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=925",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=923",
"results": [
{
"id": "jvasp-77146",
"created_at": "2022-09-04T14:37:09.304046Z",
"updated_at": "2022-09-04T14:37:09.304069Z",
"structure_string": "Cd1 Hg1 Pd2\n1.0\n-9.335591 -0.000001 -5.389906\n-6.042379 -0.471299 -0.314104\n-4.903818 2.749040 -2.286150\nCd Hg Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 -0.000001 0.000000 Hg\n0.751155 1.000001 1.000000 Pd\n0.248845 -0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"Pd"
],
"chemical_system": "Cd-Hg-Pd",
"density": 10.41142431718957,
"density_atomic": 0.04769431274614946,
"volume": 83.86744183294549,
"volume_molar": 12.626538497477753,
"formula_full": "Cd1 Hg1 Pd2",
"formula_reduced": "CdHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1284075,
"spacegroup": 139
},
{
"id": "jvasp-93812",
"created_at": "2022-09-04T14:36:33.237303Z",
"updated_at": "2022-09-04T14:36:33.237324Z",
"structure_string": "Cd1 Hg1 S4\n1.0\n-0.000000 -0.000000 3.302809\n-4.358190 4.358191 1.651405\n-4.358190 -4.358190 1.651405\nCd Hg S\n1 1 4\ndirect\n0.249999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n0.306436 0.381785 0.910865 S\n0.599088 0.618215 0.089135 S\n0.311777 0.089135 0.381785 S\n0.782694 0.910865 0.618215 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"S"
],
"chemical_system": "Cd-Hg-S",
"density": 5.840080288479763,
"density_atomic": 0.04782174571387066,
"volume": 125.46593417771665,
"volume_molar": 12.592891936718408,
"formula_full": "Cd1 Hg1 S4",
"formula_reduced": "CdHgS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.786724058333333,
"spacegroup": 82
},
{
"id": "jvasp-109914",
"created_at": "2022-09-04T14:38:19.614861Z",
"updated_at": "2022-09-04T14:38:19.614887Z",
"structure_string": "Cd1 Hg1 S4\n1.0\n5.897622 0.031223 -0.946008\n-4.281529 4.056035 -0.946008\n-0.012345 -0.031223 5.972999\nCd Hg S\n1 1 4\ndirect\n0.749999 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n0.664273 0.627415 0.533626 S\n0.093788 0.130647 0.466374 S\n0.869353 0.335728 0.963141 S\n0.372586 0.906213 0.036858 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"S"
],
"chemical_system": "Cd-Hg-S",
"density": 5.112171786871701,
"density_atomic": 0.04186123600383605,
"volume": 143.33069380584405,
"volume_molar": 14.385960222120882,
"formula_full": "Cd1 Hg1 S4",
"formula_reduced": "CdHgS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7435457249999997,
"spacegroup": 82
},
{
"id": "jvasp-99452",
"created_at": "2022-09-04T14:36:34.828546Z",
"updated_at": "2022-09-04T14:36:34.828572Z",
"structure_string": "Cd1 Hg1 Se2\n1.0\n4.390308 -0.000000 0.000000\n0.000000 4.390308 0.000000\n0.000000 0.000000 6.187720\nCd Hg Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n-0.000000 0.500000 0.254013 Se\n0.500000 0.000000 0.745987 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"Se"
],
"chemical_system": "Cd-Hg-Se",
"density": 6.556567304865202,
"density_atomic": 0.033538169863698675,
"volume": 119.26709227892466,
"volume_molar": 17.95608044348984,
"formula_full": "Cd1 Hg1 Se2",
"formula_reduced": "CdHgSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 115
},
{
"id": "jvasp-89320",
"created_at": "2022-09-04T14:36:00.612274Z",
"updated_at": "2022-09-04T14:36:00.612300Z",
"structure_string": "Cd1 Hg1 Se4 C4 N4\n1.0\n4.201857 0.001945 1.150782\n2.104255 8.342248 0.576433\n-0.098552 0.001100 8.621562\nCd Hg Se C N\n1 1 4 4 4\ndirect\n0.750145 0.499890 0.499744 Cd\n-0.000040 -0.000000 0.000049 Hg\n0.466089 0.007490 0.719127 Se\n0.816252 0.718865 0.992819 Se\n0.526563 0.281075 0.007494 Se\n0.190702 0.992791 0.281324 Se\n0.227061 0.184647 0.643139 C\n0.130642 0.643182 0.815338 C\n0.588313 0.356891 0.184632 C\n0.053986 0.815346 0.356867 C\n0.074761 0.300424 0.593333 N\n0.332260 0.593507 0.699353 N\n0.624824 0.406525 0.300415 N\n0.968458 0.699365 0.406357 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Cd",
"Hg",
"Se",
"C",
"N"
],
"chemical_system": "C-Cd-Hg-N-Se",
"density": 4.014976447310407,
"density_atomic": 0.046186062326020565,
"volume": 303.1217491800032,
"volume_molar": 13.038870292709955,
"formula_full": "Cd1 Hg1 Se4 C4 N4",
"formula_reduced": "CdHgC4(SeN)4",
"formula_anonymous": "ABC4D4E4",
"energy_above_hull": 4.147023629761905,
"spacegroup": 82
},
{
"id": "jvasp-18647",
"created_at": "2022-09-04T14:37:01.156800Z",
"updated_at": "2022-09-04T14:37:01.156814Z",
"structure_string": "Cd1 Hg2\n1.0\n3.652836 0.000000 -1.528379\n-0.639488 3.596424 -1.528379\n0.193026 0.230376 5.590674\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.336071 0.336070 0.672141 Hg\n0.663931 0.663930 0.327859 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.218916978470654,
"density_atomic": 0.03946441657415265,
"volume": 76.01784747946482,
"volume_molar": 15.259672593118278,
"formula_full": "Cd1 Hg2",
"formula_reduced": "CdHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2164583333333332,
"spacegroup": 139
},
{
"id": "jvasp-107905",
"created_at": "2022-09-04T14:37:50.091350Z",
"updated_at": "2022-09-04T14:37:50.091373Z",
"structure_string": "Cd1 Hg3\n1.0\n4.252899 0.204860 -4.523990\n-0.521454 4.225778 -4.523990\n-0.172531 -0.204860 6.206760\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.250000 0.500001 Hg\n0.250001 0.750000 0.500001 Hg\n0.500001 0.500000 0.000001 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.332682269460385,
"density_atomic": 0.038223928017480945,
"volume": 104.64649258890087,
"volume_molar": 15.754897710266446,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00092,
"spacegroup": 139
},
{
"id": "jvasp-104841",
"created_at": "2022-09-04T14:36:40.891764Z",
"updated_at": "2022-09-04T14:36:40.891786Z",
"structure_string": "Cd1 Hg3\n1.0\n4.595493 -0.000000 2.653209\n1.531831 4.332672 2.653209\n-0.000000 -0.000000 5.306418\nCd Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n0.500000 0.500000 0.500001 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 11.224526010275735,
"density_atomic": 0.03785912849628949,
"volume": 105.65483567304074,
"volume_molar": 15.906707309943018,
"formula_full": "Cd1 Hg3",
"formula_reduced": "CdHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99732",
"created_at": "2022-09-04T14:36:33.552485Z",
"updated_at": "2022-09-04T14:36:33.552511Z",
"structure_string": "Cd1 Hg3 Te4\n1.0\n6.610067 0.000000 0.000000\n0.000000 6.610067 -0.000000\n-0.000000 0.000000 6.610067\nCd Hg Te\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.249093 0.249093 0.249093 Te\n0.750908 0.750908 0.249093 Te\n0.249093 0.750908 0.750908 Te\n0.750908 0.249093 0.750908 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"Te"
],
"chemical_system": "Cd-Hg-Te",
"density": 7.040751716012999,
"density_atomic": 0.027699530144396814,
"volume": 288.8135632011172,
"volume_molar": 21.740949137428547,
"formula_full": "Cd1 Hg3 Te4",
"formula_reduced": "CdHg3Te4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 215
},
{
"id": "jvasp-29441",
"created_at": "2022-09-04T14:37:58.790441Z",
"updated_at": "2022-09-04T14:37:58.790458Z",
"structure_string": "Cd1 Hg4 C6 S6 Br4 N6\n1.0\n6.041147 0.000000 1.723344\n3.020574 8.907436 0.861672\n-0.190088 0.000000 12.116587\nCd Hg C S Br N\n1 4 6 6 4 6\ndirect\n0.035630 -0.000000 -0.000000 Cd\n0.474105 0.685701 0.378656 Hg\n0.852760 0.685701 0.621344 Hg\n0.159805 0.314300 0.378656 Hg\n0.538461 0.314300 0.621344 Hg\n0.933429 0.736423 0.854755 C\n0.788183 0.736423 0.145244 C\n0.524608 0.263577 0.145245 C\n0.259626 -0.000000 0.228591 C\n0.488217 -0.000000 0.771409 C\n0.669852 0.263577 0.854755 C\n0.257747 0.385668 0.175348 S\n0.658757 -0.000000 0.642852 S\n0.301609 -0.000000 0.357148 S\n0.433096 0.385668 0.824652 S\n0.643414 0.614333 0.175348 S\n0.818763 0.614333 0.824652 S\n0.061211 0.307597 0.599449 Br\n0.368809 0.692403 0.599448 Br\n0.660660 0.307597 0.400551 Br\n0.968257 0.692403 0.400551 Br\n0.232623 -0.000000 0.136316 N\n0.015838 0.820210 0.879082 N\n0.836047 0.179791 0.879082 N\n0.715130 0.179791 0.120917 N\n0.368939 -0.000000 0.863684 N\n0.894920 0.820210 0.120917 N\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Cd",
"Hg",
"C",
"S",
"Br",
"N"
],
"chemical_system": "Br-C-Cd-Hg-N-S",
"density": 4.013338309655217,
"density_atomic": 0.041226081885737224,
"volume": 654.9252018378455,
"volume_molar": 14.60759908421821,
"formula_full": "Cd1 Hg4 C6 S6 Br4 N6",
"formula_reduced": "CdHg4C6S6(Br2N3)2",
"formula_anonymous": "AB4C4D6E6F6",
"energy_above_hull": 3.304246817407408,
"spacegroup": 42
},
{
"id": "jvasp-22630",
"created_at": "2022-09-04T14:36:58.961406Z",
"updated_at": "2022-09-04T14:36:58.961437Z",
"structure_string": "Cd1 I2\n1.0\n4.287960 0.000000 -0.000000\n-2.143981 3.713483 0.000000\n-0.000000 0.000000 6.871130\nCd I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666666 0.252216 I\n0.666667 0.333333 0.747784 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.558156279618793,
"density_atomic": 0.027419587934105524,
"volume": 109.41083459056969,
"volume_molar": 21.962914885782922,
"formula_full": "Cd1 I2",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 8.333333333332416e-05,
"spacegroup": 164
},
{
"id": "jvasp-106373",
"created_at": "2022-09-04T14:38:39.029642Z",
"updated_at": "2022-09-04T14:38:39.029651Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n7.297240 -0.011318 3.274498\n5.836117 4.380591 3.274498\n0.004193 0.001395 6.549384\nCd In Ag Te\n1 1 1 3\ndirect\n0.664553 0.664551 0.336109 Cd\n0.335384 0.335382 0.652533 In\n-0.000473 -0.000473 0.011552 Ag\n0.500921 0.500919 0.241421 Te\n0.162952 0.162950 0.592697 Te\n0.836672 0.836669 0.915687 Te\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.6841006466069794,
"density_atomic": 0.028608932476435544,
"volume": 209.72470765702457,
"volume_molar": 21.049861839340863,
"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 8
}
]
}