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=-nelements&page=203",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=201",
"results": [
{
"id": "jvasp-9190",
"created_at": "2022-09-04T14:37:09.967354Z",
"updated_at": "2022-09-04T14:37:09.967388Z",
"structure_string": "Ba2 Al1 Cu3 O7\n1.0\n3.691548 0.000000 0.000000\n0.000000 3.847180 0.000000\n0.000000 0.000000 11.683637\nBa Al Cu O\n2 1 3 7\ndirect\n0.500000 0.500000 0.814713 Ba\n0.500000 0.500000 0.185280 Ba\n0.500000 0.500000 0.499994 Al\n0.000000 0.000000 0.636252 Cu\n0.000000 0.000000 0.363756 Cu\n0.000000 0.000000 -0.000000 Cu\n0.000000 0.500000 -0.000004 O\n0.500000 0.000000 0.604401 O\n0.500000 0.000000 0.395723 O\n0.000000 0.500000 0.605099 O\n0.000000 0.500000 0.394793 O\n0.000000 0.000000 0.837647 O\n0.000000 0.000000 0.162350 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Ba-Cu-O",
"density": 6.047147670007674,
"density_atomic": 0.07834553864825242,
"volume": 165.93159258711637,
"volume_molar": 7.686641593004517,
"formula_full": "Ba2 Al1 Cu3 O7",
"formula_reduced": "Ba2AlCu3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 1.4570108146153844,
"spacegroup": 47
},
{
"id": "jvasp-34312",
"created_at": "2022-09-04T14:37:09.620766Z",
"updated_at": "2022-09-04T14:37:09.620788Z",
"structure_string": "Sr4 U2 Zn2 O12\n1.0\n0.000000 5.830512 -0.014398\n5.885297 0.000000 0.000000\n0.000000 -5.809668 -8.216873\nSr U Zn O\n4 2 2 12\ndirect\n0.259921 0.038040 0.251649 Sr\n0.740079 0.538040 0.248351 Sr\n0.740079 0.961961 0.748351 Sr\n0.259920 0.461961 0.751649 Sr\n0.000000 0.500000 0.000000 U\n-0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.831355 0.978846 0.252300 O\n0.674021 0.792958 0.460402 O\n0.750812 0.284835 0.457168 O\n0.168644 0.021154 0.747700 O\n0.168644 0.478846 0.247700 O\n0.249188 0.784835 0.042832 O\n0.750811 0.215165 0.957168 O\n0.325979 0.292957 0.039598 O\n0.249188 0.715166 0.542832 O\n0.831355 0.521154 0.752299 O\n0.674021 0.707043 0.960402 O\n0.325978 0.207043 0.539598 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"U",
"Zn",
"O"
],
"chemical_system": "O-Sr-U-Zn",
"density": 6.757119722989346,
"density_atomic": 0.07080937047294919,
"volume": 282.4484932773193,
"volume_molar": 8.504722919829653,
"formula_full": "Sr4 U2 Zn2 O12",
"formula_reduced": "Sr2UZnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.8212060020000005,
"spacegroup": 14
},
{
"id": "jvasp-104513",
"created_at": "2022-09-04T14:37:09.623366Z",
"updated_at": "2022-09-04T14:37:09.623385Z",
"structure_string": "Na2 Cu1 Sb1 F6\n1.0\n5.293158 -0.000000 3.056006\n1.764386 4.990437 3.056006\n-0.000000 -0.000000 6.112012\nNa Cu Sb F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.746485 0.253515 0.253515 F\n0.253515 0.253515 0.746485 F\n0.253515 0.746485 0.746485 F\n0.253515 0.746485 0.253515 F\n0.746485 0.253515 0.746485 F\n0.746486 0.746485 0.253515 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Sb",
"F"
],
"chemical_system": "Cu-F-Na-Sb",
"density": 3.5512218379096088,
"density_atomic": 0.06193874002699429,
"volume": 161.4498453736995,
"volume_molar": 9.722736945206533,
"formula_full": "Na2 Cu1 Sb1 F6",
"formula_reduced": "Na2CuSbF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10727",
"created_at": "2022-09-04T14:37:27.167624Z",
"updated_at": "2022-09-04T14:37:27.167660Z",
"structure_string": "Rb1 Cd1 N3 O6\n1.0\n5.385911 -0.014981 -0.056479\n-0.056916 5.385631 -0.056479\n-0.014865 -0.014981 5.386186\nRb Cd N O\n1 1 3 6\ndirect\n0.547628 0.547628 0.547628 Rb\n0.012111 0.012111 0.012111 Cd\n0.071504 0.464561 0.028189 N\n0.464562 0.028189 0.071504 N\n0.028190 0.071504 0.464562 N\n0.580681 0.231463 0.069675 O\n0.069675 0.580682 0.231463 O\n0.833436 0.061545 0.594637 O\n0.594636 0.833436 0.061545 O\n0.061545 0.594636 0.833436 O\n0.231463 0.069676 0.580682 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"N",
"O"
],
"chemical_system": "Cd-N-O-Rb",
"density": 3.5703770666299692,
"density_atomic": 0.07041314539336264,
"volume": 156.22082976905182,
"volume_molar": 8.552580241029348,
"formula_full": "Rb1 Cd1 N3 O6",
"formula_reduced": "RbCd(NO2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 2.915400045454545,
"spacegroup": 146
},
{
"id": "jvasp-105342",
"created_at": "2022-09-04T14:37:13.558421Z",
"updated_at": "2022-09-04T14:37:13.558450Z",
"structure_string": "Zn2 Ga1 Cu1 Se4\n1.0\n5.195031 -0.005353 -4.616770\n-1.051427 5.087522 -4.616770\n0.004364 0.005353 6.950029\nZn Ga Cu Se\n2 1 1 4\ndirect\n0.749999 0.250000 0.500000 Zn\n0.249999 0.750000 0.499999 Zn\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.125587 0.125588 0.496315 Se\n0.874412 0.370728 0.000000 Se\n0.629272 0.629273 0.503684 Se\n0.370727 0.874412 -0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se-Zn",
"density": 5.236324749100033,
"density_atomic": 0.043500488461547096,
"volume": 183.9059808965529,
"volume_molar": 13.843846294561407,
"formula_full": "Zn2 Ga1 Cu1 Se4",
"formula_reduced": "Zn2GaCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1489171302083332,
"spacegroup": 121
},
{
"id": "jvasp-51727",
"created_at": "2022-09-04T14:37:27.130181Z",
"updated_at": "2022-09-04T14:37:27.130212Z",
"structure_string": "Li8 H4 I4 O4\n1.0\n5.527022 -0.000000 0.000000\n0.000000 6.646584 0.000000\n0.000000 0.000000 10.182637\nLi H I O\n8 4 4 4\ndirect\n0.000453 0.562271 0.889543 Li\n0.499546 0.937728 0.389543 Li\n0.500453 0.437729 0.110457 Li\n-0.000453 0.062271 0.610457 Li\n-0.000453 0.437729 0.110457 Li\n0.500453 0.062271 0.610457 Li\n0.499546 0.562271 0.889543 Li\n0.000453 0.937728 0.389543 Li\n0.750000 0.275176 0.946902 H\n0.750000 0.224824 0.446902 H\n0.250000 0.724824 0.053098 H\n0.250000 0.775176 0.553098 H\n0.250000 0.417441 0.671421 I\n0.250000 0.082559 0.171421 I\n0.750000 0.582559 0.328579 I\n0.750000 0.917440 0.828579 I\n0.250000 0.914678 0.521137 O\n0.250000 0.585322 0.021137 O\n0.750000 0.085322 0.478863 O\n0.750000 0.414678 0.978864 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"I",
"O"
],
"chemical_system": "H-I-Li-O",
"density": 2.801877207452289,
"density_atomic": 0.05346628914449958,
"volume": 374.06747915396573,
"volume_molar": 11.263435066017736,
"formula_full": "Li8 H4 I4 O4",
"formula_reduced": "Li2HIO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9832799549999998,
"spacegroup": 62
},
{
"id": "jvasp-49667",
"created_at": "2022-09-04T14:37:13.501053Z",
"updated_at": "2022-09-04T14:37:13.501085Z",
"structure_string": "Mg4 Ti2 Sb2 O12\n1.0\n0.000000 5.240597 -0.004917\n7.744675 0.000000 0.000000\n0.000000 -0.128570 -5.392259\nMg Ti Sb O\n4 2 2 12\ndirect\n0.491179 0.750000 0.440024 Mg\n0.508821 0.250000 0.559976 Mg\n0.993788 0.750000 0.962771 Mg\n0.006212 0.250000 0.037230 Mg\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.339845 0.570407 0.683484 O\n0.628650 0.750000 0.075342 O\n0.660156 0.070407 0.316517 O\n0.134238 0.250000 0.418033 O\n0.185017 0.928696 0.172060 O\n0.814984 0.071303 0.827941 O\n0.185017 0.571303 0.172060 O\n0.339845 0.929592 0.683484 O\n0.865762 0.750000 0.581967 O\n0.660156 0.429592 0.316517 O\n0.814984 0.428697 0.827941 O\n0.371350 0.250000 0.924659 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb-Ti",
"density": 4.768337825720158,
"density_atomic": 0.09138303435485419,
"volume": 218.85900529782108,
"volume_molar": 6.589998682485321,
"formula_full": "Mg4 Ti2 Sb2 O12",
"formula_reduced": "Mg2TiSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.9289663533333337,
"spacegroup": 11
},
{
"id": "jvasp-28589",
"created_at": "2022-09-04T14:37:32.603950Z",
"updated_at": "2022-09-04T14:37:32.603971Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.313725 0.000000 0.000000\n-1.656863 2.869745 -0.010054\n0.000000 0.095525 26.239072\nTe Mo Se S\n2 4 2 4\ndirect\n0.333858 0.667714 0.819053 Te\n0.333977 0.667952 0.672905 Te\n0.332858 0.665714 0.012774 Mo\n0.333751 0.667501 0.488960 Mo\n0.666143 0.332285 0.255186 Mo\n0.667251 0.334498 0.745996 Mo\n0.666238 0.332473 0.948814 Se\n0.666145 0.332288 0.076748 Se\n0.332775 0.665550 0.313419 S\n0.667110 0.334216 0.430745 S\n0.667063 0.334123 0.547196 S\n0.332844 0.665687 0.196950 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 6.156626023443427,
"density_atomic": 0.04809140480273438,
"volume": 249.52483815398347,
"volume_molar": 12.522280820662557,
"formula_full": "Te2 Mo4 Se2 S4",
"formula_reduced": "TeMo2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.2320204888888884,
"spacegroup": 156
},
{
"id": "jvasp-101856",
"created_at": "2022-09-04T14:37:14.048453Z",
"updated_at": "2022-09-04T14:37:14.048476Z",
"structure_string": "H4 C4 S4 N4\n1.0\n4.381752 0.089829 -0.311855\n-0.150063 4.283119 -0.068228\n-0.258016 0.095076 10.935249\nH C S N\n4 4 4 4\ndirect\n0.227659 0.434502 0.660698 H\n0.227666 0.434490 0.160698 H\n0.883911 0.932930 0.852818 H\n0.883918 0.932918 0.352819 H\n0.966460 0.381660 0.803138 C\n0.966466 0.381650 0.303139 C\n0.144990 0.882597 0.210337 C\n0.144984 0.882606 0.710337 C\n0.356675 0.004770 0.100262 S\n0.356672 0.004781 0.600262 S\n0.754214 0.501736 0.912983 S\n0.754220 0.501724 0.412983 S\n0.109609 0.562284 0.722751 N\n0.109616 0.562274 0.222751 N\n0.002077 0.061911 0.790800 N\n0.002084 0.061901 0.290800 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.9139630856262788,
"density_atomic": 0.07802395528655667,
"volume": 205.06522568917703,
"volume_molar": 7.718322838008701,
"formula_full": "H4 C4 S4 N4",
"formula_reduced": "HCSN",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.9145508125,
"spacegroup": 4
},
{
"id": "jvasp-49193",
"created_at": "2022-09-04T14:37:06.337440Z",
"updated_at": "2022-09-04T14:37:06.337465Z",
"structure_string": "Sm4 Be4 Ge2 O14\n1.0\n7.553194 0.000000 -0.000000\n0.000000 7.553194 0.000000\n-0.000000 0.000000 4.877827\nSm Be Ge O\n4 4 2 14\ndirect\n0.658726 0.841273 0.504173 Sm\n0.158726 0.658726 0.495827 Sm\n0.841273 0.341274 0.495827 Sm\n0.341274 0.158726 0.504173 Sm\n0.365547 0.865547 0.044144 Be\n0.865547 0.634452 0.955857 Be\n0.634452 0.134452 0.044144 Be\n0.134452 0.365547 0.955857 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.857902 0.642098 0.281821 O\n0.357902 0.857902 0.718180 O\n0.642098 0.142098 0.718180 O\n0.142098 0.357902 0.281821 O\n0.500000 0.000000 0.176662 O\n0.000000 0.500000 0.823339 O\n0.173215 0.920850 0.211280 O\n0.326785 0.420850 0.788721 O\n0.420850 0.673215 0.211280 O\n0.579149 0.326785 0.211280 O\n0.079150 0.173215 0.788721 O\n0.920850 0.826784 0.788721 O\n0.673215 0.579149 0.788721 O\n0.826784 0.079150 0.211280 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"Be",
"Ge",
"O"
],
"chemical_system": "Be-Ge-O-Sm",
"density": 6.007413397959323,
"density_atomic": 0.08624294325238395,
"volume": 278.28363799882936,
"volume_molar": 6.982763496807646,
"formula_full": "Sm4 Be4 Ge2 O14",
"formula_reduced": "Sm2Be2GeO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.224652533333333,
"spacegroup": 113
},
{
"id": "jvasp-34790",
"created_at": "2022-09-04T14:37:13.926930Z",
"updated_at": "2022-09-04T14:37:13.926954Z",
"structure_string": "Sr1 H12 Cl2 O6\n1.0\n3.967803 -6.872437 -0.000000\n3.967803 6.872437 0.000000\n0.000000 -0.000000 4.053107\nSr H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.551116 0.900850 0.898177 H\n0.099149 0.650266 0.898177 H\n0.448883 0.349733 0.101824 H\n0.650266 0.099149 0.101824 H\n0.900850 0.551116 0.101824 H\n0.349733 0.448883 0.898177 H\n0.114219 0.357340 0.482199 H\n0.243120 0.885780 0.482199 H\n0.756879 0.642659 0.517802 H\n0.357340 0.114219 0.517802 H\n0.885780 0.243120 0.517802 H\n0.642659 0.756879 0.482199 H\n0.666667 0.333332 0.421264 Cl\n0.333332 0.666667 0.578737 Cl\n-0.000000 0.674062 0.000000 O\n0.224595 -0.000000 0.500000 O\n-0.000000 0.224595 0.500000 O\n0.775405 0.775405 0.500000 O\n0.674062 -0.000000 0.000000 O\n0.325937 0.325937 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.002899273457158,
"density_atomic": 0.09500366535993014,
"volume": 221.04410309264978,
"volume_molar": 6.338850966628039,
"formula_full": "Sr1 H12 Cl2 O6",
"formula_reduced": "SrH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.654768830714286,
"spacegroup": 150
},
{
"id": "jvasp-41399",
"created_at": "2022-09-04T14:37:28.119556Z",
"updated_at": "2022-09-04T14:37:28.119582Z",
"structure_string": "Ba8 Bi4 H2 O1\n1.0\n-5.277575 -0.000000 -0.000000\n-0.000000 -5.277575 -0.000000\n2.638789 2.638789 19.191023\nBa Bi H O\n8 4 2 1\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.000000 Ba\n0.083745 0.083745 0.167490 Ba\n0.659727 0.659727 0.319455 Ba\n0.750001 0.250000 0.500000 Ba\n0.250000 0.750001 0.500000 Ba\n0.340273 0.340273 0.680544 Ba\n0.916256 0.916256 0.832511 Ba\n0.567296 0.567296 0.134591 Bi\n0.179044 0.179044 0.358088 Bi\n0.820955 0.820955 0.641911 Bi\n0.432704 0.432704 0.865408 Bi\n0.729283 0.729283 0.458565 H\n0.270717 0.270717 0.541434 H\n0.000000 0.000000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"H",
"O"
],
"chemical_system": "Ba-Bi-H-O",
"density": 6.065756166465833,
"density_atomic": 0.028062367352825926,
"volume": 534.5236847414257,
"volume_molar": 21.4598457937782,
"formula_full": "Ba8 Bi4 H2 O1",
"formula_reduced": "Ba8Bi4H2O",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 0.6818938973333332,
"spacegroup": 139
}
]
}