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=-structure_string&page=102",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=100",
"results": [
{
"id": "mp-1215442",
"created_at": "2022-09-04T14:45:24.083112Z",
"structure_string": "Zr2 Al3 Zn1\n1.0\n4.536272 -2.666967 0.000000\n4.536272 2.666967 0.000000\n2.968308 0.000000 4.345069\nZr Al Zn\n2 3 1\ndirect\n0.624661 0.624661 0.624661 Zr\n0.375339 0.375339 0.375339 Zr\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Zn"
],
"chemical_system": "Al-Zn-Zr",
"density": 5.193254881870316,
"density_atomic": 0.05706999675636267,
"volume": 105.13405188394489,
"volume_molar": 10.552200985237654,
"formula_full": "Zr2 Al3 Zn1",
"formula_reduced": "Zr2Al3Zn",
"formula_anonymous": "AB2C3",
"energy": -32.69447266,
"energy_per_atom": -5.449078776666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.69447266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001202,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.785000Z",
"spacegroup": 166
},
{
"id": "mp-1215477",
"created_at": "2022-09-04T14:41:52.546229Z",
"structure_string": "Zr2 Al3 Ni1\n1.0\n4.410556 -2.641629 0.000000\n4.410556 2.641629 0.000000\n2.828397 0.000000 4.293179\nZr Al Ni\n2 3 1\ndirect\n0.625936 0.625936 0.625936 Zr\n0.374064 0.374064 0.374064 Zr\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Zr",
"density": 5.346219804729653,
"density_atomic": 0.059975944244222895,
"volume": 100.04010900716986,
"volume_molar": 10.040926968115345,
"formula_full": "Zr2 Al3 Ni1",
"formula_reduced": "Zr2Al3Ni",
"formula_anonymous": "AB2C3",
"energy": -37.59891175,
"energy_per_atom": -6.266485291666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.59891175,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0316935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.459000Z",
"spacegroup": 166
},
{
"id": "mp-1215491",
"created_at": "2022-09-04T14:39:28.694756Z",
"structure_string": "Zr2 Al3 Cr1\n1.0\n4.523990 -2.647108 0.000000\n4.523990 2.647108 0.000000\n2.975095 0.000000 4.315377\nZr Al Cr\n2 3 1\ndirect\n0.628924 0.628924 0.628924 Zr\n0.371076 0.371076 0.371076 Zr\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Zr",
"density": 5.067026938677642,
"density_atomic": 0.05805093449695402,
"volume": 103.35750926309076,
"volume_molar": 10.373891156422275,
"formula_full": "Zr2 Al3 Cr1",
"formula_reduced": "Zr2Al3Cr",
"formula_anonymous": "AB2C3",
"energy": -40.19927029,
"energy_per_atom": -6.699878381666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.19927029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8155833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.817000Z",
"spacegroup": 166
},
{
"id": "mp-1215510",
"created_at": "2022-09-04T14:47:24.716945Z",
"structure_string": "Zr2 Al3 Co1\n1.0\n4.425450 -2.632672 0.000000\n4.425450 2.632672 0.000000\n2.859290 0.000000 4.282527\nZr Al Co\n2 3 1\ndirect\n0.628224 0.628224 0.628224 Zr\n0.371776 0.371776 0.371776 Zr\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Co"
],
"chemical_system": "Al-Co-Zr",
"density": 5.3636432372201615,
"density_atomic": 0.06012664234109349,
"volume": 99.78937400100432,
"volume_molar": 10.015760943105542,
"formula_full": "Zr2 Al3 Co1",
"formula_reduced": "Zr2Al3Co",
"formula_anonymous": "AB2C3",
"energy": -38.59308768,
"energy_per_atom": -6.432181279999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.59308768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0741637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.781000Z",
"spacegroup": 166
},
{
"id": "mp-10906",
"created_at": "2022-09-04T14:41:34.187412Z",
"structure_string": "Zr2 Al2 Pt4\n1.0\n2.270630 -3.932847 0.000000\n2.270630 3.932847 0.000000\n0.000000 0.000000 8.259139\nZr Al Pt\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.666667 0.333333 0.083481 Pt\n0.333333 0.666667 0.916519 Pt\n0.333333 0.666667 0.583481 Pt\n0.666667 0.333333 0.416519 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Pt"
],
"chemical_system": "Al-Pt-Zr",
"density": 11.44573894517251,
"density_atomic": 0.05423401953113598,
"volume": 147.50888960769663,
"volume_molar": 11.10399120711063,
"formula_full": "Zr2 Al2 Pt4",
"formula_reduced": "ZrAlPt2",
"formula_anonymous": "ABC2",
"energy": -51.94927905,
"energy_per_atom": -6.49365988125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.94927905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001796,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.025000Z",
"spacegroup": 194
},
{
"id": "mp-1215376",
"created_at": "2022-09-04T14:42:53.333260Z",
"structure_string": "Zr2 Al2 Ni2\n1.0\n-3.045229 0.974118 -4.267714\n3.045229 -4.267714 0.974118\n-3.045229 -4.267714 0.974118\nZr Al Ni\n2 2 2\ndirect\n0.750000 0.375000 0.875000 Zr\n0.250000 0.375000 0.375000 Zr\n0.500000 0.767347 0.732653 Al\n0.000000 0.982653 0.017347 Al\n0.250000 0.875000 0.375000 Ni\n0.750000 0.375000 0.375000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Zr",
"density": 5.58728652603998,
"density_atomic": 0.05706211615091962,
"volume": 105.14857149936427,
"volume_molar": 10.553658304701598,
"formula_full": "Zr2 Al2 Ni2",
"formula_reduced": "ZrAlNi",
"formula_anonymous": "ABC",
"energy": -37.55335256,
"energy_per_atom": -6.258892093333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.55335256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057414,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.566000Z",
"spacegroup": 74
},
{
"id": "mp-1215310",
"created_at": "2022-09-04T14:43:13.309891Z",
"structure_string": "Zr2 Al2 Mo8\n1.0\n-2.692861 -4.664187 -0.000200\n-5.385721 0.000000 0.000000\n0.000000 -0.000375 -8.436928\nZr Al Mo\n2 2 8\ndirect\n0.666671 0.666665 0.061101 Zr\n0.333329 0.333335 0.938899 Zr\n0.333375 0.333313 0.567892 Al\n0.666625 0.666687 0.432108 Al\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.827836 0.344254 0.741014 Mo\n0.344290 0.827855 0.740964 Mo\n0.827836 0.827911 0.741014 Mo\n0.172164 0.655746 0.258986 Mo\n0.655710 0.172145 0.259036 Mo\n0.172164 0.172089 0.258986 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Mo"
],
"chemical_system": "Al-Mo-Zr",
"density": 7.86590773376067,
"density_atomic": 0.05662094301497049,
"volume": 211.9357142608384,
"volume_molar": 10.63588919458257,
"formula_full": "Zr2 Al2 Mo8",
"formula_reduced": "ZrAlMo4",
"formula_anonymous": "ABC4",
"energy": -110.74054229,
"energy_per_atom": -9.228378524166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.74054229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0077277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.260000Z",
"spacegroup": 164
},
{
"id": "mp-1215318",
"created_at": "2022-09-04T14:43:07.314607Z",
"structure_string": "Zr2 Al2 Cu2\n1.0\n-2.582558 2.637018 3.627057\n2.582558 -2.637018 3.627057\n2.582558 2.637018 -3.627057\nZr Al Cu\n2 2 2\ndirect\n0.874964 0.624964 0.250000 Zr\n0.125036 0.375036 0.750000 Zr\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Zr",
"density": 6.109133829156733,
"density_atomic": 0.060725863676798886,
"volume": 98.80468776753486,
"volume_molar": 9.916928958065752,
"formula_full": "Zr2 Al2 Cu2",
"formula_reduced": "ZrAlCu",
"formula_anonymous": "ABC",
"energy": -35.20244665,
"energy_per_atom": -5.8670744416666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.20244665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6175018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.122000Z",
"spacegroup": 74
},
{
"id": "mp-1237224",
"created_at": "2022-09-04T14:42:41.647287Z",
"structure_string": "Zr2 Al2 Cr6\n1.0\n2.949850 -5.109290 0.000000\n2.949850 5.109290 0.000000\n0.000000 0.000000 5.279331\nZr Al Cr\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.791850 0.208150 0.750000 Cr\n0.791850 0.583700 0.750000 Cr\n0.416300 0.208150 0.750000 Cr\n0.208150 0.791850 0.250000 Cr\n0.208150 0.416300 0.250000 Cr\n0.583700 0.791850 0.250000 Cr\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Zr",
"density": 5.722257680601028,
"density_atomic": 0.06283919690797755,
"volume": 159.1363431115155,
"volume_molar": 9.583414582492027,
"formula_full": "Zr2 Al2 Cr6",
"formula_reduced": "ZrAlCr3",
"formula_anonymous": "ABC3",
"energy": -77.28974755,
"energy_per_atom": -7.728974755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.28974755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0722268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.613000Z",
"spacegroup": 194
},
{
"id": "mp-1215405",
"created_at": "2022-09-04T14:42:24.901753Z",
"structure_string": "Zr2 Al2 Cr6\n1.0\n-2.673384 -5.789713 0.000000\n-5.346767 0.000000 0.000000\n0.000000 0.000000 -4.917697\nZr Al Cr\n2 2 6\ndirect\n0.199491 0.400254 0.750000 Zr\n0.800509 0.599746 0.250000 Zr\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.651414 0.387799 0.750000 Cr\n0.392482 0.803759 0.750000 Cr\n0.651414 0.960786 0.750000 Cr\n0.348586 0.612201 0.250000 Cr\n0.607518 0.196241 0.250000 Cr\n0.348586 0.039214 0.250000 Cr\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Zr",
"density": 5.981728857252448,
"density_atomic": 0.0656885898000206,
"volume": 152.233440091248,
"volume_molar": 9.16771204608523,
"formula_full": "Zr2 Al2 Cr6",
"formula_reduced": "ZrAlCr3",
"formula_anonymous": "ABC3",
"energy": -81.12628862,
"energy_per_atom": -8.112628862,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.12628862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0543568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.571000Z",
"spacegroup": 63
},
{
"id": "mp-11233",
"created_at": "2022-09-04T14:47:02.792914Z",
"structure_string": "Zr2 Al2\n1.0\n1.677617 -5.477335 0.000000\n1.677617 5.477335 0.000000\n0.000000 0.000000 4.305273\nZr Al\n2 2\ndirect\n0.840030 0.159970 0.250000 Zr\n0.159970 0.840030 0.750000 Zr\n0.571131 0.428869 0.250000 Al\n0.428869 0.571131 0.750000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Al"
],
"chemical_system": "Al-Zr",
"density": 4.961626929465305,
"density_atomic": 0.05055535659675495,
"volume": 79.12119049827358,
"volume_molar": 11.911973656984452,
"formula_full": "Zr2 Al2",
"formula_reduced": "ZrAl",
"formula_anonymous": "AB",
"energy": -26.43922609,
"energy_per_atom": -6.6098065225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.43922609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013556,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.647000Z",
"spacegroup": 63
},
{
"id": "mp-1096736",
"created_at": "2022-09-04T14:39:34.237289Z",
"structure_string": "Zr2 Al1 Tc1\n1.0\n-5.080639 5.645329 8.020977\n5.080639 -5.645329 8.020977\n5.080639 5.645329 -8.020977\nZr Al Tc\n2 1 1\ndirect\n0.000000 0.278712 0.278712 Zr\n0.000000 0.721288 0.721288 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Tc"
],
"chemical_system": "Al-Tc-Zr",
"density": 0.5547532227101187,
"density_atomic": 0.00434675472056734,
"volume": 920.2267570041124,
"volume_molar": 138.54337654492704,
"formula_full": "Zr2 Al1 Tc1",
"formula_reduced": "Zr2AlTc",
"formula_anonymous": "ABC2",
"energy": -18.51057586,
"energy_per_atom": -4.627643965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.51057586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8397265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.010000Z",
"spacegroup": 71
}
]
}