": 0.037139296801986625,
"volume": 215.40526312743947,
"volume_molar": 16.21501018747848,
"formula_full": "Cd2 Sb6",
"formula_reduced": "CdSb3",
"formula_anonymous": "AB3",
"energy": -26.09797841,
"energy_per_atom": -3.26224730125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.94597841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.099000Z",
"spacegroup": 194
},
{
"id": "mp-21279",
"created_at": "2022-09-04T14:41:55.117096Z",
"structure_string": "Eu2 Si2\n1.0\n2.296608 -5.548892 0.000000\n2.296608 5.548892 0.000000\n0.000000 0.000000 3.973539\nEu Si\n2 2\ndirect\n0.140379 0.859621 0.250000 Eu\n0.859621 0.140379 0.750000 Eu\n0.434278 0.565722 0.250000 Si\n0.565722 0.434278 0.750000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Si"
],
"chemical_system": "Eu-Si",
"density": 5.904326860554806,
"density_atomic": 0.039496568954201554,
"volume": 101.27461969261735,
"volume_molar": 15.247250380110241,
"formula_full": "Eu2 Si2",
"formula_reduced": "EuSi",
"formula_anonymous": "AB",
"energy": -33.79626837,
"energy_per_atom": -8.4490670925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.93826837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1441634,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.150000Z",
"spacegroup": 63
},
{
"id": "mp-1310867",
"created_at": "2022-09-04T14:41:55.113083Z",
"structure_string": "Cr6 O8\n1.0\n2.836657 -3.003314 -4.223526\n0.505330 6.154798 0.008325\n2.746595 -2.987587 4.152109\nCr O\n6 8\ndirect\n0.500127 0.500085 0.499885 Cr\n0.000001 0.499965 0.499973 Cr\n0.499946 0.000008 0.500020 Cr\n0.999999 0.000027 0.000063 Cr\n0.500027 0.499996 0.999955 Cr\n0.500037 0.000034 0.000051 Cr\n0.288752 0.050965 0.265793 O\n0.285996 0.551744 0.762813 O\n0.713858 0.448181 0.237168 O\n0.711269 0.949045 0.734330 O\n0.764803 0.049833 0.271576 O\n0.721947 0.450320 0.715009 O\n0.278144 0.549709 0.284921 O\n0.235094 0.950089 0.728443 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.6662457373939485,
"density_atomic": 0.08941733112319095,
"volume": 156.56919999895874,
"volume_molar": 6.734869721959439,
"formula_full": "Cr6 O8",
"formula_reduced": "Cr3O4",
"formula_anonymous": "A3B4",
"energy": -127.66832801,
"energy_per_atom": -9.119166286428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.17832801,
"band_gap": 1.4759999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.390000Z",
"spacegroup": 2
},
{
"id": "mp-570363",
"created_at": "2022-09-04T14:41:56.759158Z",
"structure_string": "Li8 Si8\n1.0\n-5.091108 5.091108 3.769841\n5.091108 -5.091108 3.769841\n5.091108 5.091108 -3.769841\nLi Si\n8 8\ndirect\n0.665988 0.938823 0.102895 Li\n0.835928 0.563093 0.897105 Li\n0.061177 0.164072 0.727165 Li\n0.584012 0.811177 0.397105 Li\n0.414072 0.186907 0.602895 Li\n0.813093 0.415988 0.227165 Li\n0.188823 0.585928 0.772835 Li\n0.436907 0.334012 0.272835 Li\n0.430985 0.273688 0.938260 Si\n0.523688 0.085428 0.342703 Si\n0.819015 0.476312 0.561740 Si\n0.335428 0.492725 0.061740 Si\n0.742725 0.180985 0.657297 Si\n0.726312 0.664572 0.157297 Si\n0.507275 0.569015 0.842703 Si\n0.914572 0.257275 0.438260 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Li",
"Si"
],
"chemical_system": "Li-Si",
"density": 1.1904966634297736,
"density_atomic": 0.04093665358492577,
"volume": 390.84777574226854,
"volume_molar": 14.71087700783034,
"formula_full": "Li8 Si8",
"formula_reduced": "LiSi",
"formula_anonymous": "AB",
"energy": -57.97692071,
"energy_per_atom": -3.623557544375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.54492071,
"band_gap": 1.3839,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001914,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.146000Z",
"spacegroup": 88
},
{
"id": "mp-975057",
"created_at": "2022-09-04T14:41:52.479792Z",
"structure_string": "Rb3 Dy1\n1.0\n6.394361 0.000000 0.000000\n0.000000 6.394361 0.000000\n0.000000 0.000000 6.394361\nRb Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Dy"
],
"chemical_system": "Dy-Rb",
"density": 2.6605506384596986,
"density_atomic": 0.015299193512823345,
"volume": 261.45169002845245,
"volume_molar": 39.362471982280724,
"formula_full": "Rb3 Dy1",
"formula_reduced": "Rb3Dy",
"formula_anonymous": "AB3",
"energy": -5.01311319,
"energy_per_atom": -1.2532782975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.01311319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3364318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.916000Z",
"spacegroup": 221
},
{
"id": "mp-1412175",
"created_at": "2022-09-04T14:41:54.972456Z",
"structure_string": "Mo2 O4\n1.0\n1.542937 -2.672446 0.000000\n1.542937 2.672446 0.000000\n0.000000 0.000000 10.917563\nMo O\n2 4\ndirect\n0.666667 0.333333 0.750000 Mo\n0.333333 0.666667 0.250000 Mo\n0.333333 0.666667 0.412764 O\n0.666667 0.333333 0.912764 O\n0.333333 0.666667 0.087236 O\n0.666667 0.333333 0.587236 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.7192016121826645,
"density_atomic": 0.06664052592302924,
"volume": 90.03530384694271,
"volume_molar": 9.036754552260977,
"formula_full": "Mo2 O4",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy": -41.30854012,
"energy_per_atom": -6.884756686666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.15654012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3265944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.035000Z",
"spacegroup": 194
},
{
"id": "mp-1219457",
"created_at": "2022-09-04T14:41:56.762747Z",
"structure_string": "Sb1 As1\n1.0\n3.867867 -2.054357 0.000000\n3.867867 2.054357 0.000000\n2.776727 0.000000 3.386822\nSb As\n1 1\ndirect\n0.230170 0.230170 0.230170 Sb\n0.769830 0.769830 0.769830 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sb",
"As"
],
"chemical_system": "As-Sb",
"density": 6.067964257083869,
"density_atomic": 0.037158671574195105,
"volume": 53.823237356765546,
"volume_molar": 16.206555576066624,
"formula_full": "Sb1 As1",
"formula_reduced": "SbAs",
"formula_anonymous": "AB",
"energy": -8.81804646,
"energy_per_atom": -4.40902323,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.81804646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.989000Z",
"spacegroup": 160
}
]
}