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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=391",
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"results": [
{
"id": "jvasp-110472",
"created_at": "2022-09-04T14:38:38.457658Z",
"updated_at": "2022-09-04T14:38:38.457667Z",
"structure_string": "Tb1 Nd1\n1.0\n3.622396 0.000000 -0.000000\n-1.811198 3.137087 0.000000\n0.000000 -0.000000 5.795906\nTb Nd\n1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666668 0.500000 Nd\n",
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{
"id": "jvasp-12896",
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"updated_at": "2022-09-04T14:38:30.605611Z",
"structure_string": "Pt4 I8\n1.0\n0.000000 6.711074 0.050032\n8.701878 0.000000 0.000000\n0.000000 -1.510726 -6.777316\nPt I\n4 8\ndirect\n0.239024 0.626957 0.496829 Pt\n0.760975 0.126957 0.003172 Pt\n0.760975 0.373043 0.503172 Pt\n0.239024 0.873043 -0.003171 Pt\n0.463861 0.833210 0.733405 I\n0.536138 0.333210 0.766596 I\n0.536138 0.166791 0.266595 I\n0.463861 0.666791 0.233405 I\n0.984193 0.914481 0.229377 I\n0.015806 0.414481 0.270623 I\n0.015806 0.085519 0.770623 I\n0.984193 0.585519 0.729378 I\n",
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{
"id": "jvasp-21199",
"created_at": "2022-09-04T14:35:53.508452Z",
"updated_at": "2022-09-04T14:35:53.508471Z",
"structure_string": "Th1\n1.0\n3.166958 -0.000000 -1.706713\n-0.919770 3.030453 -1.706713\n-0.107047 -0.144359 3.593006\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
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"elements": [
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"density": 11.703431558050442,
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"volume": 32.9226741453478,
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"formula_full": "Th1",
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{
"id": "jvasp-65042",
"created_at": "2022-09-04T14:36:15.102622Z",
"updated_at": "2022-09-04T14:36:15.102652Z",
"structure_string": "Ca4 Sc1 Be1\n1.0\n0.000000 4.622274 4.622274\n4.622274 0.000000 4.622274\n4.622274 4.622274 0.000000\nCa Sc Be\n4 1 1\ndirect\n0.125756 0.624747 0.624747 Ca\n0.624747 0.624747 0.624747 Ca\n0.624747 0.125756 0.624747 Ca\n0.624747 0.624747 0.125756 Ca\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
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"elements": [
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"Be"
],
"chemical_system": "Be-Ca-Sc",
"density": 1.8014983626514693,
"density_atomic": 0.03037765156817361,
"volume": 197.51362235934477,
"volume_molar": 19.82424726442429,
"formula_full": "Ca4 Sc1 Be1",
"formula_reduced": "Ca4ScBe",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-14319",
"created_at": "2022-09-04T14:37:07.063238Z",
"updated_at": "2022-09-04T14:37:07.063260Z",
"structure_string": "P4 Br20\n1.0\n5.630596 0.000000 0.000000\n-0.000000 8.139671 0.000000\n0.000000 0.000000 17.237741\nP Br\n4 20\ndirect\n0.037017 0.750000 0.638223 P\n0.037017 0.250000 0.861777 P\n0.962984 0.250000 0.361777 P\n0.962984 0.750000 0.138223 P\n0.789046 0.250000 0.959942 Br\n0.789046 0.750000 0.540058 Br\n0.610653 0.750000 0.908820 Br\n0.610653 0.250000 0.591180 Br\n0.389347 0.250000 0.091180 Br\n0.389347 0.750000 0.408820 Br\n0.732666 0.469856 0.370080 Br\n0.732666 0.530144 0.129920 Br\n0.267335 0.969856 0.629920 Br\n0.267335 0.530144 0.629920 Br\n0.210954 0.250000 0.459942 Br\n0.267335 0.469856 0.870080 Br\n0.732666 0.030144 0.370080 Br\n0.732666 0.969856 0.129920 Br\n0.834675 0.750000 0.749007 Br\n0.834675 0.250000 0.750993 Br\n0.165326 0.250000 0.250993 Br\n0.165326 0.750000 0.249007 Br\n0.267335 0.030144 0.870080 Br\n0.210954 0.750000 0.040058 Br\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Br-P",
"density": 3.6193816619908175,
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"formula_full": "P4 Br20",
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"spacegroup": 57
},
{
"id": "jvasp-110471",
"created_at": "2022-09-04T14:38:38.287599Z",
"updated_at": "2022-09-04T14:38:38.287624Z",
"structure_string": "Sr1 Ac1 Cd2\n1.0\n4.945214 0.000000 2.855121\n1.648404 4.662393 2.855121\n-0.000000 0.000000 5.710242\nSr Ac Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500000 0.500000 Ac\n0.749999 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"elements": [
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"Ac",
"Cd"
],
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"density": 6.8037033903476205,
"density_atomic": 0.03038166069391849,
"volume": 131.6583724733876,
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"formula_full": "Sr1 Ac1 Cd2",
"formula_reduced": "SrAcCd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-9075",
"created_at": "2022-09-04T14:37:27.746306Z",
"updated_at": "2022-09-04T14:37:27.746336Z",
"structure_string": "Sr8 Si4\n1.0\n5.129226 0.000000 0.000000\n0.000000 8.051020 0.000000\n0.000000 0.000000 9.564604\nSr Si\n8 4\ndirect\n0.750001 0.980907 0.824131 Sr\n0.250000 0.019093 0.175869 Sr\n0.750001 0.480907 0.675869 Sr\n0.250000 0.519093 0.324131 Sr\n0.250000 0.652236 0.922065 Sr\n0.750001 0.347764 0.077935 Sr\n0.250000 0.152236 0.577935 Sr\n0.750001 0.847764 0.422065 Sr\n0.250000 0.252087 0.897583 Si\n0.750001 0.747913 0.102417 Si\n0.250000 0.752087 0.602417 Si\n0.750001 0.247913 0.397583 Si\n",
"nsites": 12,
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"elements": [
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"Si"
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"chemical_system": "Si-Sr",
"density": 3.419252738465286,
"density_atomic": 0.030381660872103065,
"volume": 394.975115103684,
"volume_molar": 19.821631165429892,
"formula_full": "Sr8 Si4",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.440257073333333,
"spacegroup": 62
},
{
"id": "jvasp-106013",
"created_at": "2022-09-04T14:36:05.573471Z",
"updated_at": "2022-09-04T14:36:05.573501Z",
"structure_string": "Pr1 Ho1\n1.0\n3.623854 -0.000000 -0.000000\n-1.811926 3.138349 -0.000000\n-0.000000 0.000000 5.788034\nPr Ho\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333332 0.666667 0.500000 Ho\n",
"nsites": 2,
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"elements": [
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"Ho"
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"chemical_system": "Ho-Pr",
"density": 7.715027819035047,
"density_atomic": 0.03038274384936624,
"volume": 65.82683940317386,
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"formula_full": "Pr1 Ho1",
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"spacegroup": 187
},
{
"id": "jvasp-114557",
"created_at": "2022-09-04T14:38:41.929373Z",
"updated_at": "2022-09-04T14:38:41.929398Z",
"structure_string": "Ba1 Cl2\n1.0\n4.459284 -1.496984 -2.200625\n-1.359829 -4.958969 0.633999\n1.275871 1.750567 -4.703257\nBa Cl\n1 2\ndirect\n0.077504 -0.074692 0.836414 Ba\n0.328482 0.175401 0.335808 Cl\n0.826527 0.675207 0.336986 Cl\n",
"nsites": 3,
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"elements": [
"Ba",
"Cl"
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"chemical_system": "Ba-Cl",
"density": 3.5021105467475233,
"density_atomic": 0.030384525041970964,
"volume": 98.73447078261118,
"volume_molar": 19.819762697233063,
"formula_full": "Ba1 Cl2",
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"formula_anonymous": "AB2",
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"spacegroup": 225
},
{
"id": "jvasp-105474",
"created_at": "2022-09-04T14:36:59.233697Z",
"updated_at": "2022-09-04T14:36:59.233720Z",
"structure_string": "K2 Br1 Cl1\n1.0\n4.337586 0.000688 6.553259\n1.972849 3.862968 6.553259\n0.001125 0.000688 7.858744\nK Br Cl\n2 1 1\ndirect\n0.254184 0.254185 0.254184 K\n0.745816 0.745817 0.745815 K\n0.500000 0.500001 0.499999 Br\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"Br",
"Cl"
],
"chemical_system": "Br-Cl-K",
"density": 2.4416998998294592,
"density_atomic": 0.03038798657432852,
"volume": 131.63096509260544,
"volume_molar": 19.81750500405791,
"formula_full": "K2 Br1 Cl1",
"formula_reduced": "K2BrCl",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-81666",
"created_at": "2022-09-04T14:37:08.113580Z",
"updated_at": "2022-09-04T14:37:08.113611Z",
"structure_string": "K2 Rb1 As1\n1.0\n-12.842837 4.970175 0.721720\n-8.920637 1.700744 3.348579\n-7.277218 6.363235 0.493989\nK Rb As\n2 1 1\ndirect\n-0.242806 -0.004556 -0.004547 K\n0.242806 0.004556 0.004547 K\n0.500000 -0.000000 0.000000 Rb\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"volume": 131.61449446778104,
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"formula_full": "K2 Rb1 As1",
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},
{
"id": "jvasp-32854",
"created_at": "2022-09-04T14:38:04.989770Z",
"updated_at": "2022-09-04T14:38:04.989796Z",
"structure_string": "Si4 Br16\n1.0\n6.665139 0.000000 0.000000\n0.000000 9.768025 -2.134905\n0.000000 0.056684 10.093287\nSi Br\n4 16\ndirect\n0.074943 0.748101 0.862606 Si\n0.425057 0.748102 0.362606 Si\n0.925057 0.251899 0.137395 Si\n0.574944 0.251898 0.637395 Si\n0.888535 0.191936 0.581341 Br\n0.918509 0.694601 0.037665 Br\n0.111466 0.808065 0.418660 Br\n0.581492 0.694601 0.537665 Br\n0.927767 0.430430 0.308926 Br\n0.918794 0.921624 0.802458 Br\n0.581206 0.921624 0.302458 Br\n0.572233 0.430430 0.808926 Br\n0.081206 0.078376 0.197543 Br\n0.081491 0.305399 0.962336 Br\n0.611466 0.191936 0.081341 Br\n0.072233 0.569570 0.691075 Br\n0.418509 0.305399 0.462336 Br\n0.418794 0.078376 0.697543 Br\n0.388534 0.808064 0.918660 Br\n0.427767 0.569570 0.191075 Br\n",
"nsites": 20,
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"elements": [
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"chemical_system": "Br-Si",
"density": 3.5102198223408596,
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"volume": 657.9324982335585,
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"formula_full": "Si4 Br16",
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"formula_anonymous": "AB4",
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"spacegroup": 14
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]
}