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=updated_at&page=427",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=425",
"results": [
{
"id": "jvasp-38246",
"created_at": "2022-09-04T14:35:54.780083Z",
"updated_at": "2022-09-04T14:35:54.780100Z",
"structure_string": "Rb3 Ge1\n1.0\n-3.119059 3.119059 4.421188\n3.119059 -3.119059 4.421188\n3.119059 3.119059 -4.421188\nRb Ge\n3 1\ndirect\n0.750001 0.250000 0.500001 Rb\n0.250000 0.750001 0.500001 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ge"
],
"chemical_system": "Ge-Rb",
"density": 3.1758218162621374,
"density_atomic": 0.02324951178211595,
"volume": 172.0466234941282,
"volume_molar": 25.902224599109076,
"formula_full": "Rb3 Ge1",
"formula_reduced": "Rb3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93791",
"created_at": "2022-09-04T14:35:54.782499Z",
"updated_at": "2022-09-04T14:35:54.782525Z",
"structure_string": "Ce1 Ir5\n1.0\n-3.726829 -3.726829 0.000000\n-3.726829 -0.000000 -3.726829\n0.000000 -3.726829 -3.726829\nCe Ir\n1 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Ir\n0.871466 0.376178 0.376178 Ir\n0.376178 0.871466 0.376178 Ir\n0.376178 0.376178 0.871466 Ir\n0.376178 0.376178 0.376178 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Ir"
],
"chemical_system": "Ce-Ir",
"density": 17.663115147011567,
"density_atomic": 0.05795659414338574,
"volume": 103.52575213712323,
"volume_molar": 10.390777527577114,
"formula_full": "Ce1 Ir5",
"formula_reduced": "CeIr5",
"formula_anonymous": "AB5",
"energy_above_hull": 4.6601035,
"spacegroup": 216
},
{
"id": "jvasp-75815",
"created_at": "2022-09-04T14:35:54.786050Z",
"updated_at": "2022-09-04T14:35:54.786071Z",
"structure_string": "Mn1 Nb2 As1\n1.0\n0.000000 3.160352 3.160352\n3.160352 0.000000 3.160352\n3.160352 3.160352 0.000000\nMn Nb As\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"As"
],
"chemical_system": "As-Mn-Nb",
"density": 8.303273622719656,
"density_atomic": 0.06336123367146146,
"volume": 63.13008393650708,
"volume_molar": 9.504456291406512,
"formula_full": "Mn1 Nb2 As1",
"formula_reduced": "MnNb2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.414834447844827,
"spacegroup": 216
},
{
"id": "jvasp-95556",
"created_at": "2022-09-04T14:35:54.788752Z",
"updated_at": "2022-09-04T14:35:54.788769Z",
"structure_string": "Ba8 H16 O16\n1.0\n9.361918 0.000000 -0.894328\n0.000000 7.897706 0.000000\n0.044436 0.000000 6.792637\nBa H O\n8 16 16\ndirect\n0.895108 0.144782 0.251655 Ba\n0.395108 0.355219 0.751656 Ba\n0.104893 0.855219 0.748345 Ba\n0.604893 0.644782 0.248345 Ba\n0.317909 0.050266 0.281624 Ba\n0.817909 0.449734 0.781624 Ba\n0.682092 0.949734 0.718376 Ba\n0.182091 0.550266 0.218376 Ba\n0.092638 0.238554 0.555461 H\n0.592638 0.261446 0.055461 H\n0.907363 0.761446 0.444539 H\n0.407363 0.738555 0.944539 H\n0.120398 0.274177 0.936530 H\n0.379602 0.774177 0.563470 H\n0.879602 0.725823 0.063470 H\n0.620398 0.225823 0.436530 H\n0.977020 0.148819 0.780830 H\n0.522981 0.648818 0.719170 H\n0.022981 0.851183 0.219170 H\n0.882508 0.539997 0.313270 H\n0.382508 0.960004 0.813270 H\n0.117492 0.460003 0.686731 H\n0.617492 0.039997 0.186730 H\n0.477019 0.351181 0.280830 H\n0.841087 0.702179 0.525724 O\n0.341087 0.797822 0.025724 O\n0.605519 0.339883 0.490602 O\n0.105519 0.160118 0.990603 O\n0.394482 0.660118 0.509398 O\n0.894481 0.839883 0.009397 O\n0.417293 0.361553 0.152341 O\n0.880651 0.494084 0.177819 O\n0.582708 0.638448 0.847659 O\n0.082708 0.861553 0.347659 O\n0.380651 0.005917 0.677821 O\n0.119349 0.505917 0.822180 O\n0.619349 0.994084 0.322180 O\n0.658914 0.202178 0.974276 O\n0.917293 0.138448 0.652341 O\n0.158914 0.297822 0.474276 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 4.529253058039925,
"density_atomic": 0.07959475902945158,
"volume": 502.54565109241975,
"volume_molar": 7.566001623010999,
"formula_full": "Ba8 H16 O16",
"formula_reduced": "Ba(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6921185940000003,
"spacegroup": 14
},
{
"id": "jvasp-91588",
"created_at": "2022-09-04T14:35:54.795002Z",
"updated_at": "2022-09-04T14:35:54.795027Z",
"structure_string": "Sr2 Tl4 Pd2\n1.0\n4.411159 0.000000 -0.000000\n-2.205579 5.607978 -0.000000\n-0.000000 -0.000000 8.493161\nSr Tl Pd\n2 4 2\ndirect\n0.434560 0.869119 0.750000 Sr\n0.565440 0.130882 0.250000 Sr\n0.144567 0.289135 0.950244 Tl\n0.855433 0.710865 0.049756 Tl\n0.144567 0.289135 0.549756 Tl\n0.855433 0.710865 0.450244 Tl\n0.280036 0.560073 0.250000 Pd\n0.719964 0.439928 0.750000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Pd"
],
"chemical_system": "Pd-Sr-Tl",
"density": 9.5285917813771,
"density_atomic": 0.03807690292167486,
"volume": 210.10112131378438,
"volume_molar": 15.815731579818072,
"formula_full": "Sr2 Tl4 Pd2",
"formula_reduced": "SrTl2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-15811",
"created_at": "2022-09-04T14:35:54.795401Z",
"updated_at": "2022-09-04T14:35:54.795425Z",
"structure_string": "Cu4 As2\n1.0\n3.837132 0.000000 0.000000\n0.000000 3.837132 -0.000000\n0.000000 0.000000 5.958115\nCu As\n4 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.299041 Cu\n0.500000 0.000000 0.700958 Cu\n0.000000 0.500000 0.711202 As\n0.500000 0.000000 0.288797 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"As"
],
"chemical_system": "As-Cu",
"density": 7.647814417896535,
"density_atomic": 0.0683957143680125,
"volume": 87.72479468108452,
"volume_molar": 8.804851028526505,
"formula_full": "Cu4 As2",
"formula_reduced": "Cu2As",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4512675500000001,
"spacegroup": 129
},
{
"id": "jvasp-70962",
"created_at": "2022-09-04T14:35:54.795765Z",
"updated_at": "2022-09-04T14:35:54.795784Z",
"structure_string": "Be1 Ge1 Sb2\n1.0\n3.750062 0.000000 0.000000\n0.000000 3.750062 0.000000\n-0.000000 0.000000 6.770662\nBe Ge Sb\n1 1 2\ndirect\n0.000000 0.000000 0.506119 Be\n0.500000 0.500000 0.748516 Ge\n0.000000 0.000000 0.892920 Sb\n0.500000 0.500000 0.352444 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"Sb"
],
"chemical_system": "Be-Ge-Sb",
"density": 5.670932172416296,
"density_atomic": 0.042009930350690866,
"volume": 95.21558275885641,
"volume_molar": 14.33504104798156,
"formula_full": "Be1 Ge1 Sb2",
"formula_reduced": "BeGeSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5590435625,
"spacegroup": 99
},
{
"id": "jvasp-71900",
"created_at": "2022-09-04T14:35:54.798991Z",
"updated_at": "2022-09-04T14:35:54.799015Z",
"structure_string": "Na1 Be1 Pb1\n1.0\n1.743660 -3.020107 -0.000000\n1.743660 3.020107 0.000000\n-0.000000 -0.000000 6.884561\nNa Be Pb\n1 1 1\ndirect\n0.666667 0.333333 0.691395 Na\n0.000000 0.000000 0.022074 Be\n0.333333 0.666667 0.286529 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Be",
"Pb"
],
"chemical_system": "Be-Na-Pb",
"density": 5.478017720337224,
"density_atomic": 0.04137432027520897,
"volume": 72.50874407228791,
"volume_molar": 14.555262104471115,
"formula_full": "Na1 Be1 Pb1",
"formula_reduced": "NaBePb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5769853066666666,
"spacegroup": 156
},
{
"id": "jvasp-94086",
"created_at": "2022-09-04T14:35:54.799297Z",
"updated_at": "2022-09-04T14:35:54.799322Z",
"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.054956 -0.139272 0.000000\n-3.148091 5.452653 0.000000\n0.000000 0.000000 4.704133\nMg Ga Ni\n6 1 1\ndirect\n0.676717 0.336150 0.250000 Mg\n0.676717 0.840566 0.250000 Mg\n0.318603 0.171839 0.750000 Mg\n0.318603 0.646763 0.750000 Mg\n0.844358 0.172178 0.750000 Mg\n0.835632 0.667816 0.750000 Mg\n0.171464 0.835731 0.250000 Ga\n0.157911 0.328955 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Ni"
],
"chemical_system": "Ga-Mg-Ni",
"density": 2.971649465645792,
"density_atomic": 0.052203248983927183,
"volume": 153.24716671299737,
"volume_molar": 11.535950112710708,
"formula_full": "Mg6 Ga1 Ni1",
"formula_reduced": "Mg6GaNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00016125,
"spacegroup": 38
},
{
"id": "jvasp-85691",
"created_at": "2022-09-04T14:35:54.802438Z",
"updated_at": "2022-09-04T14:35:54.802453Z",
"structure_string": "Na2 Hf1 H6 O6\n1.0\n2.986175 1.723998 4.719139\n-2.986171 1.724068 4.719118\n0.000062 -3.447979 4.719106\nNa Hf H O\n2 1 6 6\ndirect\n0.168028 0.168018 0.168030 Na\n0.831972 0.831984 0.831970 Na\n0.500000 0.500001 0.500000 Hf\n0.077485 0.646998 0.325024 H\n0.646979 0.325041 0.077483 H\n0.325032 0.077490 0.646967 H\n0.922515 0.353004 0.674976 H\n0.353020 0.674961 0.922517 H\n0.674968 0.922511 0.353033 H\n0.128188 0.712646 0.414211 O\n0.712651 0.414225 0.128164 O\n0.414206 0.128190 0.712633 O\n0.871812 0.287355 0.585789 O\n0.287349 0.585777 0.871836 O\n0.585794 0.871811 0.287367 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Hf",
"H",
"O"
],
"chemical_system": "H-Hf-Na-O",
"density": 3.71950157936112,
"density_atomic": 0.10290243750879545,
"volume": 145.76914175349728,
"volume_molar": 5.852281934026359,
"formula_full": "Na2 Hf1 H6 O6",
"formula_reduced": "Na2Hf(HO)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 2.6965528,
"spacegroup": 148
},
{
"id": "jvasp-97432",
"created_at": "2022-09-04T14:35:54.803365Z",
"updated_at": "2022-09-04T14:35:54.803391Z",
"structure_string": "K2 Cu2 Bi4 S8\n1.0\n4.038898 -0.000000 0.000000\n-2.019449 6.862220 -0.000000\n0.000000 -0.000000 14.291123\nK Cu Bi S\n2 2 4 8\ndirect\n0.111267 0.222533 0.995906 K\n0.888734 0.777467 0.495906 K\n0.148476 0.296952 0.520880 Cu\n0.851524 0.703048 0.020881 Cu\n0.352551 0.705102 0.200857 Bi\n0.647449 0.294898 0.700856 Bi\n0.377592 0.755185 0.820415 Bi\n0.622408 0.244815 0.320416 Bi\n0.984255 0.968510 0.272512 S\n0.015745 0.031490 0.772512 S\n0.568025 0.136049 0.505564 S\n0.726843 0.453686 0.139092 S\n0.256425 0.512850 0.370473 S\n0.431976 0.863951 0.005564 S\n0.743575 0.487149 0.870473 S\n0.273157 0.546314 0.639092 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Cu",
"Bi",
"S"
],
"chemical_system": "Bi-Cu-K-S",
"density": 5.440510202378593,
"density_atomic": 0.0403948595863915,
"volume": 396.0900016444219,
"volume_molar": 14.908185897070876,
"formula_full": "K2 Cu2 Bi4 S8",
"formula_reduced": "KCu(BiS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.08866338125,
"spacegroup": 36
},
{
"id": "jvasp-90595",
"created_at": "2022-09-04T14:35:54.804807Z",
"updated_at": "2022-09-04T14:35:54.804835Z",
"structure_string": "Mg6 Ga2\n1.0\n6.137860 0.000000 -0.000000\n-3.068930 5.315543 0.000000\n0.000000 -0.000000 5.004655\nMg Ga\n6 2\ndirect\n0.661777 0.830888 0.749999 Mg\n0.169111 0.338222 0.749999 Mg\n0.169111 0.830888 0.749999 Mg\n0.830889 0.661777 0.250000 Mg\n0.830889 0.169111 0.250000 Mg\n0.338222 0.169111 0.250000 Mg\n0.666667 0.333333 0.749999 Ga\n0.333333 0.666667 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 2.9011860161751244,
"density_atomic": 0.04899493982357567,
"volume": 163.28216809341836,
"volume_molar": 12.291352498206829,
"formula_full": "Mg6 Ga2",
"formula_reduced": "Mg3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 0.092511,
"spacegroup": 194
}
]
}