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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=1556",
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"results": [
{
"id": "jvasp-29643",
"created_at": "2022-09-04T14:37:17.536181Z",
"updated_at": "2022-09-04T14:37:17.536206Z",
"structure_string": "Hg4 C4 N8\n1.0\n5.596945 0.037465 0.000000\n-2.686015 6.370689 0.000000\n0.000000 0.000000 7.065834\nHg C N\n4 4 8\ndirect\n0.007296 0.255700 0.886144 Hg\n0.992706 0.744300 0.113855 Hg\n0.992706 0.244300 0.386145 Hg\n0.007296 0.755700 0.613855 Hg\n0.431429 0.776077 0.361224 C\n0.431429 0.276077 0.138776 C\n0.568573 0.223924 0.638776 C\n0.568573 0.723924 0.861223 C\n0.816598 0.284677 0.638373 N\n0.339812 0.674220 0.863144 N\n0.660190 0.825780 0.363145 N\n0.183404 0.715324 0.361627 N\n0.660190 0.325780 0.136855 N\n0.816599 0.784677 0.861627 N\n0.183404 0.215324 0.138373 N\n0.339812 0.174220 0.636855 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hg",
"C",
"N"
],
"chemical_system": "C-Hg-N",
"density": 6.325652402640799,
"density_atomic": 0.06332790834901121,
"volume": 252.65322062780274,
"volume_molar": 9.509457863049773,
"formula_full": "Hg4 C4 N8",
"formula_reduced": "HgCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.792100275,
"spacegroup": 14
},
{
"id": "jvasp-98831",
"created_at": "2022-09-04T14:36:02.698036Z",
"updated_at": "2022-09-04T14:36:02.698055Z",
"structure_string": "Hg4 C8 N8\n1.0\n7.707745 -0.028976 -2.377662\n-4.205397 6.459475 -2.377662\n0.015782 0.028976 8.066125\nHg C N\n4 8 8\ndirect\n0.375000 0.321758 0.446758 Hg\n0.678242 0.125000 0.053242 Hg\n0.071758 0.625000 0.946758 Hg\n0.875000 0.928241 0.553241 Hg\n0.213193 0.360152 0.228260 C\n0.734933 0.381892 0.271740 C\n0.618107 0.889847 0.353041 C\n0.110152 0.463194 0.728260 C\n0.131892 0.984933 0.771739 C\n0.639847 0.868107 0.853041 C\n0.015066 0.786806 0.146959 C\n0.536807 0.265066 0.646959 C\n-0.002526 0.888916 0.267602 N\n0.621315 0.729872 0.732398 N\n0.128685 0.361083 0.608557 N\n0.638917 0.247474 0.767602 N\n0.270128 0.002526 0.891442 N\n0.752525 0.520127 0.391442 N\n0.111083 0.378685 0.108557 N\n0.479872 0.871314 0.232398 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"C",
"N"
],
"chemical_system": "C-Hg-N",
"density": 4.1774149930047555,
"density_atomic": 0.04979119450961023,
"volume": 401.6774491349025,
"volume_molar": 12.094790694040615,
"formula_full": "Hg4 C8 N8",
"formula_reduced": "Hg(CN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.529380219999999,
"spacegroup": 122
},
{
"id": "jvasp-4180",
"created_at": "2022-09-04T14:37:36.866961Z",
"updated_at": "2022-09-04T14:37:36.866982Z",
"structure_string": "Hg4 Cl8\n1.0\n4.320950 0.000000 0.000000\n0.000000 6.022414 0.000000\n0.000000 0.000000 12.674642\nHg Cl\n4 8\ndirect\n0.533283 0.750000 0.625963 Hg\n0.033283 0.250000 0.874037 Hg\n0.466717 0.250000 0.374037 Hg\n0.966717 0.750000 0.125963 Hg\n0.300005 0.750000 0.981765 Cl\n0.800005 0.250000 0.518235 Cl\n0.699995 0.250000 0.018235 Cl\n0.199995 0.750000 0.481765 Cl\n0.635639 0.750000 0.270907 Cl\n0.135639 0.250000 0.229093 Cl\n0.364361 0.250000 0.729093 Cl\n0.864361 0.750000 0.770907 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg",
"density": 5.467477128450219,
"density_atomic": 0.03638276462377307,
"volume": 329.8265023037587,
"volume_molar": 16.552180193764162,
"formula_full": "Hg4 Cl8",
"formula_reduced": "HgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-11160",
"created_at": "2022-09-04T14:37:19.537539Z",
"updated_at": "2022-09-04T14:37:19.537565Z",
"structure_string": "Hg4 Ge2 O8\n1.0\n6.154815 0.001086 -1.682463\n-3.372901 5.148328 -1.682463\n-0.010638 -0.019693 6.733615\nHg Ge O\n4 2 8\ndirect\n0.199140 0.800861 0.250000 Hg\n0.550860 0.449141 0.250000 Hg\n0.800860 0.199141 0.750000 Hg\n0.449140 0.550861 0.750000 Hg\n0.875000 0.125001 0.250000 Ge\n0.125000 0.875001 0.750000 Ge\n0.753248 0.791863 0.083109 O\n0.708753 0.170141 0.416892 O\n0.208138 0.246752 0.416892 O\n0.829860 0.291248 0.083109 O\n0.246752 0.208139 0.916891 O\n0.291247 0.829861 0.583109 O\n0.170140 0.708754 0.916892 O\n0.791862 0.753250 0.583109 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Ge",
"O"
],
"chemical_system": "Ge-Hg-O",
"density": 8.386198991312343,
"density_atomic": 0.06573234038669237,
"volume": 212.98496170439603,
"volume_molar": 9.161610136764875,
"formula_full": "Hg4 Ge2 O8",
"formula_reduced": "Hg2GeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0265655928571429,
"spacegroup": 70
},
{
"id": "jvasp-32197",
"created_at": "2022-09-04T14:35:42.966709Z",
"updated_at": "2022-09-04T14:35:42.966739Z",
"structure_string": "Hg4 H4 Cl4 O16\n1.0\n4.726908 -0.000000 0.000000\n-0.000000 7.232356 0.000000\n0.000000 0.000000 11.391839\nHg H Cl O\n4 4 4 16\ndirect\n0.435811 0.000000 0.750000 Hg\n0.564189 0.000000 0.250000 Hg\n0.435811 0.500000 0.750000 Hg\n0.564189 0.500000 0.250000 Hg\n0.455497 0.750000 0.412721 H\n0.455497 0.250000 0.087279 H\n0.544504 0.250000 0.587279 H\n0.544504 0.750000 0.912721 H\n0.002370 0.750000 0.557079 Cl\n0.002370 0.250000 0.942921 Cl\n0.997631 0.250000 0.442921 Cl\n0.997631 0.750000 0.057079 Cl\n0.419978 0.250000 0.658989 O\n0.068930 0.582300 0.128598 O\n0.068930 0.417700 0.371402 O\n0.931070 0.082300 0.871402 O\n0.931070 0.917700 0.628598 O\n0.674055 0.750000 0.049029 O\n0.674055 0.250000 0.450971 O\n0.325945 0.750000 0.549029 O\n0.068930 0.082300 0.371402 O\n0.068930 0.917700 0.128598 O\n0.931070 0.582300 0.628598 O\n0.931070 0.417700 0.871402 O\n0.580022 0.750000 0.341011 O\n0.580022 0.250000 0.158989 O\n0.419978 0.750000 0.841012 O\n0.325945 0.250000 0.950971 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Hg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Hg-O",
"density": 5.134460659046946,
"density_atomic": 0.07189641703063553,
"volume": 389.4491708546341,
"volume_molar": 8.3761347348282,
"formula_full": "Hg4 H4 Cl4 O16",
"formula_reduced": "HgHClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6974446667857137,
"spacegroup": 57
},
{
"id": "jvasp-12571",
"created_at": "2022-09-04T14:36:51.371920Z",
"updated_at": "2022-09-04T14:36:51.371957Z",
"structure_string": "Hg4 H4 O4 F4\n1.0\n4.977508 0.000000 0.000000\n0.000000 6.042031 0.000000\n0.000000 0.000000 6.974640\nHg H O F\n4 4 4 4\ndirect\n0.254195 0.493287 0.140761 Hg\n0.754195 0.006713 0.859239 Hg\n0.745805 -0.006713 0.359239 Hg\n0.245805 0.506713 0.640761 Hg\n0.643752 0.509162 0.394131 H\n0.143751 0.990838 0.605869 H\n0.356249 0.009162 0.105869 H\n0.856249 0.490838 0.894131 H\n0.465924 0.598218 0.390657 O\n0.034076 0.401782 0.890657 O\n0.534076 0.098218 0.109343 O\n0.965924 0.901782 0.609343 O\n0.399347 0.107994 0.608302 F\n0.600654 0.607994 0.891698 F\n0.899347 0.392006 0.391698 F\n0.100654 0.892005 0.108302 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hg",
"H",
"O",
"F"
],
"chemical_system": "F-H-Hg-O",
"density": 7.492026473620715,
"density_atomic": 0.0762786978449445,
"volume": 209.75712029751736,
"volume_molar": 7.894918149024391,
"formula_full": "Hg4 H4 O4 F4",
"formula_reduced": "HgHOF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.534494595625,
"spacegroup": 19
},
{
"id": "jvasp-12117",
"created_at": "2022-09-04T14:38:15.643735Z",
"updated_at": "2022-09-04T14:38:15.643764Z",
"structure_string": "Hg4 I4 N4 O12\n1.0\n5.392198 0.000000 0.000000\n-0.000000 7.537444 0.000000\n0.000000 0.000000 12.035426\nHg I N O\n4 4 4 12\ndirect\n0.750000 0.597101 0.271931 Hg\n0.250000 0.902898 0.771931 Hg\n0.250000 0.402899 0.728070 Hg\n0.750000 0.097101 0.228070 Hg\n0.750000 0.882626 0.408927 I\n0.250000 0.617373 0.908928 I\n0.750000 0.382626 0.091073 I\n0.250000 0.117375 0.591073 I\n0.750000 0.058114 0.855034 N\n0.750000 0.558113 0.644966 N\n0.250000 0.441886 0.355034 N\n0.250000 0.941886 0.144966 N\n0.750000 0.925944 0.788170 O\n0.454620 0.377420 0.387589 O\n0.954621 0.622580 0.612411 O\n0.545380 0.122580 0.887590 O\n0.750000 0.425944 0.711830 O\n0.045380 0.877419 0.112411 O\n0.545380 0.622580 0.612411 O\n0.954621 0.122580 0.887590 O\n0.250000 0.074055 0.211830 O\n0.454620 0.877419 0.112411 O\n0.045380 0.377420 0.387589 O\n0.250000 0.574055 0.288170 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Hg",
"I",
"N",
"O"
],
"chemical_system": "Hg-I-N-O",
"density": 5.288888993392431,
"density_atomic": 0.04906364905272749,
"volume": 489.16051829344764,
"volume_molar": 12.274139564157068,
"formula_full": "Hg4 I4 N4 O12",
"formula_reduced": "HgINO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.8751274374999995,
"spacegroup": 62
},
{
"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-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-33037",
"created_at": "2022-09-04T14:37:35.531348Z",
"updated_at": "2022-09-04T14:37:35.531374Z",
"structure_string": "Hg4 N12\n1.0\n3.590543 -0.021567 0.000000\n-1.405964 5.882333 0.000000\n0.000000 0.000000 12.669232\nHg N\n4 12\ndirect\n0.893519 0.796829 0.539089 Hg\n0.393519 0.296829 0.960911 Hg\n0.106481 0.203170 0.460911 Hg\n0.606481 0.703170 0.039089 Hg\n0.696410 0.448718 0.601720 N\n0.206061 0.592065 0.310420 N\n0.803589 0.051281 0.101720 N\n0.617201 0.141789 0.272809 N\n0.882798 0.358210 0.772809 N\n0.117202 0.641789 0.227191 N\n0.293940 0.907934 0.810420 N\n0.706060 0.092065 0.189579 N\n0.303590 0.551281 0.398280 N\n0.382799 0.858210 0.727191 N\n0.793939 0.407934 0.689579 N\n0.196411 0.948718 0.898280 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Hg",
"N"
],
"chemical_system": "Hg-N",
"density": 6.0308966898227006,
"density_atomic": 0.059880291525672515,
"volume": 267.1997679426846,
"volume_molar": 10.05696633493864,
"formula_full": "Hg4 N12",
"formula_reduced": "HgN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5990635875,
"spacegroup": 14
},
{
"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
}
]
}