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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1541",
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"results": [
{
"id": "jvasp-14038",
"created_at": "2022-09-04T14:37:50.548780Z",
"updated_at": "2022-09-04T14:37:50.548790Z",
"structure_string": "Hg8 I4 O4\n1.0\n6.595530 -0.001466 -1.259718\n-0.498380 6.580160 -2.617035\n0.031764 0.028071 9.692941\nHg I O\n8 4 4\ndirect\n0.222877 0.088600 0.852996 Hg\n0.277122 0.235605 0.147004 Hg\n0.777122 0.911399 0.147004 Hg\n0.722877 0.764394 0.852996 Hg\n0.228145 0.147594 0.495088 Hg\n0.271855 0.652506 0.504912 Hg\n0.771855 0.852405 0.504912 Hg\n0.728145 0.347493 0.495088 Hg\n0.314369 0.780819 0.222390 I\n0.185630 0.558429 0.777610 I\n0.685630 0.219181 0.777610 I\n0.814369 0.441570 0.222390 I\n0.162589 0.947926 0.606620 O\n0.337411 0.341307 0.393381 O\n0.837411 0.052073 0.393380 O\n0.662589 0.658692 0.606619 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hg",
"I",
"O"
],
"chemical_system": "Hg-I-O",
"density": 8.575330568367203,
"density_atomic": 0.03796609354663238,
"volume": 421.4286618755701,
"volume_molar": 15.861892013207056,
"formula_full": "Hg8 I4 O4",
"formula_reduced": "Hg2IO",
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"spacegroup": 15
},
{
"id": "jvasp-59215",
"created_at": "2022-09-04T14:38:14.354445Z",
"updated_at": "2022-09-04T14:38:14.354465Z",
"structure_string": "Hg4 Mo4 O14\n1.0\n0.000000 6.092264 -0.043239\n3.965494 0.000000 0.000000\n0.000000 -3.786302 -14.024186\nHg Mo O\n4 4 14\ndirect\n0.352933 0.661423 0.935802 Hg\n0.647067 0.661423 0.564198 Hg\n0.647067 0.338576 0.064198 Hg\n0.352933 0.338576 0.435802 Hg\n0.189438 0.034283 0.684575 Mo\n0.810562 0.034283 0.815426 Mo\n0.810562 0.965716 0.315426 Mo\n0.189438 0.965716 0.184575 Mo\n0.795632 0.024531 0.431194 O\n0.865459 0.972261 0.668675 O\n0.865459 0.027738 0.168675 O\n0.134541 0.027738 0.331325 O\n0.795632 0.975468 0.931194 O\n0.204368 0.975468 0.568807 O\n0.189936 0.475809 0.696418 O\n0.810064 0.524190 0.303583 O\n0.810064 0.475809 0.803583 O\n0.204368 0.024531 0.068807 O\n0.500000 0.036581 0.250000 O\n0.500000 0.963418 0.750000 O\n0.189936 0.524190 0.196418 O\n0.134541 0.972261 0.831326 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 6.897909961142391,
"density_atomic": 0.06480934306926787,
"volume": 339.45722882095134,
"volume_molar": 9.292087336178627,
"formula_full": "Hg4 Mo4 O14",
"formula_reduced": "Hg2Mo2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.656883227272727,
"spacegroup": 13
},
{
"id": "jvasp-14152",
"created_at": "2022-09-04T14:37:58.224497Z",
"updated_at": "2022-09-04T14:37:58.224517Z",
"structure_string": "Hg4 Mo4 O14\n1.0\n0.000000 6.092383 -0.043537\n3.965615 0.000000 0.000000\n0.000000 -3.785684 -14.023182\nHg Mo O\n4 4 14\ndirect\n0.352919 0.661403 0.935800 Hg\n0.647081 0.661403 0.564200 Hg\n0.647081 0.338598 0.064200 Hg\n0.352919 0.338598 0.435800 Hg\n0.189446 0.034220 0.684573 Mo\n0.810554 0.034220 0.815427 Mo\n0.810554 0.965781 0.315427 Mo\n0.189446 0.965781 0.184573 Mo\n0.795620 0.024599 0.431202 O\n0.865469 0.972218 0.668674 O\n0.865469 0.027783 0.168674 O\n0.134531 0.027783 0.331326 O\n0.795620 0.975402 0.931202 O\n0.204380 0.975402 0.568798 O\n0.189958 0.475737 0.696403 O\n0.810042 0.524264 0.303597 O\n0.810042 0.475737 0.803597 O\n0.204380 0.024599 0.068799 O\n0.500000 0.036644 0.250000 O\n0.500000 0.963357 0.750000 O\n0.189958 0.524264 0.196403 O\n0.134531 0.972218 0.831326 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 6.897969151896292,
"density_atomic": 0.06480989919625382,
"volume": 339.45431597387295,
"volume_molar": 9.29200760174627,
"formula_full": "Hg4 Mo4 O14",
"formula_reduced": "Hg2Mo2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.656883227272727,
"spacegroup": 13
},
{
"id": "jvasp-56691",
"created_at": "2022-09-04T14:37:04.032499Z",
"updated_at": "2022-09-04T14:37:04.032514Z",
"structure_string": "Hg4 Mo2 O8\n1.0\n4.798086 0.029777 -1.283275\n-2.550540 6.589020 -2.078526\n0.015632 0.054746 7.364609\nHg Mo O\n4 2 8\ndirect\n0.516899 0.249167 0.467944 Hg\n0.983103 0.532058 0.750834 Hg\n0.483102 0.750834 0.532057 Hg\n0.016898 0.467944 0.249166 Hg\n0.250000 0.100179 0.899822 Mo\n0.750001 0.899822 0.100179 Mo\n0.704757 0.949541 0.335162 O\n0.295244 0.050460 0.664839 O\n0.853242 0.915900 0.818367 O\n0.353242 0.818367 0.915899 O\n0.204757 0.335162 0.949541 O\n0.646759 0.181634 0.084102 O\n0.146759 0.084101 0.181633 O\n0.795244 0.664839 0.050460 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Mo",
"O"
],
"chemical_system": "Hg-Mo-O",
"density": 7.955395023699052,
"density_atomic": 0.05976635923641099,
"volume": 234.24548824568336,
"volume_molar": 10.07613787578879,
"formula_full": "Hg4 Mo2 O8",
"formula_reduced": "Hg2MoO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.812312728571428,
"spacegroup": 15
},
{
"id": "jvasp-93679",
"created_at": "2022-09-04T14:36:22.267645Z",
"updated_at": "2022-09-04T14:36:22.267670Z",
"structure_string": "Hg4 N2\n1.0\n-5.113646 -5.113646 0.000000\n-5.113646 0.000000 -5.113646\n0.000000 -5.113646 -5.113646\nHg N\n4 2\ndirect\n0.375000 0.875001 0.875001 Hg\n0.875001 0.375000 0.875001 Hg\n0.875001 0.875001 0.375000 Hg\n0.875001 0.875001 0.875001 Hg\n0.750001 0.750001 0.750001 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"N"
],
"chemical_system": "Hg-N",
"density": 5.15585328237271,
"density_atomic": 0.02243516534736285,
"volume": 267.43729796960343,
"volume_molar": 26.84241754745024,
"formula_full": "Hg4 N2",
"formula_reduced": "Hg2N",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9101074833333328,
"spacegroup": 227
},
{
"id": "jvasp-59748",
"created_at": "2022-09-04T14:38:33.447237Z",
"updated_at": "2022-09-04T14:38:33.447262Z",
"structure_string": "Hg4 Os4 O14\n1.0\n6.360329 0.000000 3.672138\n2.120109 5.996575 3.672138\n-0.000000 -0.000000 7.344274\nHg Os O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 -0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.063781 0.686218 0.063782 O\n0.686219 0.063781 0.686219 O\n0.686219 0.063781 0.063781 O\n0.625000 0.625000 0.625000 O\n0.936219 0.313781 0.313781 O\n0.313782 0.936218 0.313782 O\n0.313781 0.313781 0.936218 O\n0.936219 0.936218 0.313782 O\n0.936219 0.313781 0.936219 O\n0.063781 0.686218 0.686219 O\n0.313782 0.936218 0.936219 O\n0.375000 0.375000 0.375000 O\n0.686219 0.686218 0.063782 O\n0.063781 0.063781 0.686218 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"Os",
"O"
],
"chemical_system": "Hg-O-Os",
"density": 10.59517001462797,
"density_atomic": 0.0785400112091501,
"volume": 280.1120048406225,
"volume_molar": 7.667608735072864,
"formula_full": "Hg4 Os4 O14",
"formula_reduced": "Hg2Os2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.7209630636363635,
"spacegroup": 227
},
{
"id": "jvasp-12728",
"created_at": "2022-09-04T14:37:10.626052Z",
"updated_at": "2022-09-04T14:37:10.626077Z",
"structure_string": "Hg2 P2 S7\n1.0\n5.904870 -0.000000 -0.000000\n-2.952436 5.365983 -1.286699\n-0.000000 0.035127 8.183459\nHg P S\n2 2 7\ndirect\n0.789854 0.575549 0.799376 Hg\n0.214304 0.424451 0.200624 Hg\n0.909561 0.825423 0.293979 P\n0.084139 0.174577 0.706021 P\n0.211554 0.947446 0.761944 S\n0.264109 0.052554 0.238056 S\n0.886636 0.516254 0.356472 S\n0.370382 0.483746 0.643528 S\n0.779288 0.000000 0.500000 S\n0.626864 0.751158 0.108311 S\n0.875706 0.248842 0.891689 S\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Hg",
"P",
"S"
],
"chemical_system": "Hg-P-S",
"density": 4.398763414551445,
"density_atomic": 0.04237886899474708,
"volume": 259.5633215545102,
"volume_molar": 14.210244168494567,
"formula_full": "Hg2 P2 S7",
"formula_reduced": "Hg2P2S7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.7285818363636365,
"spacegroup": 5
},
{
"id": "jvasp-58925",
"created_at": "2022-09-04T14:37:10.936603Z",
"updated_at": "2022-09-04T14:37:10.936611Z",
"structure_string": "Hg8 P12 Br4\n1.0\n7.977397 -0.000000 0.000000\n-0.000000 8.123132 0.000000\n0.000000 0.000000 9.002573\nHg P Br\n8 12 4\ndirect\n0.898537 0.214023 0.672136 Hg\n0.601463 0.785977 0.672136 Hg\n0.101463 0.714022 0.827864 Hg\n0.398537 0.285977 0.827864 Hg\n0.898537 0.285977 0.172136 Hg\n0.398537 0.214023 0.327864 Hg\n0.101463 0.785977 0.327864 Hg\n0.601463 0.714022 0.172136 Hg\n0.578400 0.113491 0.988135 P\n0.750000 0.500000 0.321831 P\n0.750000 0.000000 0.821831 P\n0.250000 0.500000 0.678169 P\n0.250000 0.000000 0.178169 P\n0.078400 0.386509 0.511864 P\n0.421601 0.886509 0.011865 P\n0.921601 0.886509 0.988135 P\n0.921601 0.613491 0.488135 P\n0.578400 0.386509 0.488135 P\n0.078400 0.113491 0.011865 P\n0.421601 0.613491 0.511864 P\n0.750000 0.000000 0.387928 Br\n0.250000 0.500000 0.112071 Br\n0.750000 0.500000 0.887928 Br\n0.250000 0.000000 0.612071 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"P",
"Br"
],
"chemical_system": "Br-Hg-P",
"density": 6.535421656486734,
"density_atomic": 0.04113958193226446,
"volume": 583.3797737545204,
"volume_molar": 14.63831297536115,
"formula_full": "Hg8 P12 Br4",
"formula_reduced": "Hg2P3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0010649675,
"spacegroup": 60
},
{
"id": "jvasp-29248",
"created_at": "2022-09-04T14:38:12.759651Z",
"updated_at": "2022-09-04T14:38:12.759674Z",
"structure_string": "Hg8 P12 Br4\n1.0\n7.977403 0.000000 0.000000\n-0.000000 8.123475 0.000000\n0.000000 0.000000 9.002102\nHg P Br\n8 12 4\ndirect\n0.601504 0.714055 0.172136 Hg\n0.398495 0.214054 0.327864 Hg\n0.898495 0.285946 0.172136 Hg\n0.398495 0.285946 0.827864 Hg\n0.101505 0.714055 0.827864 Hg\n0.601504 0.785946 0.672136 Hg\n0.898495 0.214054 0.672136 Hg\n0.101505 0.785946 0.327864 Hg\n0.750000 0.500000 0.321816 P\n0.078399 0.113482 0.011869 P\n0.250000 0.500000 0.678183 P\n0.250000 0.000000 0.178184 P\n0.078399 0.386518 0.511869 P\n0.421601 0.613482 0.511869 P\n0.921600 0.886519 0.988131 P\n0.421601 0.886519 0.011869 P\n0.921600 0.613482 0.488131 P\n0.578399 0.386518 0.488131 P\n0.750000 0.000000 0.821816 P\n0.578399 0.113482 0.988131 P\n0.250000 0.500000 0.112093 Br\n0.750000 0.500000 0.887907 Br\n0.750000 0.000000 0.387907 Br\n0.250000 0.000000 0.612093 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"P",
"Br"
],
"chemical_system": "Br-Hg-P",
"density": 6.535482719954607,
"density_atomic": 0.041139966318409944,
"volume": 583.374323018347,
"volume_molar": 14.638176204109142,
"formula_full": "Hg8 P12 Br4",
"formula_reduced": "Hg2P3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0010866341666669,
"spacegroup": 60
},
{
"id": "jvasp-12961",
"created_at": "2022-09-04T14:36:51.880415Z",
"updated_at": "2022-09-04T14:36:51.880445Z",
"structure_string": "Hg4 P6 Cl2\n1.0\n5.949765 0.034833 -0.575766\n-0.750904 5.902292 -0.575766\n0.037260 0.042551 7.765586\nHg P Cl\n4 6 2\ndirect\n0.852518 0.587635 0.659303 Hg\n0.412364 0.147481 0.840697 Hg\n0.587636 0.852518 0.159303 Hg\n0.147482 0.412364 0.340696 Hg\n0.944127 0.822044 0.022604 P\n0.177955 0.055872 0.477395 P\n0.055873 0.177955 0.977396 P\n0.804884 0.195114 0.750000 P\n0.195115 0.804884 0.250000 P\n0.822045 0.944126 0.522604 P\n0.371020 0.628979 0.750000 Cl\n0.628980 0.371020 0.250000 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"P",
"Cl"
],
"chemical_system": "Cl-Hg-P",
"density": 6.437395369329215,
"density_atomic": 0.04392399655351262,
"volume": 273.1991836257522,
"volume_molar": 13.710366160928057,
"formula_full": "Hg4 P6 Cl2",
"formula_reduced": "Hg2P3Cl",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0724438916666663,
"spacegroup": 15
},
{
"id": "jvasp-98223",
"created_at": "2022-09-04T14:36:08.638299Z",
"updated_at": "2022-09-04T14:36:08.638327Z",
"structure_string": "Hg4 P2 Cl4\n1.0\n5.609505 -0.031704 2.020616\n-0.198053 5.606097 2.020616\n-0.023776 -0.024492 7.781881\nHg P Cl\n4 2 4\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.287446 0.287447 0.430060 Hg\n0.712553 0.712554 0.569941 Hg\n0.359627 0.359627 0.086705 P\n0.640372 0.640374 0.913296 P\n0.273115 0.726886 0.500000 Cl\n0.726884 0.273116 0.500000 Cl\n0.894631 0.894632 0.216915 Cl\n0.105368 0.105369 0.783086 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hg",
"P",
"Cl"
],
"chemical_system": "Cl-Hg-P",
"density": 6.81280364655865,
"density_atomic": 0.04077811986083252,
"volume": 245.22955040909142,
"volume_molar": 14.768068710750644,
"formula_full": "Hg4 P2 Cl4",
"formula_reduced": "Hg2PCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-16554",
"created_at": "2022-09-04T14:37:43.380160Z",
"updated_at": "2022-09-04T14:37:43.380183Z",
"structure_string": "Hg2 Pt1\n1.0\n4.817073 0.000000 0.000000\n-0.000000 4.817073 -0.000000\n0.000000 -0.000000 2.986830\nHg Pt\n2 1\ndirect\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 14.2860026448351,
"density_atomic": 0.04328568495900819,
"volume": 69.30697764956287,
"volume_molar": 13.912545835194717,
"formula_full": "Hg2 Pt1",
"formula_reduced": "Hg2Pt",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5406135666666665,
"spacegroup": 123
}
]
}