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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4093",
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"results": [
{
"id": "jvasp-100898",
"created_at": "2022-09-04T14:37:06.901927Z",
"updated_at": "2022-09-04T14:37:06.901947Z",
"structure_string": "K2 Hg1 As1 I6\n1.0\n7.263559 -0.000000 4.193618\n2.421186 6.848149 4.193618\n-0.000000 -0.000000 8.387235\nK Hg As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.757184 0.242817 0.242817 I\n0.242817 0.242817 0.757184 I\n0.242817 0.757184 0.757184 I\n0.242817 0.757184 0.242817 I\n0.757184 0.242817 0.757184 I\n0.757184 0.757184 0.242817 I\n",
"nsites": 10,
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],
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"density": 4.438488214587284,
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"volume": 417.1972923478757,
"volume_molar": 25.124208192097782,
"formula_full": "K2 Hg1 As1 I6",
"formula_reduced": "K2HgAsI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-108980",
"created_at": "2022-09-04T14:38:27.228665Z",
"updated_at": "2022-09-04T14:38:27.228694Z",
"structure_string": "K2 Hg1 Au1 Br6\n1.0\n6.706395 -0.000000 3.871939\n2.235465 6.322850 3.871939\n-0.000000 -0.000000 7.743878\nK Hg Au Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.755230 0.244770 0.244770 Br\n0.244771 0.244770 0.755230 Br\n0.244771 0.755230 0.755229 Br\n0.244771 0.755230 0.244770 Br\n0.755230 0.244770 0.755229 Br\n0.755231 0.755230 0.244770 Br\n",
"nsites": 10,
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"elements": [
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"Br"
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"volume": 328.3677601911936,
"volume_molar": 19.77476872917293,
"formula_full": "K2 Hg1 Au1 Br6",
"formula_reduced": "K2HgAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106908",
"created_at": "2022-09-04T14:36:54.236778Z",
"updated_at": "2022-09-04T14:36:54.236797Z",
"structure_string": "K2 Hg1 Bi1 Br6\n1.0\n7.057628 -0.000000 4.074723\n2.352543 6.653996 4.074723\n-0.000000 -0.000000 8.149447\nK Hg Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.752038 0.247962 0.247962 Br\n0.247962 0.247962 0.752038 Br\n0.247962 0.752038 0.752037 Br\n0.247962 0.752038 0.247962 Br\n0.752038 0.247962 0.752037 Br\n0.752037 0.752038 0.247962 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Hg",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Hg-K",
"density": 4.1965452037437565,
"density_atomic": 0.026129467635018635,
"volume": 382.709672454177,
"volume_molar": 23.047315177325487,
"formula_full": "K2 Hg1 Bi1 Br6",
"formula_reduced": "K2HgBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105018",
"created_at": "2022-09-04T14:36:47.314451Z",
"updated_at": "2022-09-04T14:36:47.314476Z",
"structure_string": "K2 Hg1 Bi1 Cl6\n1.0\n6.740251 -0.000000 3.891485\n2.246750 6.354769 3.891485\n-0.000000 -0.000000 7.782971\nK Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 Bi\n0.754222 0.245778 0.245778 Cl\n0.245778 0.245778 0.754223 Cl\n0.245778 0.754222 0.754223 Cl\n0.245778 0.754222 0.245778 Cl\n0.754222 0.245778 0.754223 Cl\n0.754222 0.754222 0.245779 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-K",
"density": 3.489206615966978,
"density_atomic": 0.029997064018983804,
"volume": 333.36595853752374,
"volume_molar": 20.075767269052918,
"formula_full": "K2 Hg1 Bi1 Cl6",
"formula_reduced": "K2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106910",
"created_at": "2022-09-04T14:36:54.680316Z",
"updated_at": "2022-09-04T14:36:54.680335Z",
"structure_string": "K2 Hg1 Bi1 F6\n1.0\n5.820836 -0.000000 3.360661\n1.940279 5.487937 3.360661\n-0.000000 -0.000000 6.721322\nK Hg Bi F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Bi\n0.763345 0.236655 0.236655 F\n0.236655 0.236655 0.763344 F\n0.236655 0.763345 0.763344 F\n0.236655 0.763345 0.236655 F\n0.763345 0.236655 0.763344 F\n0.763345 0.763345 0.236654 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Hg",
"Bi",
"F"
],
"chemical_system": "Bi-F-Hg-K",
"density": 4.6539463092750415,
"density_atomic": 0.04657478059993353,
"volume": 214.70847250785056,
"volume_molar": 12.930046438068663,
"formula_full": "K2 Hg1 Bi1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-116525",
"created_at": "2022-09-04T14:38:43.515976Z",
"updated_at": "2022-09-04T14:38:43.516004Z",
"structure_string": "K2 Hg2 Br6 O2\n1.0\n8.180117 -0.085363 0.000000\n-6.977048 4.271114 0.000000\n-0.000000 -0.000000 10.107012\nK Hg Br O\n2 2 6 2\ndirect\n0.758758 0.241243 0.329572 K\n0.241242 0.758757 0.829571 K\n-0.000010 0.000010 0.579827 Hg\n0.000010 -0.000010 0.079827 Hg\n0.844917 0.155084 0.632369 Br\n0.155083 0.844915 0.132369 Br\n0.845001 0.155000 0.026794 Br\n0.154999 0.845000 0.526794 Br\n0.539450 0.460550 0.829571 Br\n0.460550 0.539450 0.329571 Br\n0.346808 0.653192 0.329566 O\n0.653192 0.346808 0.829565 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-K-O",
"density": 4.7400016617779155,
"density_atomic": 0.03457203210222983,
"volume": 347.10137849334063,
"volume_molar": 17.419111327307782,
"formula_full": "K2 Hg2 Br6 O2",
"formula_reduced": "KHgBr3O",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-58319",
"created_at": "2022-09-04T14:37:36.607885Z",
"updated_at": "2022-09-04T14:37:36.607906Z",
"structure_string": "K4 Hg2 C8 N8\n1.0\n7.838969 -0.000000 4.525831\n2.612990 7.390651 4.525831\n-0.000000 -0.000000 9.051662\nK Hg C N\n4 2 8 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.125000 0.125000 0.125000 Hg\n0.875000 0.875000 0.875000 Hg\n0.775932 0.775932 0.172206 C\n0.224068 0.827794 0.224068 C\n0.172206 0.775932 0.775931 C\n0.775932 0.172206 0.775931 C\n0.827794 0.224068 0.224068 C\n0.224068 0.224068 0.827794 C\n0.775932 0.775932 0.775931 C\n0.224068 0.224068 0.224068 C\n0.330430 0.723190 0.723190 N\n0.723190 0.330430 0.723189 N\n0.723190 0.723190 0.723189 N\n0.276810 0.669570 0.276810 N\n0.276810 0.276810 0.669570 N\n0.276810 0.276810 0.276810 N\n0.723190 0.723190 0.330429 N\n0.669570 0.276810 0.276810 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Hg",
"C",
"N"
],
"chemical_system": "C-Hg-K-N",
"density": 2.4246262769594673,
"density_atomic": 0.04195200393468792,
"volume": 524.408799023051,
"volume_molar": 14.354834561360743,
"formula_full": "K4 Hg2 C8 N8",
"formula_reduced": "K2Hg(CN)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 4.535169418181819,
"spacegroup": 227
},
{
"id": "jvasp-88927",
"created_at": "2022-09-04T14:35:56.042545Z",
"updated_at": "2022-09-04T14:35:56.042571Z",
"structure_string": "K2 Hg3 Ge2 S8\n1.0\n6.412299 0.101927 0.351317\n0.957603 6.341212 0.351317\n-0.060631 -0.053006 9.743263\nK Hg Ge S\n2 3 2 8\ndirect\n0.614408 0.933878 0.237751 K\n0.066122 0.385592 0.762249 K\n0.481000 0.519000 0.000000 Hg\n0.162940 0.837060 0.500000 Hg\n0.650718 0.349281 0.500000 Hg\n0.572493 0.897208 0.733818 Ge\n0.102791 0.427507 0.266182 Ge\n0.246449 0.277193 0.069098 S\n0.722807 0.753551 0.930902 S\n0.229900 0.853477 0.746563 S\n0.146523 0.770099 0.253438 S\n0.760079 0.389701 0.256327 S\n0.236519 0.267040 0.453995 S\n0.732959 0.763481 0.546006 S\n0.610299 0.239921 0.743674 S\n",
"nsites": 15,
"nelements": 4,
"elements": [
"K",
"Hg",
"Ge",
"S"
],
"chemical_system": "Ge-Hg-K-S",
"density": 4.542326721405761,
"density_atomic": 0.03793035979803953,
"volume": 395.4615795860521,
"volume_molar": 15.876835316260989,
"formula_full": "K2 Hg3 Ge2 S8",
"formula_reduced": "K2Hg3(GeS4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 0.7797834466666669,
"spacegroup": 5
},
{
"id": "jvasp-22977",
"created_at": "2022-09-04T14:37:33.415841Z",
"updated_at": "2022-09-04T14:37:33.415860Z",
"structure_string": "K4 Hg6 Ge4 S16\n1.0\n6.416210 -0.086616 -0.000000\n-0.990436 6.339896 0.000000\n-0.000000 -0.000000 19.368478\nK Hg Ge S\n4 6 4 16\ndirect\n0.049300 0.635212 0.618465 K\n0.635211 0.049300 0.381535 K\n0.549300 0.135211 0.881535 K\n0.135211 0.549301 0.118465 K\n0.486555 0.486556 0.500000 Hg\n0.117254 0.199701 0.743780 Hg\n0.199701 0.117254 0.256220 Hg\n0.617253 0.699701 0.756220 Hg\n0.699700 0.617254 0.243780 Hg\n0.986555 0.986556 0.000000 Hg\n0.554031 0.124109 0.632729 Ge\n0.124109 0.554032 0.367271 Ge\n0.054031 0.624109 0.867271 Ge\n0.624109 0.054031 0.132729 Ge\n0.276028 0.696170 0.272943 S\n0.780846 0.593889 0.367952 S\n0.776028 0.196169 0.227057 S\n0.722643 0.253994 0.534442 S\n0.253994 0.722644 0.465558 S\n0.222643 0.753995 0.965558 S\n0.753994 0.222643 0.034442 S\n0.212011 0.164957 0.621617 S\n0.164957 0.212011 0.378383 S\n0.712010 0.664957 0.878383 S\n0.664957 0.712011 0.121617 S\n0.093889 0.280846 0.867952 S\n0.280846 0.093889 0.132049 S\n0.593889 0.780846 0.632049 S\n0.196169 0.776029 0.772944 S\n0.696169 0.276028 0.727057 S\n",
"nsites": 30,
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],
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"density": 4.569548914514871,
"density_atomic": 0.038157676687037054,
"volume": 786.2113892849146,
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"formula_full": "K4 Hg6 Ge4 S16",
"formula_reduced": "K2Hg3(GeS4)2",
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"spacegroup": 41
},
{
"id": "jvasp-22883",
"created_at": "2022-09-04T14:37:48.104213Z",
"updated_at": "2022-09-04T14:37:48.104231Z",
"structure_string": "K4 Hg6 Ge4 Se16\n1.0\n6.679215 -0.078821 0.000000\n-1.073002 6.592935 -0.000000\n0.000000 0.000000 20.144776\nK Hg Ge Se\n4 6 4 16\ndirect\n0.104125 0.527434 0.620671 K\n0.527435 0.104125 0.379330 K\n0.604125 0.027435 0.879330 K\n0.027435 0.604124 0.120671 K\n0.584556 0.673537 0.259278 Hg\n0.673538 0.584555 0.740723 Hg\n0.084556 0.173538 0.240722 Hg\n0.173538 0.084555 0.759278 Hg\n0.466688 0.466688 0.000000 Hg\n0.966689 0.966688 0.500000 Hg\n0.097763 0.530518 0.869051 Ge\n0.530519 0.097763 0.130949 Ge\n0.030518 0.597763 0.369051 Ge\n0.597764 0.030518 0.630949 Ge\n0.173439 0.758338 0.272369 Se\n0.730220 0.208872 0.531120 Se\n0.208873 0.730219 0.468880 Se\n0.136468 0.180888 0.883032 Se\n0.180888 0.136468 0.116968 Se\n0.636468 0.680887 0.616968 Se\n0.680888 0.636467 0.383032 Se\n0.248300 0.074324 0.632352 Se\n0.074324 0.248299 0.367648 Se\n0.748300 0.574323 0.867648 Se\n0.708873 0.230219 0.031120 Se\n0.258339 0.673438 0.772369 Se\n0.673439 0.258339 0.227631 Se\n0.758340 0.173439 0.727632 Se\n0.230219 0.708872 0.968880 Se\n0.574324 0.748299 0.132352 Se\n",
"nsites": 30,
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"elements": [
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"Ge",
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],
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"density": 5.464935193879359,
"density_atomic": 0.03388359680562419,
"volume": 885.3841630833134,
"volume_molar": 17.77302685587503,
"formula_full": "K4 Hg6 Ge4 Se16",
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},
{
"id": "jvasp-105630",
"created_at": "2022-09-04T14:35:54.729275Z",
"updated_at": "2022-09-04T14:35:54.729299Z",
"structure_string": "K2 Hg1 Pd1 F6\n1.0\n5.422412 -0.000000 3.130631\n1.807471 5.112299 3.130631\n-0.000000 -0.000000 6.261262\nK Hg Pd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n0.762738 0.237261 0.237261 F\n0.237261 0.237261 0.762738 F\n0.237261 0.762739 0.762738 F\n0.237261 0.762739 0.237261 F\n0.762738 0.237261 0.762738 F\n0.762738 0.762739 0.237261 F\n",
"nsites": 10,
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"elements": [
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"Pd",
"F"
],
"chemical_system": "F-Hg-K-Pd",
"density": 4.775847437988267,
"density_atomic": 0.057614177215803856,
"volume": 173.56839033808072,
"volume_molar": 10.452532781025463,
"formula_full": "K2 Hg1 Pd1 F6",
"formula_reduced": "K2HgPdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106208",
"created_at": "2022-09-04T14:36:38.266080Z",
"updated_at": "2022-09-04T14:36:38.266102Z",
"structure_string": "K2 Hg1 Rh1 F6\n1.0\n5.425572 -0.000000 3.132456\n1.808524 5.115278 3.132456\n0.000000 0.000000 6.264911\nK Hg Rh F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 Rh\n0.772011 0.227989 0.227990 F\n0.227988 0.227989 0.772012 F\n0.227988 0.772012 0.772012 F\n0.227988 0.772012 0.227990 F\n0.772011 0.227989 0.772012 F\n0.772010 0.772012 0.227990 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "F-Hg-K-Rh",
"density": 4.73394297991619,
"density_atomic": 0.0575135694329748,
"volume": 173.8720113981763,
"volume_molar": 10.47081726864142,
"formula_full": "K2 Hg1 Rh1 F6",
"formula_reduced": "K2HgRhF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}