HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1042",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1040",
"results": [
{
"id": "jvasp-64328",
"created_at": "2022-09-04T14:38:14.742936Z",
"updated_at": "2022-09-04T14:38:14.742961Z",
"structure_string": "Ba4 Ga1 Pd1\n1.0\n-0.000000 4.877887 4.877887\n4.877887 0.000000 4.877887\n4.877887 4.877887 -0.000000\nBa Ga Pd\n4 1 1\ndirect\n0.124575 0.625142 0.625142 Ba\n0.625142 0.625142 0.625142 Ba\n0.625142 0.124575 0.625142 Ba\n0.625142 0.625142 0.124575 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Pd"
],
"chemical_system": "Ba-Ga-Pd",
"density": 5.18957723133079,
"density_atomic": 0.025847946656161688,
"volume": 232.12675574636825,
"volume_molar": 23.298333287779478,
"formula_full": "Ba4 Ga1 Pd1",
"formula_reduced": "Ba4GaPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1273219841666666,
"spacegroup": 216
},
{
"id": "jvasp-52262",
"created_at": "2022-09-04T14:38:14.742122Z",
"updated_at": "2022-09-04T14:38:14.742146Z",
"structure_string": "Li2 Ag4 F8\n1.0\n5.491113 -0.030380 -0.000000\n-1.317934 5.330693 0.000000\n-0.000000 -0.000000 6.750825\nLi Ag F\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.001910 0.501910 0.250000 Ag\n0.498090 0.998089 0.750001 Ag\n0.501910 0.001910 0.250000 Ag\n0.998090 0.498090 0.750001 Ag\n0.213999 0.786001 0.000000 F\n0.286002 0.713998 0.500000 F\n0.241205 0.241205 0.768159 F\n0.258795 0.258795 0.268158 F\n0.741205 0.741204 0.731842 F\n0.758795 0.758795 0.231842 F\n0.713999 0.286001 0.500000 F\n0.786001 0.213999 0.000000 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 5.026500381083182,
"density_atomic": 0.07094496645734125,
"volume": 197.33605777963277,
"volume_molar": 8.488467978374583,
"formula_full": "Li2 Ag4 F8",
"formula_reduced": "LiAg2F4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0433350645714284,
"spacegroup": 64
},
{
"id": "jvasp-26772",
"created_at": "2022-09-04T14:38:14.741582Z",
"updated_at": "2022-09-04T14:38:14.741617Z",
"structure_string": "Rb16 Zn8 O16\n1.0\n0.000000 9.570366 0.091825\n6.338679 0.000000 0.000000\n0.000000 -7.784902 -14.051340\nRb Zn O\n16 8 16\ndirect\n0.683821 0.583240 0.762041 Rb\n0.683821 0.916760 0.262041 Rb\n0.564856 0.437374 0.119768 Rb\n0.860511 0.822785 0.528272 Rb\n0.922858 0.138495 0.163937 Rb\n0.316179 0.083240 0.737958 Rb\n0.860511 0.677215 0.028272 Rb\n0.564856 0.062626 0.619768 Rb\n0.435144 0.937374 0.380231 Rb\n0.435144 0.562626 0.880231 Rb\n0.316179 0.416760 0.237958 Rb\n0.139490 0.322785 0.971727 Rb\n0.077142 0.861505 0.836062 Rb\n0.077142 0.638495 0.336062 Rb\n0.922859 0.361505 0.663937 Rb\n0.139489 0.177215 0.471727 Rb\n0.412316 0.946826 0.040193 Zn\n0.758087 0.377641 0.368392 Zn\n0.587685 0.053174 0.959807 Zn\n0.241913 0.622359 0.631608 Zn\n0.758087 0.122359 0.868392 Zn\n0.587685 0.446826 0.459807 Zn\n0.241913 0.877641 0.131608 Zn\n0.412316 0.553174 0.540193 Zn\n0.255076 0.778982 0.529429 O\n0.384906 0.106500 0.142493 O\n0.142002 0.689026 0.702159 O\n0.615095 0.893500 0.857507 O\n0.142002 0.810974 0.202159 O\n0.744924 0.278982 0.970571 O\n0.363121 0.134145 0.926695 O\n0.615095 0.606500 0.357507 O\n0.384906 0.393500 0.642493 O\n0.255076 0.721018 0.029429 O\n0.857999 0.310974 0.297841 O\n0.857999 0.189026 0.797841 O\n0.744924 0.221018 0.470571 O\n0.636880 0.865856 0.073305 O\n0.363120 0.365855 0.426695 O\n0.636880 0.634145 0.573305 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"O"
],
"chemical_system": "O-Rb-Zn",
"density": 4.204358399557271,
"density_atomic": 0.04717693465979038,
"volume": 847.8719587962677,
"volume_molar": 12.76501070582011,
"formula_full": "Rb16 Zn8 O16",
"formula_reduced": "Rb2ZnO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-59140",
"created_at": "2022-09-04T14:38:14.727769Z",
"updated_at": "2022-09-04T14:38:14.727801Z",
"structure_string": "Dy4 Sc4 O12\n1.0\n5.435351 0.000000 0.000000\n0.000000 5.742975 0.000000\n0.000000 0.000000 7.928961\nDy Sc O\n4 4 12\ndirect\n0.980091 0.064239 0.750000 Dy\n0.480091 0.435760 0.250000 Dy\n0.519909 0.564239 0.750000 Dy\n0.019909 0.935760 0.250000 Dy\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Sc\n0.370150 0.944279 0.750000 O\n0.870149 0.555720 0.250000 O\n0.689900 0.306789 0.932544 O\n0.189901 0.193210 0.067456 O\n0.810099 0.806789 0.567456 O\n0.189901 0.193210 0.432544 O\n0.310099 0.693210 0.067456 O\n0.810099 0.806789 0.932544 O\n0.629850 0.055720 0.250000 O\n0.689900 0.306789 0.567456 O\n0.310099 0.693210 0.432544 O\n0.129850 0.444279 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Sc",
"O"
],
"chemical_system": "Dy-O-Sc",
"density": 6.855532346567782,
"density_atomic": 0.0808070390153506,
"volume": 247.5031908569336,
"volume_molar": 7.452495269447995,
"formula_full": "Dy4 Sc4 O12",
"formula_reduced": "DyScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6295744499999996,
"spacegroup": 62
},
{
"id": "jvasp-44614",
"created_at": "2022-09-04T14:38:14.722084Z",
"updated_at": "2022-09-04T14:38:14.722111Z",
"structure_string": "Li4 Mn2 C2 S2 O14\n1.0\n0.000000 4.814294 0.198961\n6.389873 0.000000 0.000000\n0.000000 -0.737084 -9.101688\nLi Mn C S O\n4 2 2 2 14\ndirect\n0.783544 0.483337 0.168034 Li\n0.783544 0.016663 0.168034 Li\n0.216456 0.516662 0.831966 Li\n0.216456 0.983337 0.831966 Li\n0.255754 0.250000 0.366122 Mn\n0.744246 0.750000 0.633879 Mn\n0.272821 0.250000 0.070820 C\n0.727179 0.750000 0.929181 C\n0.234891 0.750000 0.396767 S\n0.765109 0.250000 0.603233 S\n0.518565 0.750000 0.820528 O\n0.873103 0.063344 0.687802 O\n0.873103 0.436655 0.687802 O\n0.150675 0.750000 0.546961 O\n0.452692 0.250000 0.586822 O\n0.547308 0.750000 0.413178 O\n0.022022 0.250000 0.107781 O\n0.126897 0.563344 0.312198 O\n0.126897 0.936655 0.312198 O\n0.481436 0.250000 0.179473 O\n0.977978 0.750000 0.892220 O\n0.677601 0.750000 0.063740 O\n0.849325 0.250000 0.453039 O\n0.322399 0.250000 0.936261 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Li-Mn-O-S",
"density": 2.676463831015512,
"density_atomic": 0.08600434632610657,
"volume": 279.05566433815,
"volume_molar": 7.0021353771652155,
"formula_full": "Li4 Mn2 C2 S2 O14",
"formula_reduced": "Li2MnCSO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.950644311781609,
"spacegroup": 11
},
{
"id": "jvasp-90859",
"created_at": "2022-09-04T14:38:14.718672Z",
"updated_at": "2022-09-04T14:38:14.718694Z",
"structure_string": "Hf2 Cu2 Ge4\n1.0\n3.802495 0.000000 -0.000000\n-0.000000 3.802495 -0.000000\n-0.000000 -0.000000 9.130572\nHf Cu Ge\n2 2 4\ndirect\n0.750001 0.750001 0.763209 Hf\n0.250000 0.250000 0.236791 Hf\n0.250000 0.750001 0.500000 Cu\n0.750001 0.250000 0.500000 Cu\n0.250000 0.750001 0.000000 Ge\n0.750001 0.250000 0.000000 Ge\n0.750001 0.750001 0.321098 Ge\n0.250000 0.250000 0.678902 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Hf",
"density": 9.743371062379063,
"density_atomic": 0.06059749871922111,
"volume": 132.018650424303,
"volume_molar": 9.937936197504829,
"formula_full": "Hf2 Cu2 Ge4",
"formula_reduced": "HfCuGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5677388375,
"spacegroup": 129
},
{
"id": "jvasp-17177",
"created_at": "2022-09-04T14:38:14.714035Z",
"updated_at": "2022-09-04T14:38:14.714070Z",
"structure_string": "Zr2 N2\n1.0\n1.892145 -3.277291 0.000000\n1.892145 3.277291 -0.000000\n0.000000 0.000000 4.607321\nZr N\n2 2\ndirect\n0.333332 0.666666 0.438100 Zr\n0.666666 0.333332 0.938100 Zr\n0.333332 0.666666 0.938100 N\n0.666666 0.333332 0.438100 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 6.116087156948264,
"density_atomic": 0.07000226696638717,
"volume": 57.14100661798097,
"volume_molar": 8.602779625539323,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy_above_hull": 2.270273874999999,
"spacegroup": 194
},
{
"id": "jvasp-32302",
"created_at": "2022-09-04T14:38:14.711943Z",
"updated_at": "2022-09-04T14:38:14.711962Z",
"structure_string": "Mg4 In4 Br12\n1.0\n3.969774 -0.000000 0.000000\n-0.000000 9.429380 0.000000\n0.000000 0.000000 15.307572\nMg In Br\n4 4 12\ndirect\n0.250000 0.662058 0.055423 Mg\n0.749999 0.337942 0.944577 Mg\n0.250000 0.162058 0.444577 Mg\n0.749999 0.837942 0.555423 Mg\n0.749999 0.046220 0.176278 In\n0.250000 0.953780 0.823722 In\n0.250000 0.453780 0.676278 In\n0.749999 0.546220 0.323722 In\n0.749999 0.327242 0.502788 Br\n0.749999 0.476232 0.101368 Br\n0.749999 0.827242 0.997211 Br\n0.250000 0.172758 0.002788 Br\n0.749999 0.724253 0.710617 Br\n0.250000 0.275747 0.289383 Br\n0.749999 0.224253 0.789383 Br\n0.250000 0.775747 0.210617 Br\n0.250000 0.023768 0.601368 Br\n0.749999 0.976232 0.398632 Br\n0.250000 0.523768 0.898632 Br\n0.250000 0.672758 0.497212 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"In",
"Br"
],
"chemical_system": "Br-In-Mg",
"density": 4.391409661044363,
"density_atomic": 0.034903964948819546,
"volume": 573.0008046170813,
"volume_molar": 17.253457504986606,
"formula_full": "Mg4 In4 Br12",
"formula_reduced": "MgInBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-5371",
"created_at": "2022-09-04T14:38:14.710380Z",
"updated_at": "2022-09-04T14:38:14.710405Z",
"structure_string": "S6 N4 Cl4\n1.0\n0.000000 5.434283 0.170331\n8.647902 0.000000 0.000000\n0.000000 -1.482107 -6.345107\nS N Cl\n6 4 4\ndirect\n0.675394 0.172166 0.875317 S\n0.117530 0.776843 0.712411 S\n0.152591 0.522998 0.736028 S\n0.324605 0.672166 0.124684 S\n0.847409 0.022998 0.263972 S\n0.882469 0.276844 0.287590 S\n0.247419 0.514122 0.983103 N\n0.254563 0.804189 0.958352 N\n0.745436 0.304190 0.041649 N\n0.752580 0.014122 0.016898 N\n0.499158 0.989468 0.405467 Cl\n0.500841 0.489469 0.594534 Cl\n0.892580 0.647412 0.284300 Cl\n0.107419 0.147412 0.715701 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S",
"density": 2.1891109838275007,
"density_atomic": 0.04729632534502308,
"volume": 296.00608288003497,
"volume_molar": 12.732787835141405,
"formula_full": "S6 N4 Cl4",
"formula_reduced": "S3(NCl)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.665066376428572,
"spacegroup": 4
},
{
"id": "jvasp-18057",
"created_at": "2022-09-04T14:38:14.709125Z",
"updated_at": "2022-09-04T14:38:14.709146Z",
"structure_string": "Ho2 Cu2 As4\n1.0\n3.908204 0.000000 0.000000\n0.000000 3.908204 0.000000\n-0.000000 -0.000000 9.821438\nHo Cu As\n2 2 4\ndirect\n0.499999 0.000000 0.763969 Ho\n0.000000 0.499999 0.236032 Ho\n0.499999 0.499999 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.499999 0.499999 0.000000 As\n0.000000 0.499999 0.663470 As\n0.499999 0.000000 0.336531 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"As"
],
"chemical_system": "As-Cu-Ho",
"density": 8.37545315527607,
"density_atomic": 0.05332863379324331,
"volume": 150.0132186212802,
"volume_molar": 11.292508979975032,
"formula_full": "Ho2 Cu2 As4",
"formula_reduced": "HoCuAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1973273791666663,
"spacegroup": 129
},
{
"id": "jvasp-47749",
"created_at": "2022-09-04T14:38:14.708386Z",
"updated_at": "2022-09-04T14:38:14.708409Z",
"structure_string": "Li4 Cr2 Si4 O12\n1.0\n2.990309 4.948446 0.075178\n-2.990309 4.948446 -0.075178\n-0.339505 0.000000 8.912985\nLi Cr Si O\n4 2 4 12\ndirect\n0.605408 0.690503 0.884928 Li\n0.309498 0.394593 0.384928 Li\n0.690502 0.605409 0.615073 Li\n0.394592 0.309498 0.115073 Li\n0.238859 0.238860 0.750000 Cr\n0.761141 0.761141 0.250000 Cr\n0.127246 0.793216 0.639443 Si\n0.206785 0.872754 0.139443 Si\n0.793215 0.127247 0.860557 Si\n0.872754 0.206785 0.360557 Si\n0.762705 0.508443 0.409043 O\n0.491557 0.237296 0.909043 O\n0.000000 0.000000 0.000000 O\n0.131232 0.131232 0.250000 O\n-0.000000 0.000000 0.500000 O\n0.351306 0.846443 0.723559 O\n0.508443 0.762705 0.090957 O\n0.237295 0.491558 0.590958 O\n0.153558 0.648694 0.223559 O\n0.846442 0.351307 0.776442 O\n0.868768 0.868769 0.750000 O\n0.648694 0.153558 0.276442 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.742663029154481,
"density_atomic": 0.08332377007081777,
"volume": 264.03029989283925,
"volume_molar": 7.2273983220895035,
"formula_full": "Li4 Cr2 Si4 O12",
"formula_reduced": "Li2Cr(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.7396295999999998,
"spacegroup": 15
},
{
"id": "jvasp-47583",
"created_at": "2022-09-04T14:38:14.705515Z",
"updated_at": "2022-09-04T14:38:14.705543Z",
"structure_string": "Li2 Cr3 Co1 O8\n1.0\n5.795095 -0.001161 -0.000821\n2.896543 5.019280 -0.000821\n2.896543 1.672320 4.732496\nLi Cr Co O\n2 3 1 8\ndirect\n0.121876 0.121876 0.121876 Li\n0.500229 0.500230 0.500231 Li\n0.010728 0.497211 0.497211 Cr\n0.497210 0.497211 0.010729 Cr\n0.497210 0.010729 0.497211 Cr\n0.880126 0.880128 0.880129 Co\n0.258775 0.258776 0.258776 O\n0.249440 0.713590 0.249441 O\n0.249440 0.249441 0.713591 O\n0.713589 0.249441 0.249441 O\n0.282760 0.748351 0.748352 O\n0.748350 0.748351 0.282762 O\n0.748350 0.282761 0.748352 O\n0.741902 0.741903 0.741904 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.303082720305794,
"density_atomic": 0.10167996212425785,
"volume": 137.68691202787153,
"volume_molar": 5.922642607439853,
"formula_full": "Li2 Cr3 Co1 O8",
"formula_reduced": "Li2Cr3CoO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.244372221428572,
"spacegroup": 160
}
]
}