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=398",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=396",
"results": [
{
"id": "jvasp-113041",
"created_at": "2022-09-04T14:38:43.670326Z",
"updated_at": "2022-09-04T14:38:43.670337Z",
"structure_string": "Ba6 Zr2 Ir4 O18\n1.0\n5.849788 0.000000 0.000000\n-2.924894 5.066064 0.000000\n-0.000000 -0.000000 14.547022\nBa Zr Ir O\n6 2 4 18\ndirect\n0.333334 0.666666 0.093544 Ba\n0.666667 0.333333 0.906456 Ba\n0.666667 0.333333 0.593544 Ba\n0.333334 0.666666 0.406456 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333334 0.666666 0.839280 Ir\n0.666667 0.333333 0.160720 Ir\n0.666667 0.333333 0.339280 Ir\n0.333334 0.666666 0.660720 Ir\n0.017058 0.508528 0.750000 O\n0.982943 0.491471 0.250000 O\n0.491472 0.982941 0.750000 O\n0.508529 0.017058 0.250000 O\n0.169135 0.830864 0.918165 O\n0.830865 0.169135 0.081834 O\n0.661731 0.830864 0.918165 O\n0.830865 0.169135 0.418166 O\n0.661731 0.830864 0.581834 O\n0.169135 0.830864 0.581834 O\n0.169135 0.338270 0.918165 O\n0.338270 0.169135 0.418166 O\n0.830866 0.661729 0.081834 O\n0.508529 0.491471 0.250000 O\n0.830866 0.661729 0.418166 O\n0.169135 0.338270 0.581834 O\n0.338270 0.169135 0.081834 O\n0.491472 0.508528 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O-Zr",
"density": 7.947301270672153,
"density_atomic": 0.06958832127606236,
"volume": 431.106821516611,
"volume_molar": 8.653953205897427,
"formula_full": "Ba6 Zr2 Ir4 O18",
"formula_reduced": "Ba3ZrIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.696693074,
"spacegroup": 194
},
{
"id": "jvasp-112776",
"created_at": "2022-09-04T14:38:43.668941Z",
"updated_at": "2022-09-04T14:38:43.668959Z",
"structure_string": "Ni4 P4 O16\n1.0\n4.878494 -0.000000 0.000000\n0.000000 6.640191 0.000000\n-0.000000 -0.000000 9.973245\nNi P O\n4 4 16\ndirect\n0.161288 0.292665 0.336522 Ni\n0.661287 0.792665 0.163478 Ni\n0.838711 0.792665 0.663478 Ni\n0.338712 0.292665 0.836523 Ni\n0.841269 0.037301 0.914104 P\n0.341269 0.537301 0.585896 P\n0.658730 0.037301 0.414104 P\n0.158731 0.537301 0.085896 P\n0.154877 0.060677 0.893829 O\n0.345122 0.060677 0.393828 O\n0.206976 0.731480 0.641542 O\n0.230040 0.514386 0.935516 O\n0.257126 0.343367 0.159253 O\n0.742873 0.843367 0.840747 O\n0.769960 0.014386 0.064484 O\n0.706976 0.231480 0.858459 O\n0.293024 0.731480 0.141542 O\n0.242873 0.343367 0.659254 O\n0.757126 0.843367 0.340747 O\n0.845122 0.560677 0.106172 O\n0.654877 0.560677 0.606172 O\n0.269960 0.514386 0.435516 O\n0.730039 0.014386 0.564485 O\n0.793023 0.231480 0.358459 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 3.1592248847828106,
"density_atomic": 0.07428624509982948,
"volume": 323.0746145231547,
"volume_molar": 8.10667001933824,
"formula_full": "Ni4 P4 O16",
"formula_reduced": "NiPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2716519833333337,
"spacegroup": 33
},
{
"id": "jvasp-114763",
"created_at": "2022-09-04T14:38:43.664525Z",
"updated_at": "2022-09-04T14:38:43.664551Z",
"structure_string": "Ag1 Sb1 S2\n1.0\n2.016394 1.164165 7.703042\n-2.016394 1.164165 7.703042\n0.000000 -2.328331 7.703042\nAg Sb S\n1 1 2\ndirect\n0.500002 0.500002 0.499997 Ag\n0.000000 0.000000 0.000000 Sb\n0.398199 0.398199 0.398195 S\n0.601805 0.601805 0.601799 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-S-Sb",
"density": 4.496095429255713,
"density_atomic": 0.036868580423937036,
"volume": 108.49346391983642,
"volume_molar": 16.33407278163091,
"formula_full": "Ag1 Sb1 S2",
"formula_reduced": "AgSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.24424834,
"spacegroup": 166
},
{
"id": "jvasp-116592",
"created_at": "2022-09-04T14:38:43.661632Z",
"updated_at": "2022-09-04T14:38:43.661651Z",
"structure_string": "Sm4 Si10 Rh6\n1.0\n7.910689 -0.007716 -2.210595\n-1.558547 5.227636 -6.140728\n-0.018210 0.007716 8.213732\nSm Si Rh\n4 10 6\ndirect\n0.636348 0.868767 0.767582 Sm\n0.363652 0.131234 0.232417 Sm\n0.101184 0.368767 0.732418 Sm\n0.898816 0.631234 0.267582 Sm\n0.000000 0.250000 0.250000 Si\n0.000000 0.750001 0.750000 Si\n0.238779 0.894378 0.344401 Si\n0.761221 0.105623 0.655598 Si\n0.549976 0.394377 0.155599 Si\n0.276611 0.526611 0.250000 Si\n0.723389 0.473389 0.750000 Si\n0.723389 0.973390 0.250000 Si\n0.276611 0.026611 0.750000 Si\n0.450024 0.605624 0.844401 Si\n0.500000 0.750000 0.250000 Rh\n0.248110 0.639287 0.608823 Rh\n0.751890 0.360714 0.391177 Rh\n0.030464 0.139287 0.891178 Rh\n0.969536 0.860714 0.108822 Rh\n0.500000 0.250000 0.750000 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Sm",
"density": 7.329674046298023,
"density_atomic": 0.058864445882159167,
"volume": 339.76366718949555,
"volume_molar": 10.23052314474468,
"formula_full": "Sm4 Si10 Rh6",
"formula_reduced": "Sm2Si5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.190998975,
"spacegroup": 72
},
{
"id": "jvasp-117199",
"created_at": "2022-09-04T14:38:43.660875Z",
"updated_at": "2022-09-04T14:38:43.660896Z",
"structure_string": "Na2 Eu2 Ti4 O12\n1.0\n5.395436 -0.000000 0.000000\n0.000000 5.491934 0.000000\n-0.000000 -0.000000 7.694746\nNa Eu Ti O\n2 2 4 12\ndirect\n0.499044 0.775851 0.500000 Na\n0.999044 0.224148 -0.000000 Na\n0.008380 0.297658 0.500000 Eu\n0.508381 0.702341 -0.000000 Eu\n0.508587 0.240968 0.751683 Ti\n0.008587 0.759031 0.251683 Ti\n0.508587 0.240968 0.248317 Ti\n0.008587 0.759031 0.748317 Ti\n0.783756 0.461400 0.217079 O\n0.700975 0.953346 0.788963 O\n0.783756 0.461400 0.782922 O\n0.700975 0.953346 0.211038 O\n0.200975 0.046654 0.288962 O\n0.933074 0.735090 0.500000 O\n0.072869 0.767729 -0.000000 O\n0.433074 0.264909 -0.000000 O\n0.283755 0.538599 0.282922 O\n0.572870 0.232270 0.500000 O\n0.283755 0.538599 0.717079 O\n0.200975 0.046654 0.711038 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Eu",
"Ti",
"O"
],
"chemical_system": "Eu-Na-O-Ti",
"density": 5.341031146036388,
"density_atomic": 0.08771701663381554,
"volume": 228.0059305196417,
"volume_molar": 6.865419038520312,
"formula_full": "Na2 Eu2 Ti4 O12",
"formula_reduced": "NaEuTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3947066666666674,
"spacegroup": 31
},
{
"id": "jvasp-115367",
"created_at": "2022-09-04T14:38:43.660322Z",
"updated_at": "2022-09-04T14:38:43.660343Z",
"structure_string": "Ti1 P1 S4\n1.0\n-2.966655 2.747172 4.618031\n2.966655 -2.747172 4.618031\n2.966655 2.747172 -4.618031\nTi P S\n1 1 4\ndirect\n-0.000000 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 P\n0.661393 0.651764 0.560497 S\n0.338607 0.899104 -0.009628 S\n0.908733 0.348236 0.009629 S\n0.091267 0.100898 0.439505 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"P",
"S"
],
"chemical_system": "P-S-Ti",
"density": 2.284341678304194,
"density_atomic": 0.03985488127398534,
"volume": 150.54617673435166,
"volume_molar": 15.110171119568381,
"formula_full": "Ti1 P1 S4",
"formula_reduced": "TiPS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.555722305555556,
"spacegroup": 23
},
{
"id": "jvasp-112831",
"created_at": "2022-09-04T14:38:43.655941Z",
"updated_at": "2022-09-04T14:38:43.655965Z",
"structure_string": "Ti1 Mn3 O8\n1.0\n4.872974 -0.127417 2.701160\n1.532426 4.627503 2.701160\n-0.181365 -0.127417 5.568594\nTi Mn O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.499999 0.000000 Mn\n0.499999 -0.000001 0.500000 Mn\n0.000000 0.499999 0.500000 Mn\n0.738175 0.738174 0.738175 O\n0.242735 0.242735 0.730236 O\n0.242736 0.730235 0.242735 O\n0.261825 0.261825 0.261825 O\n0.730235 0.242735 0.242736 O\n0.757265 0.757264 0.269765 O\n0.757264 0.269763 0.757265 O\n0.269764 0.757263 0.757265 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ti",
"density": 4.347020152483428,
"density_atomic": 0.092210809725396,
"volume": 130.1365863257901,
"volume_molar": 6.5308403406649935,
"formula_full": "Ti1 Mn3 O8",
"formula_reduced": "TiMn3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.4700548381226053,
"spacegroup": 166
},
{
"id": "jvasp-113035",
"created_at": "2022-09-04T14:38:43.650839Z",
"updated_at": "2022-09-04T14:38:43.650867Z",
"structure_string": "Ca6 Fe4 Br4 O10\n1.0\n5.303862 0.000025 1.112485\n-0.000019 5.417853 -0.000021\n0.082675 0.000050 12.800695\nCa Fe Br O\n6 4 4 10\ndirect\n0.499974 -0.000013 0.000002 Ca\n0.000027 0.500022 0.000002 Ca\n0.138804 0.499997 0.722243 Ca\n0.638810 0.000002 0.722243 Ca\n0.361194 0.000003 0.277758 Ca\n0.861188 0.499998 0.277758 Ca\n0.425175 0.500004 0.149742 Fe\n0.074823 -0.000004 0.850259 Fe\n0.925189 -0.000003 0.149743 Fe\n0.574811 0.500003 0.850259 Fe\n0.695222 0.499995 0.609466 Br\n0.195204 0.000004 0.609467 Br\n0.804780 0.000005 0.390532 Br\n0.304798 0.499995 0.390532 Br\n0.499908 0.500062 -0.000000 O\n0.000089 0.999935 0.000002 O\n0.668541 0.250000 0.163006 O\n0.168516 0.749998 0.163057 O\n0.831456 0.250001 0.836994 O\n0.331483 0.750000 0.836943 O\n0.168527 0.250000 0.163036 O\n0.668530 0.750000 0.163027 O\n0.331472 0.249999 0.836964 O\n0.831467 0.749998 0.836974 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Br",
"O"
],
"chemical_system": "Br-Ca-Fe-O",
"density": 4.264885958878164,
"density_atomic": 0.06533516551728885,
"volume": 367.3366373220432,
"volume_molar": 9.217303901076724,
"formula_full": "Ca6 Fe4 Br4 O10",
"formula_reduced": "Ca3Fe2Br2O5",
"formula_anonymous": "A2B2C3D5",
"energy_above_hull": 1.5862148308333337,
"spacegroup": 139
},
{
"id": "jvasp-113766",
"created_at": "2022-09-04T14:38:43.648193Z",
"updated_at": "2022-09-04T14:38:43.648213Z",
"structure_string": "Yb1 Dy1 Pt2\n1.0\n4.215849 -0.000000 2.434022\n1.405283 3.974741 2.434022\n-0.000000 -0.000000 4.868043\nYb Dy Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Dy\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.749999 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Dy",
"Pt"
],
"chemical_system": "Dy-Pt-Yb",
"density": 14.772796674675664,
"density_atomic": 0.04903562370788294,
"volume": 81.57334805872902,
"volume_molar": 12.281154606853475,
"formula_full": "Yb1 Dy1 Pt2",
"formula_reduced": "YbDyPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1386375000000002,
"spacegroup": 225
},
{
"id": "jvasp-116646",
"created_at": "2022-09-04T14:38:43.642718Z",
"updated_at": "2022-09-04T14:38:43.642747Z",
"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.609583 0.000000 0.000000\n-0.000000 4.567475 3.230451\n-0.000000 -0.004936 9.673815\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.222434 0.245558 0.250187 Sr\n0.777566 0.245558 0.750187 Sr\n0.284808 0.756288 0.750925 La\n0.715191 0.756288 0.250925 La\n0.753299 0.499945 0.000491 Mg\n0.246700 0.499945 0.500492 Mg\n0.750905 -0.000142 0.500174 Ru\n0.249095 -0.000142 0.000174 Ru\n0.240381 0.319357 0.755809 O\n0.759618 0.319358 0.255809 O\n0.522228 0.818561 0.965566 O\n0.477772 0.818562 0.465565 O\n0.968114 0.167369 0.038037 O\n0.042461 0.757855 0.962026 O\n0.466435 0.239133 0.032735 O\n0.533565 0.239132 0.532736 O\n0.734636 0.696076 0.744052 O\n0.957539 0.757856 0.462026 O\n0.031886 0.167369 0.538037 O\n0.265363 0.696076 0.244052 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mg",
"Ru",
"O"
],
"chemical_system": "La-Mg-O-Ru-Sr",
"density": 5.999235150325747,
"density_atomic": 0.08066195805317093,
"volume": 247.94835735101242,
"volume_molar": 7.465899545892888,
"formula_full": "Sr2 La2 Mg2 Ru2 O12",
"formula_reduced": "SrLaMgRuO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.058627186,
"spacegroup": 7
},
{
"id": "jvasp-112060",
"created_at": "2022-09-04T14:38:43.641476Z",
"updated_at": "2022-09-04T14:38:43.641502Z",
"structure_string": "Sn1 H6 C4 O6\n1.0\n4.875641 -0.138950 0.468789\n0.761131 5.066481 0.859974\n-0.097953 0.150295 6.598123\nSn H C O\n1 6 4 6\ndirect\n0.012998 0.821169 0.692724 Sn\n0.344401 0.176693 0.069534 H\n0.230277 0.485503 0.142181 H\n0.681567 0.465628 0.315973 H\n0.795731 0.156842 0.243296 H\n-0.023436 0.157789 0.917400 H\n0.049449 0.484558 0.468045 H\n0.416354 0.355495 0.103959 C\n0.609639 0.286828 0.281522 C\n0.543346 0.493726 0.905567 C\n0.482633 0.148564 0.479893 C\n0.042345 0.968256 0.944370 O\n0.983654 0.674086 0.441073 O\n0.627430 0.062526 0.636217 O\n0.222656 0.128563 0.490563 O\n0.803320 0.513740 0.894870 O\n0.398516 0.579710 0.749251 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.732383111234118,
"density_atomic": 0.10406801177437407,
"volume": 163.35471111773577,
"volume_molar": 5.786735671530246,
"formula_full": "Sn1 H6 C4 O6",
"formula_reduced": "SnH6(C2O3)2",
"formula_anonymous": "AB4C6D6",
"energy_above_hull": 3.963532511764705,
"spacegroup": 2
},
{
"id": "jvasp-114778",
"created_at": "2022-09-04T14:38:43.639784Z",
"updated_at": "2022-09-04T14:38:43.639814Z",
"structure_string": "Rb1 Na1 Cl1\n1.0\n5.321951 -0.031492 0.000000\n0.037726 6.398634 0.000000\n0.000000 0.000000 4.327635\nRb Na Cl\n1 1 1\ndirect\n-0.075915 0.450431 0.000000 Rb\n0.423978 -0.049553 0.000000 Na\n-0.076036 -0.049559 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Cl"
],
"chemical_system": "Cl-Na-Rb",
"density": 1.6215034292992594,
"density_atomic": 0.0203562294547767,
"volume": 147.37503360653236,
"volume_molar": 29.583773229608948,
"formula_full": "Rb1 Na1 Cl1",
"formula_reduced": "RbNaCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 47
}
]
}