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=structure_string&page=1158",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=1156",
"results": [
{
"id": "jvasp-29434",
"created_at": "2022-09-04T14:37:53.702783Z",
"updated_at": "2022-09-04T14:37:53.702809Z",
"structure_string": "Cu3 Se2 Cl2 O6\n1.0\n5.319048 0.075549 1.535571\n1.616304 5.068091 1.535571\n-0.021577 -0.016002 7.616257\nCu Se Cl O\n3 2 2 6\ndirect\n0.593942 0.593942 0.156312 Cu\n0.000000 0.000000 0.000000 Cu\n0.406057 0.406058 0.843689 Cu\n0.166018 0.166019 0.265122 Se\n0.833981 0.833982 0.734879 Se\n0.294526 0.294527 0.623945 Cl\n0.705473 0.705473 0.376055 Cl\n0.725948 0.107304 0.852557 O\n0.274051 0.892696 0.147444 O\n0.354871 0.354871 0.131963 O\n0.645128 0.645129 0.868037 O\n0.892696 0.274052 0.147443 O\n0.107303 0.725948 0.852557 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cu",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Se",
"density": 4.182651932857679,
"density_atomic": 0.06352587765810433,
"volume": 204.64101369784888,
"volume_molar": 9.479822998134878,
"formula_full": "Cu3 Se2 Cl2 O6",
"formula_reduced": "Cu3Se2(ClO3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": 1.474209786025641,
"spacegroup": 12
},
{
"id": "jvasp-79412",
"created_at": "2022-09-04T14:37:17.166197Z",
"updated_at": "2022-09-04T14:37:17.166227Z",
"structure_string": "Cu3 Si1\n1.0\n-1.832124 1.832124 3.649965\n1.832124 -1.832124 3.649965\n1.832124 1.832124 -3.649965\nCu Si\n3 1\ndirect\n0.749999 0.250000 0.499998 Cu\n0.250000 0.749999 0.499998 Cu\n0.500002 0.500002 0.000000 Cu\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Si"
],
"chemical_system": "Cu-Si",
"density": 7.411158907712075,
"density_atomic": 0.08162093630065996,
"volume": 49.00703399512041,
"volume_molar": 7.378181423718006,
"formula_full": "Cu3 Si1",
"formula_reduced": "Cu3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4713874874999999,
"spacegroup": 139
},
{
"id": "jvasp-19859",
"created_at": "2022-09-04T14:36:12.184286Z",
"updated_at": "2022-09-04T14:36:12.184316Z",
"structure_string": "Cu3 Sn1\n1.0\n3.787604 0.000000 2.186774\n1.262535 3.570987 2.186774\n0.000000 0.000000 4.373547\nCu Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n0.749998 0.750001 0.750000 Cu\n0.249999 0.250000 0.250000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn",
"density": 8.683799276905681,
"density_atomic": 0.06761971836919493,
"volume": 59.1543427933331,
"volume_molar": 8.905894471668589,
"formula_full": "Cu3 Sn1",
"formula_reduced": "Cu3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0157775,
"spacegroup": 225
},
{
"id": "jvasp-122030",
"created_at": "2022-09-04T14:38:51.881106Z",
"updated_at": "2022-09-04T14:38:51.881117Z",
"structure_string": "Cu3 Sn1 P4 O16\n1.0\n6.015109 -0.000000 0.000000\n0.000000 4.936217 0.219020\n-0.000000 0.016040 9.909419\nCu Sn P O\n3 1 4 16\ndirect\n0.500000 0.870901 0.306239 Cu\n0.500000 0.653664 0.809785 Cu\n-0.000000 0.369302 0.199335 Cu\n-0.000000 0.062487 0.707093 Sn\n-0.000000 0.888385 0.393497 P\n-0.000000 0.590154 0.903724 P\n0.500000 0.422029 0.109179 P\n0.500000 0.104321 0.592955 P\n0.706510 0.250908 0.653697 O\n-0.000000 0.199567 0.373507 O\n-0.000000 0.289283 0.874283 O\n0.299396 0.264262 0.172057 O\n0.700604 0.264262 0.172057 O\n0.500000 0.399131 0.953362 O\n-0.000000 0.629106 0.054494 O\n0.500000 0.799963 0.633438 O\n0.192754 0.757063 0.828609 O\n0.500000 0.727346 0.134303 O\n0.293490 0.250908 0.653697 O\n0.798548 0.749274 0.329027 O\n0.201452 0.749274 0.329027 O\n-0.000000 0.820358 0.549561 O\n0.807246 0.757063 0.828609 O\n0.500000 0.130995 0.438464 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cu",
"Sn",
"P",
"O"
],
"chemical_system": "Cu-O-P-Sn",
"density": 3.8900993935472177,
"density_atomic": 0.08157488999783222,
"volume": 294.2081809811546,
"volume_molar": 7.382346160883618,
"formula_full": "Cu3 Sn1 P4 O16",
"formula_reduced": "Cu3Sn(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 2.567483793750001,
"spacegroup": 6
},
{
"id": "jvasp-51908",
"created_at": "2022-09-04T14:37:16.150057Z",
"updated_at": "2022-09-04T14:37:16.150076Z",
"structure_string": "Cu3 Sn4 Pb1 O12\n1.0\n6.753336 -0.002230 0.001847\n-2.249049 6.367857 -0.002984\n-2.253622 -3.180728 5.514561\nCu Sn Pb O\n3 4 1 12\ndirect\n0.000014 0.500018 0.499986 Cu\n0.499974 0.499957 0.000013 Cu\n0.499984 0.000006 0.499984 Cu\n0.999987 0.500016 -0.000006 Sn\n-0.000013 0.999990 0.499978 Sn\n0.500033 0.999987 0.999993 Sn\n0.500039 0.500045 0.500050 Sn\n0.000155 0.000119 0.000052 Pb\n0.312174 0.173185 0.485353 O\n0.173190 0.485369 0.312172 O\n0.826842 0.514638 0.687804 O\n0.687786 0.173189 0.860973 O\n0.514576 0.687750 0.826815 O\n0.312173 0.826839 0.138994 O\n0.138980 0.312135 0.826846 O\n0.485326 0.312145 0.173192 O\n0.860963 0.687758 0.173207 O\n0.687790 0.826824 0.514602 O\n0.826836 0.139028 0.312194 O\n0.173207 0.861008 0.687808 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cu",
"Sn",
"Pb",
"O"
],
"chemical_system": "Cu-O-Pb-Sn",
"density": 7.456536864490224,
"density_atomic": 0.08435342567037088,
"volume": 237.09766190355202,
"volume_molar": 7.1391774692503995,
"formula_full": "Cu3 Sn4 Pb1 O12",
"formula_reduced": "Cu3Sn4PbO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.8011180485000002,
"spacegroup": 204
},
{
"id": "jvasp-34704",
"created_at": "2022-09-04T14:38:13.686517Z",
"updated_at": "2022-09-04T14:38:13.686533Z",
"structure_string": "Cu3 Te1 S3 Cl1\n1.0\n5.455532 -0.033757 0.507699\n0.459522 5.436250 0.507699\n-0.036960 -0.033757 5.478981\nCu Te S Cl\n3 1 3 1\ndirect\n0.770174 0.770174 0.195733 Cu\n0.770174 0.195731 0.770175 Cu\n0.195732 0.770174 0.770175 Cu\n0.254971 0.254971 0.254971 Te\n0.470552 0.971687 0.971688 S\n0.971687 0.470551 0.971688 S\n0.971687 0.971687 0.470553 S\n0.567689 0.567689 0.567690 Cl\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cu",
"Te",
"S",
"Cl"
],
"chemical_system": "Cl-Cu-S-Te",
"density": 4.589713096487862,
"density_atomic": 0.04915004836712789,
"volume": 162.7668795001734,
"volume_molar": 12.252563242700033,
"formula_full": "Cu3 Te1 S3 Cl1",
"formula_reduced": "Cu3TeS3Cl",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 0.7565078980208334,
"spacegroup": 160
},
{
"id": "jvasp-29696",
"created_at": "2022-09-04T14:37:51.679003Z",
"updated_at": "2022-09-04T14:37:51.679025Z",
"structure_string": "Cu3 Te2 Br2 O6\n1.0\n5.522255 0.044775 1.377112\n1.890726 5.188687 1.377112\n-0.009539 -0.006735 8.152547\nCu Te Br O\n3 2 2 6\ndirect\n0.089788 0.089789 0.634678 Cu\n0.500001 0.500000 0.500000 Cu\n0.910213 0.910212 0.365322 Cu\n0.333376 0.333376 0.233631 Te\n0.666625 0.666625 0.766369 Te\n0.205520 0.205521 0.866680 Br\n0.794481 0.794480 0.133319 Br\n0.861571 0.861570 0.628894 O\n0.222264 0.611841 0.367706 O\n0.777737 0.388159 0.632293 O\n0.611841 0.222264 0.367706 O\n0.388160 0.777737 0.632293 O\n0.138430 0.138431 0.371106 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Cu",
"Te",
"Br",
"O"
],
"chemical_system": "Br-Cu-O-Te",
"density": 5.000275788184294,
"density_atomic": 0.055792058802851055,
"volume": 233.00807102203012,
"volume_molar": 10.793903091621097,
"formula_full": "Cu3 Te2 Br2 O6",
"formula_reduced": "Cu3Te2(BrO3)2",
"formula_anonymous": "A2B2C3D6",
"energy_above_hull": 1.3430112379487178,
"spacegroup": 12
},
{
"id": "jvasp-25400",
"created_at": "2022-09-04T14:38:28.707780Z",
"updated_at": "2022-09-04T14:38:28.707813Z",
"structure_string": "Cu4\n1.0\n2.568258 0.000000 0.000000\n-1.284129 2.224177 0.000000\n0.000000 -0.000000 8.416813\nCu\n4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333335 0.666668 0.250001 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333335 0.750001 Cu\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.778930963700272,
"density_atomic": 0.08319635854970497,
"volume": 48.07902737245685,
"volume_molar": 7.238466761020703,
"formula_full": "Cu4",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy_above_hull": 0.00352045,
"spacegroup": 194
},
{
"id": "jvasp-57760",
"created_at": "2022-09-04T14:37:10.160077Z",
"updated_at": "2022-09-04T14:37:10.160096Z",
"structure_string": "Cu4 Ag4 O6\n1.0\n5.369980 0.000000 -2.590306\n-1.249481 5.222593 -2.590306\n-0.024034 -0.030462 6.811598\nCu Ag O\n4 4 6\ndirect\n0.500000 0.500000 0.500000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 -0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n-0.000000 0.500000 -0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.625000 0.375000 0.249999 O\n0.375001 0.625000 0.750000 O\n0.613809 0.863808 0.227616 O\n0.863809 0.613808 0.727617 O\n0.136192 0.386191 0.272383 O\n0.386192 0.136192 0.772383 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Cu-O",
"density": 6.824741833967524,
"density_atomic": 0.0736124132602829,
"volume": 190.18531494814627,
"volume_molar": 8.180876693590493,
"formula_full": "Cu4 Ag4 O6",
"formula_reduced": "Cu2Ag2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.8839922742857145,
"spacegroup": 141
},
{
"id": "jvasp-9694",
"created_at": "2022-09-04T14:37:06.612570Z",
"updated_at": "2022-09-04T14:37:06.612593Z",
"structure_string": "Cu4 Ag4 S4\n1.0\n4.044976 0.000000 0.000000\n0.000000 6.594166 0.000000\n0.000000 0.000000 8.151316\nCu Ag S\n4 4 4\ndirect\n0.000000 0.554974 0.724676 Cu\n0.000000 0.445027 0.224675 Cu\n0.500001 0.055014 0.742638 Cu\n0.500001 0.944987 0.242638 Cu\n0.500001 0.572888 0.475249 Ag\n0.500001 0.427113 0.975249 Ag\n0.000000 0.072883 0.991900 Ag\n0.000000 0.927118 0.491899 Ag\n0.500001 0.299406 0.262831 S\n0.500001 0.700595 0.762831 S\n0.000000 0.799421 0.204308 S\n0.000000 0.200579 0.704308 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 6.216208254364527,
"density_atomic": 0.05519219819155042,
"volume": 217.4220341496948,
"volume_molar": 10.911217449791575,
"formula_full": "Cu4 Ag4 S4",
"formula_reduced": "CuAgS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3109592366666667,
"spacegroup": 62
},
{
"id": "jvasp-62191",
"created_at": "2022-09-04T14:35:42.956064Z",
"updated_at": "2022-09-04T14:35:42.956099Z",
"structure_string": "Cu4 As16 S12 Cl4\n1.0\n7.240151 -0.000000 0.000000\n0.000000 10.915253 0.000000\n0.000000 0.000000 11.090309\nCu As S Cl\n4 16 12 4\ndirect\n0.500000 0.301246 0.750000 Cu\n0.000000 0.698754 0.250000 Cu\n0.500000 0.698754 0.250000 Cu\n0.000000 0.301246 0.750000 Cu\n0.750000 0.250569 0.220523 As\n0.250000 0.749431 0.779477 As\n0.250000 0.250569 0.279477 As\n0.424646 0.637453 0.943177 As\n0.924646 0.362547 0.056823 As\n0.075354 0.362547 0.443177 As\n0.575354 0.637453 0.556823 As\n0.750000 0.749431 0.720523 As\n0.075354 0.637453 0.943177 As\n0.924646 0.637453 0.556823 As\n0.424646 0.362547 0.443177 As\n0.750000 0.064716 0.944760 As\n0.250000 0.935283 0.055240 As\n0.750000 0.935283 0.444760 As\n0.250000 0.064716 0.555240 As\n0.575354 0.362547 0.056823 As\n0.492098 0.796649 0.070539 S\n0.992098 0.203351 0.929461 S\n0.007902 0.203351 0.570539 S\n0.507902 0.796649 0.429461 S\n0.507902 0.203351 0.929461 S\n0.007902 0.796649 0.070539 S\n0.750000 0.055293 0.149739 S\n0.492098 0.203351 0.570539 S\n0.250000 0.944707 0.850262 S\n0.750000 0.944707 0.649739 S\n0.250000 0.055293 0.350261 S\n0.992098 0.796649 0.429461 S\n0.750000 0.554668 0.236733 Cl\n0.750000 0.445332 0.736733 Cl\n0.250000 0.554668 0.263267 Cl\n0.250000 0.445332 0.763267 Cl\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Cu",
"As",
"S",
"Cl"
],
"chemical_system": "As-Cl-Cu-S",
"density": 3.7504576465228223,
"density_atomic": 0.04107498596150814,
"volume": 876.4458260250175,
"volume_molar": 14.661333702325352,
"formula_full": "Cu4 As16 S12 Cl4",
"formula_reduced": "CuAs4S3Cl",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.897545724166667,
"spacegroup": 57
},
{
"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
}
]
}