HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=updated_at&page=73",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=updated_at&page=71",
"results": [
{
"id": "oqmd-22272",
"created_at": "2022-09-04T14:48:49.615018Z",
"updated_at": "2022-09-04T14:48:49.615050Z",
"structure_string": "Ge1\n1.0\n1.683727 1.683727 1.683727\n1.683727 -1.683727 -1.683727\n-1.683727 1.683727 -1.683727\nGe\n1\ndirect\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.317567821688333,
"density_atomic": 0.05237511384388952,
"volume": 19.093037257744644,
"volume_molar": 11.498095790206266,
"formula_full": "Ge1",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"formation_energy": 0.343545185,
"spacegroup": 229
},
{
"id": "oqmd-6445",
"created_at": "2022-09-04T14:48:49.615416Z",
"updated_at": "2022-09-04T14:48:49.615437Z",
"structure_string": "Cu4 As4 S4\n1.0\n11.380919 0.000000 0.000000\n0.000000 3.812188 0.000000\n0.000000 0.000000 5.470777\nAs Cu S\n4 4 4\ndirect\n0.514522 0.250001 0.151081 As\n0.014522 0.250001 0.348919 As\n0.985478 0.750000 0.651081 As\n0.485478 0.750000 0.848920 As\n0.175529 0.250001 0.060320 Cu\n0.675529 0.250001 0.439678 Cu\n0.324471 0.750000 0.560321 Cu\n0.824470 0.750000 0.939678 Cu\n0.831616 0.250001 0.173478 S\n0.331616 0.250001 0.326522 S\n0.668385 0.750000 0.673477 S\n0.168384 0.750000 0.826522 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"As",
"Cu",
"S"
],
"chemical_system": "As-Cu-S",
"density": 4.772169355072682,
"density_atomic": 0.05055691802635552,
"volume": 237.35624061863012,
"volume_molar": 11.911605760581836,
"formula_full": "Cu4 As4 S4",
"formula_reduced": "CuAsS",
"formula_anonymous": "ABC",
"formation_energy": -0.276452273004452,
"spacegroup": 62
},
{
"id": "oqmd-27726",
"created_at": "2022-09-04T14:48:49.617717Z",
"updated_at": "2022-09-04T14:48:49.617744Z",
"structure_string": "Dy3 Al3 Cu3\n1.0\n7.028658 0.000020 0.000000\n-3.514312 6.087006 0.000000\n0.000000 0.000000 4.018694\nAl Cu Dy\n3 3 3\ndirect\n0.235783 0.000000 0.000000 Al\n0.000000 0.235783 0.000000 Al\n0.764227 0.764227 0.000000 Al\n0.666684 0.333364 0.000000 Cu\n0.333365 0.666685 0.000000 Cu\n0.000000 0.000000 0.500001 Cu\n0.585764 0.000000 0.500001 Dy\n0.414250 0.414250 0.500001 Dy\n0.000000 0.585764 0.500001 Dy\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Dy"
],
"chemical_system": "Al-Cu-Dy",
"density": 7.331221636348941,
"density_atomic": 0.05234566430561804,
"volume": 171.9340105696981,
"volume_molar": 11.504564589800552,
"formula_full": "Dy3 Al3 Cu3",
"formula_reduced": "DyAlCu",
"formula_anonymous": "ABC",
"formation_energy": -0.454933196666667,
"spacegroup": 189
},
{
"id": "oqmd-67566",
"created_at": "2022-09-04T14:48:49.618085Z",
"updated_at": "2022-09-04T14:48:49.618112Z",
"structure_string": "Mg2 Hg2\n1.0\n3.353352 0.000000 0.000000\n0.000000 4.916159 0.000000\n0.000000 0.000000 5.372004\nHg Mg\n2 2\ndirect\n0.500001 0.448627 0.000000 Hg\n0.000000 0.718040 0.500000 Hg\n0.000000 0.959178 0.000000 Mg\n0.500001 0.207489 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Mg"
],
"chemical_system": "Hg-Mg",
"density": 8.43368744190619,
"density_atomic": 0.04516672484364254,
"volume": 88.56077153805455,
"volume_molar": 13.333135800409156,
"formula_full": "Mg2 Hg2",
"formula_reduced": "MgHg",
"formula_anonymous": "AB",
"formation_energy": -0.131466869566469,
"spacegroup": 59
},
{
"id": "oqmd-30254",
"created_at": "2022-09-04T14:48:49.624050Z",
"updated_at": "2022-09-04T14:48:49.624066Z",
"structure_string": "Fe2 Sn4\n1.0\n0.000000 0.000000 -5.312157\n3.276450 3.276450 2.656079\n3.276450 -3.276450 -2.656079\nFe Sn\n2 4\ndirect\n0.250000 0.000000 0.000000 Fe\n0.750000 0.000000 0.000000 Fe\n0.162050 0.500000 0.175899 Sn\n0.337950 0.175899 0.500000 Sn\n0.662051 0.824101 0.500000 Sn\n0.837950 0.500000 0.824101 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Sn"
],
"chemical_system": "Fe-Sn",
"density": 8.539478324739251,
"density_atomic": 0.052606966913529216,
"volume": 114.05333460608519,
"volume_molar": 11.447420585753735,
"formula_full": "Fe2 Sn4",
"formula_reduced": "FeSn2",
"formula_anonymous": "AB2",
"formation_energy": -0.0476176695674676,
"spacegroup": 140
},
{
"id": "oqmd-20110",
"created_at": "2022-09-04T14:48:49.625823Z",
"updated_at": "2022-09-04T14:48:49.625854Z",
"structure_string": "Zr4 Al2 N2\n1.0\n3.252656 0.000000 0.000000\n-1.626328 2.816863 0.000000\n0.000000 0.000000 14.373105\nAl N Zr\n2 2 4\ndirect\n0.666695 0.333389 0.250000 Al\n0.333305 0.666610 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.333309 0.666617 0.089202 Zr\n0.333309 0.666617 0.410798 Zr\n0.666691 0.333381 0.589203 Zr\n0.666691 0.333381 0.910798 Zr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"N",
"Zr"
],
"chemical_system": "Al-N-Zr",
"density": 5.634796633149181,
"density_atomic": 0.060748495773371214,
"volume": 131.69050357797926,
"volume_molar": 9.913234366273434,
"formula_full": "Zr4 Al2 N2",
"formula_reduced": "Zr2AlN",
"formula_anonymous": "ABC2",
"formation_energy": -1.13132652758588,
"spacegroup": 194
},
{
"id": "oqmd-6447",
"created_at": "2022-09-04T14:48:49.631932Z",
"updated_at": "2022-09-04T14:48:49.631957Z",
"structure_string": "K1 Cr2 Fe1 O8\n1.0\n-4.255831 -2.743121 0.004193\n-4.255831 2.743121 0.004193\n0.623981 0.000000 -7.499914\nCr Fe K O\n2 1 1 8\ndirect\n0.623158 0.623158 0.289527 Cr\n0.376842 0.376842 0.710474 Cr\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 K\n0.688222 0.688222 0.093544 O\n0.764126 0.261760 0.310436 O\n0.261760 0.764126 0.310436 O\n0.768463 0.768463 0.450247 O\n0.231537 0.231537 0.549752 O\n0.738240 0.235874 0.689565 O\n0.235874 0.738240 0.689565 O\n0.311778 0.311778 0.906456 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"K",
"O"
],
"chemical_system": "Cr-Fe-K-O",
"density": 3.100450376365859,
"density_atomic": 0.06853323444628209,
"volume": 175.09752891359406,
"volume_molar": 8.787183048715278,
"formula_full": "K1 Cr2 Fe1 O8",
"formula_reduced": "KCr2FeO8",
"formula_anonymous": "ABC2D8",
"formation_energy": -1.7816853482469,
"spacegroup": 12
},
{
"id": "oqmd-67680",
"created_at": "2022-09-04T14:48:49.634740Z",
"updated_at": "2022-09-04T14:48:49.634778Z",
"structure_string": "Mg2 Rh2\n1.0\n2.891799 0.000000 0.000000\n-1.445900 2.504370 0.000000\n0.000000 0.000000 9.078128\nMg Rh\n2 2\ndirect\n0.666667 0.333333 0.277612 Mg\n0.000000 0.000000 0.972388 Mg\n0.000000 0.000000 0.509227 Rh\n0.666667 0.333333 0.740772 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 6.425976824284745,
"density_atomic": 0.06084110504984065,
"volume": 65.74502545151383,
"volume_molar": 9.89814493846997,
"formula_full": "Mg2 Rh2",
"formula_reduced": "MgRh",
"formula_anonymous": "AB",
"formation_energy": -0.0855015120833356,
"spacegroup": 164
},
{
"id": "oqmd-6069",
"created_at": "2022-09-04T14:48:49.641775Z",
"updated_at": "2022-09-04T14:48:49.641811Z",
"structure_string": "Th2 S2 O2\n1.0\n3.996869 0.000000 0.000000\n0.000000 3.996869 0.000000\n0.000000 0.000000 6.789839\nO S Th\n2 2 2\ndirect\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 0.000000 O\n0.000000 0.499999 0.363075 S\n0.499999 0.000000 0.636924 S\n0.499999 0.000000 0.202321 Th\n0.000000 0.499999 0.797679 Th\n",
"nsites": 6,
"nelements": 3,
"elements": [
"O",
"S",
"Th"
],
"chemical_system": "O-S-Th",
"density": 8.576235761193177,
"density_atomic": 0.05531614998600791,
"volume": 108.46741867461286,
"volume_molar": 10.886767718872854,
"formula_full": "Th2 S2 O2",
"formula_reduced": "ThSO",
"formula_anonymous": "ABC",
"formation_energy": -3.36612627371153,
"spacegroup": 129
},
{
"id": "oqmd-13823",
"created_at": "2022-09-04T14:48:49.647733Z",
"updated_at": "2022-09-04T14:48:49.647769Z",
"structure_string": "Ni2 Te2\n1.0\n3.849864 0.000000 0.000000\n-1.924932 3.334080 0.000000\n-1.924932 1.111360 6.678442\nNi Te\n2 2\ndirect\n0.131491 0.868509 0.394472 Ni\n0.868509 0.131491 0.605527 Ni\n0.741461 0.258539 0.224383 Te\n0.258540 0.741461 0.775618 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Te"
],
"chemical_system": "Ni-Te",
"density": 7.217387103067681,
"density_atomic": 0.04666200849745882,
"volume": 85.72284238938916,
"volume_molar": 12.905875580404906,
"formula_full": "Ni2 Te2",
"formula_reduced": "NiTe",
"formula_anonymous": "AB",
"formation_energy": -0.200237624166665,
"spacegroup": 166
},
{
"id": "oqmd-10566",
"created_at": "2022-09-04T14:48:49.648773Z",
"updated_at": "2022-09-04T14:48:49.648800Z",
"structure_string": "Al6 Pt4\n1.0\n4.149712 -0.000032 0.000007\n-2.074884 3.593805 0.000000\n0.000053 0.000031 10.929646\nAl Pt\n6 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.228952 Al\n0.333356 0.666678 0.335254 Al\n0.000000 0.000000 0.500000 Al\n0.666643 0.333321 0.664746 Al\n0.000000 0.000000 0.771049 Al\n0.333335 0.666669 0.101492 Pt\n0.666654 0.333326 0.408104 Pt\n0.333345 0.666673 0.591895 Pt\n0.666665 0.333333 0.898508 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Al",
"Pt"
],
"chemical_system": "Al-Pt",
"density": 9.599026704010887,
"density_atomic": 0.06135124389777504,
"volume": 162.99588019213184,
"volume_molar": 9.815841338171136,
"formula_full": "Al6 Pt4",
"formula_reduced": "Al3Pt2",
"formula_anonymous": "A2B3",
"formation_energy": -0.642643051,
"spacegroup": 164
},
{
"id": "oqmd-6904",
"created_at": "2022-09-04T14:48:49.654581Z",
"updated_at": "2022-09-04T14:48:49.654610Z",
"structure_string": "Zn4 S4\n1.0\n-1.917727 3.321720 0.000014\n3.835445 -0.000005 -0.000011\n1.917760 -1.107274 -12.540855\nS Zn\n4 4\ndirect\n0.354104 0.645973 0.062235 S\n0.104138 0.895829 0.312472 S\n0.520875 0.479181 0.562569 S\n0.937504 0.062520 0.812486 S\n0.416669 0.583397 0.249942 Zn\n0.166653 0.833286 0.500021 Zn\n0.583367 0.416715 0.750022 Zn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"S",
"Zn"
],
"chemical_system": "S-Zn",
"density": 4.0522157984671585,
"density_atomic": 0.050070816703322286,
"volume": 159.7737070557746,
"volume_molar": 12.027246920461,
"formula_full": "Zn4 S4",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"formation_energy": -0.954301157006678,
"spacegroup": 160
}
]
}