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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3549",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3547",
"results": [
{
"id": "jvasp-97782",
"created_at": "2022-09-04T14:35:52.801674Z",
"updated_at": "2022-09-04T14:35:52.801706Z",
"structure_string": "Rb8 Tc12 S26\n1.0\n9.658463 -0.070566 -0.824221\n-4.874681 8.338367 -0.824221\n0.018340 0.031697 14.011694\nRb Tc S\n8 12 26\ndirect\n0.696169 0.754413 0.336927 Rb\n0.626934 0.902069 0.617215 Rb\n0.097932 0.373067 0.882785 Rb\n0.373066 0.097932 0.382785 Rb\n0.902068 0.626933 0.117215 Rb\n0.754413 0.696169 0.836927 Rb\n0.303832 0.245587 0.663073 Rb\n0.245587 0.303832 0.163073 Rb\n0.317313 0.014509 0.978451 Tc\n0.398950 0.842466 0.075547 Tc\n0.682688 0.985491 0.021549 Tc\n0.014509 0.317313 0.478451 Tc\n0.426041 0.844788 0.891269 Tc\n0.155213 0.573959 0.608731 Tc\n0.573959 0.155212 0.108731 Tc\n0.844787 0.426041 0.391269 Tc\n0.842466 0.398950 0.575547 Tc\n0.601050 0.157534 0.924453 Tc\n0.985491 0.682688 0.521549 Tc\n0.157535 0.601050 0.424453 Tc\n0.303129 0.004093 0.148058 S\n0.503019 0.694974 0.991417 S\n0.305027 0.496982 0.508583 S\n0.639462 0.360538 0.250000 S\n0.004094 0.303129 0.648058 S\n0.360538 0.639462 0.750000 S\n0.254332 0.639179 0.177595 S\n0.360821 0.745668 0.322405 S\n0.745668 0.360821 0.822405 S\n0.639179 0.254332 0.677595 S\n0.923385 0.955951 0.054314 S\n0.044049 0.076615 0.445686 S\n0.076615 0.044049 0.945686 S\n0.955951 0.923385 0.554314 S\n0.645267 0.984722 0.188763 S\n0.015278 0.354734 0.311237 S\n0.354733 0.015278 0.811237 S\n0.984722 0.645267 0.688763 S\n0.833922 0.274884 0.050160 S\n0.725115 0.166077 0.449840 S\n0.166078 0.725116 0.949840 S\n0.274885 0.833923 0.550160 S\n0.496981 0.305027 0.008583 S\n0.694973 0.503018 0.491417 S\n0.696871 0.995907 0.851942 S\n0.995907 0.696871 0.351942 S\n",
"nsites": 46,
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],
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"density_atomic": 0.04092053150397464,
"volume": 1124.1300713685007,
"volume_molar": 14.71667287463034,
"formula_full": "Rb8 Tc12 S26",
"formula_reduced": "Rb4Tc6S13",
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"spacegroup": 15
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{
"id": "jvasp-10258",
"created_at": "2022-09-04T14:38:10.344618Z",
"updated_at": "2022-09-04T14:38:10.344645Z",
"structure_string": "Rb4 Ag4 O4\n1.0\n5.372242 -0.000000 2.181474\n2.686121 7.111692 1.090738\n0.010495 -0.000000 7.679909\nRb Ag O\n4 4 4\ndirect\n0.937032 0.812967 0.812967 Rb\n0.250000 0.812967 0.187033 Rb\n0.249999 0.187033 0.812967 Rb\n0.562967 0.187033 0.187033 Rb\n0.896293 0.500000 0.207413 Ag\n0.896293 0.207413 0.500000 Ag\n0.603706 0.792587 0.500000 Ag\n0.603706 0.500000 0.792587 Ag\n0.460222 0.789778 0.789778 O\n0.749999 0.789778 0.210222 O\n0.749999 0.210222 0.789778 O\n0.039778 0.210222 0.210222 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-O-Rb",
"density": 4.741418002060647,
"density_atomic": 0.040920197855128175,
"volume": 293.25371403345116,
"volume_molar": 14.716792869185253,
"formula_full": "Rb4 Ag4 O4",
"formula_reduced": "RbAgO",
"formula_anonymous": "ABC",
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"spacegroup": 139
},
{
"id": "jvasp-1978",
"created_at": "2022-09-04T14:36:07.159504Z",
"updated_at": "2022-09-04T14:36:07.159532Z",
"structure_string": "Sr2 Br1 N1\n1.0\n3.806815 0.007422 6.648678\n1.774409 3.367992 6.648678\n0.012271 0.007422 7.661371\nSr Br N\n2 1 1\ndirect\n0.772322 0.772321 0.772324 Sr\n0.227678 0.227677 0.227678 Sr\n0.000000 0.000000 0.000000 Br\n0.500000 0.499999 0.500001 N\n",
"nsites": 4,
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"elements": [
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"Br",
"N"
],
"chemical_system": "Br-N-Sr",
"density": 4.572061921102548,
"density_atomic": 0.04091923292316249,
"volume": 97.75354312020312,
"volume_molar": 14.717139911464821,
"formula_full": "Sr2 Br1 N1",
"formula_reduced": "Sr2BrN",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6091674937499999,
"spacegroup": 166
},
{
"id": "jvasp-100614",
"created_at": "2022-09-04T14:36:38.301546Z",
"updated_at": "2022-09-04T14:36:38.301565Z",
"structure_string": "Pm1 Nd1 Zn2\n1.0\n4.478061 -0.000000 2.585410\n1.492687 4.221956 2.585410\n-0.000000 -0.000000 5.170819\nPm Nd Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750001 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Nd",
"Zn"
],
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"density": 7.13505592398039,
"density_atomic": 0.040916355872523645,
"volume": 97.76041670138322,
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"formula_full": "Pm1 Nd1 Zn2",
"formula_reduced": "PmNdZn2",
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},
{
"id": "jvasp-112384",
"created_at": "2022-09-04T14:38:40.712731Z",
"updated_at": "2022-09-04T14:38:40.712759Z",
"structure_string": "Al1 In3 Cu4 Se8\n1.0\n5.587022 0.000234 1.553120\n2.579133 6.446578 1.547392\n-0.007084 0.034854 10.859953\nAl In Cu Se\n1 3 4 8\ndirect\n0.247302 0.375830 0.124638 Al\n0.252531 0.874192 0.625431 In\n0.500978 0.249735 0.754790 In\n0.498695 0.750545 0.245020 In\n0.748997 0.616678 0.880869 Cu\n0.751637 0.133132 0.368882 Cu\n0.993254 0.001651 0.005518 Cu\n0.006392 0.498133 0.494592 Cu\n0.359896 0.682941 0.050521 Se\n0.381083 0.204187 0.547542 Se\n0.897171 0.424252 0.312914 Se\n0.876636 0.916995 0.831644 Se\n0.103522 0.311485 0.952152 Se\n0.092778 0.815875 0.435102 Se\n0.665783 0.559924 0.686189 Se\n0.623348 0.084437 0.184194 Se\n",
"nsites": 16,
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"elements": [
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"In",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-In-Se",
"density": 5.338980992156057,
"density_atomic": 0.04091574880765878,
"volume": 391.0474686706712,
"volume_molar": 14.718393126102953,
"formula_full": "Al1 In3 Cu4 Se8",
"formula_reduced": "AlIn3(CuSe2)4",
"formula_anonymous": "AB3C4D8",
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"spacegroup": 1
},
{
"id": "jvasp-37383",
"created_at": "2022-09-04T14:37:58.442190Z",
"updated_at": "2022-09-04T14:37:58.442218Z",
"structure_string": "Sm2 Zn1 Ag1\n1.0\n-0.000001 3.656348 3.656349\n3.656351 0.000000 3.656348\n3.656352 3.656348 -0.000001\nSm Zn Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500000 0.500000 Sm\n0.750001 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
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"elements": [
"Sm",
"Zn",
"Ag"
],
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"density": 8.051034961847758,
"density_atomic": 0.04091540272447485,
"volume": 97.76269408701855,
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"formula_full": "Sm2 Zn1 Ag1",
"formula_reduced": "Sm2ZnAg",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-123422",
"created_at": "2022-09-04T14:38:54.323885Z",
"updated_at": "2022-09-04T14:38:54.323922Z",
"structure_string": "Zr1 Pb1\n1.0\n1.673286 -2.898213 -0.000000\n1.673286 2.898213 0.000000\n-0.000000 0.000000 5.039883\nZr Pb\n1 1\ndirect\n0.333335 0.666668 0.750000 Zr\n0.666668 0.333335 0.250000 Pb\n",
"nsites": 2,
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"elements": [
"Zr",
"Pb"
],
"chemical_system": "Pb-Zr",
"density": 10.137524503814955,
"density_atomic": 0.040914671434616696,
"volume": 48.88222072603176,
"volume_molar": 14.718780693677633,
"formula_full": "Zr1 Pb1",
"formula_reduced": "ZrPb",
"formula_anonymous": "AB",
"energy_above_hull": 1.4470176600000002,
"spacegroup": 187
},
{
"id": "jvasp-117690",
"created_at": "2022-09-04T14:38:53.571823Z",
"updated_at": "2022-09-04T14:38:53.571841Z",
"structure_string": "Li1 Be1 Te1\n1.0\n4.578269 0.000000 0.000000\n-2.289134 3.964897 -0.000000\n-0.000000 0.000000 4.039500\nLi Be Te\n1 1 1\ndirect\n0.333335 0.666666 0.000000 Li\n0.000000 0.000000 0.000000 Be\n0.666668 0.333333 0.000000 Te\n",
"nsites": 3,
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"elements": [
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"Be",
"Te"
],
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"density": 3.250881150770869,
"density_atomic": 0.04091291523737546,
"volume": 73.32647851159209,
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"formula_full": "Li1 Be1 Te1",
"formula_reduced": "LiBeTe",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-17311",
"created_at": "2022-09-04T14:37:56.697533Z",
"updated_at": "2022-09-04T14:37:56.697543Z",
"structure_string": "Ti3 Te4\n1.0\n3.708767 -0.000000 -0.991002\n-0.861028 6.186465 -3.222345\n0.012356 -0.049652 7.481664\nTi Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752149 0.706673 0.504296 Ti\n0.247853 0.293328 0.495704 Ti\n0.633717 0.960245 0.267433 Te\n0.366285 0.039757 0.732567 Te\n0.108681 0.450623 0.217361 Te\n0.891321 0.549378 0.782639 Te\n",
"nsites": 7,
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"elements": [
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"density": 6.347114019189472,
"density_atomic": 0.04091163444639415,
"volume": 171.10047287824653,
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"formula_full": "Ti3 Te4",
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"formula_anonymous": "A3B4",
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"spacegroup": 12
},
{
"id": "jvasp-65477",
"created_at": "2022-09-04T14:35:43.803249Z",
"updated_at": "2022-09-04T14:35:43.803277Z",
"structure_string": "Ba1 Mn2 In1\n1.0\n3.405450 0.000000 0.000000\n0.000000 3.870773 0.000000\n0.000000 0.000000 7.417358\nBa Mn In\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.671104 Mn\n0.000000 0.000000 0.328897 Mn\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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],
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"density": 6.1483915506016,
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"volume": 97.77356531876926,
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"formula_full": "Ba1 Mn2 In1",
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"formula_anonymous": "ABC2",
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"spacegroup": 47
},
{
"id": "jvasp-2520",
"created_at": "2022-09-04T14:37:17.170662Z",
"updated_at": "2022-09-04T14:37:17.170684Z",
"structure_string": "Ca1 Cd2 As2\n1.0\n2.215524 -3.837400 0.000000\n2.215524 3.837400 0.000000\n0.000000 0.000000 7.187962\nCa Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.365920 Cd\n0.666666 0.333332 0.634080 Cd\n0.333332 0.666666 0.767629 As\n0.666666 0.333332 0.232371 As\n",
"nsites": 5,
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],
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},
{
"id": "jvasp-34432",
"created_at": "2022-09-04T14:38:15.611059Z",
"updated_at": "2022-09-04T14:38:15.611069Z",
"structure_string": "Ta2 Tl3 Cu3 S8\n1.0\n-5.569318 0.000677 -0.000119\n-0.000107 -7.272029 0.023579\n2.784628 1.053155 9.653637\nTa Tl Cu S\n2 3 3 8\ndirect\n0.137245 0.808852 0.736793 Ta\n0.400483 0.191124 0.263203 Ta\n0.687009 0.705734 0.357766 Tl\n0.329015 0.294216 0.642245 Tl\n0.013806 0.500001 0.000017 Tl\n0.266485 0.000053 0.999962 Cu\n0.641745 0.819433 0.746638 Cu\n0.895142 0.180586 0.253388 Cu\n0.737935 0.129635 0.438791 S\n0.940351 0.065281 0.809221 S\n0.299132 0.870306 0.561204 S\n0.848981 0.566951 0.667551 S\n0.131042 0.934736 0.190718 S\n0.541433 0.259086 0.077065 S\n0.464323 0.740980 0.922953 S\n0.181579 0.433031 0.332489 S\n",
"nsites": 16,
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"volume": 391.1105693741877,
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"formula_full": "Ta2 Tl3 Cu3 S8",
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}
]
}