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=energy_above_hull&page=118",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=116",
"results": [
{
"id": "jvasp-20800",
"created_at": "2022-09-04T14:38:20.317653Z",
"updated_at": "2022-09-04T14:38:20.317673Z",
"structure_string": "Ca1 F2\n1.0\n3.347562 0.000000 1.932716\n1.115854 3.156111 1.932716\n-0.000000 0.000000 3.865432\nCa F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.750000 0.750002 F\n0.250000 0.250000 0.250001 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"F"
],
"chemical_system": "Ca-F",
"density": 3.174542002612957,
"density_atomic": 0.07345854447693179,
"volume": 40.839360776364025,
"volume_molar": 8.1980126381229,
"formula_full": "Ca1 F2",
"formula_reduced": "CaF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108576",
"created_at": "2022-09-04T14:38:20.337813Z",
"updated_at": "2022-09-04T14:38:20.337834Z",
"structure_string": "K3 Au1 F6\n1.0\n5.586872 -0.000000 3.225582\n1.862291 5.267353 3.225582\n-0.000000 -0.000000 6.451164\nK Au F\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.767140 0.232859 0.232859 F\n0.232859 0.232859 0.767140 F\n0.232859 0.767140 0.767140 F\n0.232859 0.767140 0.232859 F\n0.767140 0.232859 0.767140 F\n0.767140 0.767140 0.232859 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Au",
"F"
],
"chemical_system": "Au-F-K",
"density": 3.7458394198694047,
"density_atomic": 0.05267454243674213,
"volume": 189.84502830772934,
"volume_molar": 11.432734830553304,
"formula_full": "K3 Au1 F6",
"formula_reduced": "K3AuF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38895",
"created_at": "2022-09-04T14:38:13.179590Z",
"updated_at": "2022-09-04T14:38:13.179607Z",
"structure_string": "Tm2 Tl1 Cd1\n1.0\n-0.000000 3.695099 3.695099\n3.695099 0.000000 3.695099\n3.695099 3.695099 -0.000000\nTm Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Tl",
"Cd"
],
"chemical_system": "Cd-Tl-Tm",
"density": 10.773541193057271,
"density_atomic": 0.03964165338186374,
"volume": 100.90396486414011,
"volume_molar": 15.191446991348652,
"formula_full": "Tm2 Tl1 Cd1",
"formula_reduced": "Tm2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109837",
"created_at": "2022-09-04T14:38:13.305153Z",
"updated_at": "2022-09-04T14:38:13.305177Z",
"structure_string": "Na2 Al1 Ag1 Cl6\n1.0\n6.089481 -0.000000 3.515763\n2.029827 5.741218 3.515763\n-0.000000 -0.000000 7.031527\nNa Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.766154 0.233846 0.233845 Cl\n0.233846 0.233846 0.766154 Cl\n0.233846 0.766154 0.766154 Cl\n0.233846 0.766154 0.233845 Cl\n0.766154 0.233846 0.766154 Cl\n0.766154 0.766154 0.233845 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Al",
"Ag",
"Cl"
],
"chemical_system": "Ag-Al-Cl-Na",
"density": 2.658349285835578,
"density_atomic": 0.04067860336782638,
"volume": 245.82948213775757,
"volume_molar": 14.804197443914818,
"formula_full": "Na2 Al1 Ag1 Cl6",
"formula_reduced": "Na2AlAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-20597",
"created_at": "2022-09-04T14:38:13.324815Z",
"updated_at": "2022-09-04T14:38:13.324840Z",
"structure_string": "Sr2 Ge2\n1.0\n4.207641 -0.000000 -0.000000\n0.000000 4.425829 -1.873185\n-0.000000 0.009938 6.188590\nSr Ge\n2 2\ndirect\n0.750000 0.136922 0.273845 Sr\n0.250000 0.863079 0.726155 Sr\n0.750000 0.427592 0.855183 Ge\n0.250000 0.572409 0.144817 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ge"
],
"chemical_system": "Ge-Sr",
"density": 4.615132121114032,
"density_atomic": 0.03468485619487174,
"volume": 115.32410506552459,
"volume_molar": 17.362449843140457,
"formula_full": "Sr2 Ge2",
"formula_reduced": "SrGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-110214",
"created_at": "2022-09-04T14:38:20.634495Z",
"updated_at": "2022-09-04T14:38:20.634516Z",
"structure_string": "Mg4 Cd1 Ag5\n1.0\n3.317551 0.000000 0.000000\n0.000000 3.317551 0.000000\n0.000000 -0.000000 16.652277\nMg Cd Ag\n4 1 5\ndirect\n0.500000 0.500000 0.202974 Mg\n0.500000 0.500000 0.400959 Mg\n0.500000 0.500000 0.599041 Mg\n0.500000 0.500000 0.797026 Mg\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.893048 Ag\n0.000000 0.000000 0.106953 Ag\n0.000000 0.000000 0.301532 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.698468 Ag\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Mg",
"density": 6.785874716382297,
"density_atomic": 0.0545621101134642,
"volume": 183.27736920739648,
"volume_molar": 11.037221154894311,
"formula_full": "Mg4 Cd1 Ag5",
"formula_reduced": "Mg4CdAg5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-64602",
"created_at": "2022-09-04T14:38:07.973781Z",
"updated_at": "2022-09-04T14:38:07.973800Z",
"structure_string": "Ba4 In1 Cl1\n1.0\n-0.000000 5.077144 5.077144\n5.077144 -0.000000 5.077144\n5.077144 5.077144 -0.000000\nBa In Cl\n4 1 1\ndirect\n0.124134 0.625289 0.625289 Ba\n0.625289 0.625289 0.625289 Ba\n0.625289 0.124134 0.625289 Ba\n0.625289 0.625289 0.124134 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Cl"
],
"chemical_system": "Ba-Cl-In",
"density": 4.438103463100943,
"density_atomic": 0.022922543791171767,
"volume": 261.75105410032194,
"volume_molar": 26.271694864508568,
"formula_full": "Ba4 In1 Cl1",
"formula_reduced": "Ba4InCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-108896",
"created_at": "2022-09-04T14:38:20.338286Z",
"updated_at": "2022-09-04T14:38:20.338302Z",
"structure_string": "Tl3 Bi1\n1.0\n5.014692 -0.000000 0.000000\n0.000000 5.014692 0.000000\n0.000000 0.000000 5.014692\nTl Bi\n3 1\ndirect\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Bi"
],
"chemical_system": "Bi-Tl",
"density": 10.825724234726385,
"density_atomic": 0.03171956328236302,
"volume": 126.10514099429967,
"volume_molar": 18.985572740682976,
"formula_full": "Tl3 Bi1",
"formula_reduced": "Tl3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-98564",
"created_at": "2022-09-04T14:38:08.829219Z",
"updated_at": "2022-09-04T14:38:08.829234Z",
"structure_string": "Rb4 Yb4 I12\n1.0\n4.606649 -0.000000 0.000000\n0.000000 10.352758 0.000000\n0.000000 0.000000 17.044280\nYb Rb I\n4 4 12\ndirect\n0.750000 0.834212 0.056118 Yb\n0.750000 0.334212 0.443882 Yb\n0.250000 0.665788 0.556119 Yb\n0.250000 0.165788 0.943882 Yb\n0.750000 0.070708 0.675909 Rb\n0.250000 0.929293 0.324091 Rb\n0.250000 0.429292 0.175909 Rb\n0.750000 0.570708 0.824091 Rb\n0.750000 0.975915 0.892886 I\n0.750000 0.475915 0.607114 I\n0.750000 0.336614 0.010052 I\n0.250000 0.024085 0.107114 I\n0.750000 0.836614 0.489948 I\n0.750000 0.705832 0.216099 I\n0.250000 0.163386 0.510052 I\n0.750000 0.205832 0.283901 I\n0.250000 0.663386 0.989948 I\n0.250000 0.524085 0.392886 I\n0.250000 0.794169 0.716099 I\n0.250000 0.294169 0.783901 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"Rb",
"I"
],
"chemical_system": "I-Rb-Yb",
"density": 5.223245279826807,
"density_atomic": 0.02460425109328963,
"volume": 812.8676595019241,
"volume_molar": 24.47601732386169,
"formula_full": "Rb4 Yb4 I12",
"formula_reduced": "RbYbI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-34954",
"created_at": "2022-09-04T14:38:29.114122Z",
"updated_at": "2022-09-04T14:38:29.114147Z",
"structure_string": "Na6 Ho2 Cl12\n1.0\n0.000000 6.740552 -0.017965\n7.251460 0.000000 0.000000\n0.000000 -6.575418 -10.055521\nNa Ho Cl\n6 2 12\ndirect\n0.499999 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.289862 0.913207 0.257088 Na\n0.710137 0.413207 0.242911 Na\n0.710137 0.086793 0.742911 Na\n0.289862 0.586793 0.757088 Na\n0.000000 0.500000 0.000000 Ho\n-0.000000 0.000000 0.500000 Ho\n0.386731 0.820574 0.568551 Cl\n0.613268 0.320574 0.931448 Cl\n0.753666 0.692559 0.421258 Cl\n0.246333 0.192559 0.078741 Cl\n0.246333 0.307441 0.578741 Cl\n0.905225 0.061899 0.258929 Cl\n0.094774 0.938101 0.741071 Cl\n0.905225 0.438101 0.758929 Cl\n0.386731 0.679426 0.068551 Cl\n0.094774 0.561899 0.241071 Cl\n0.753665 0.807441 0.921258 Cl\n0.613268 0.179426 0.431449 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Ho",
"Cl"
],
"chemical_system": "Cl-Ho-Na",
"density": 3.012542776516516,
"density_atomic": 0.04062078055385776,
"volume": 492.35883031549963,
"volume_molar": 14.82527090294447,
"formula_full": "Na6 Ho2 Cl12",
"formula_reduced": "Na3HoCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-109445",
"created_at": "2022-09-04T14:38:20.402037Z",
"updated_at": "2022-09-04T14:38:20.402064Z",
"structure_string": "K2 Rb1 Ru1 F6\n1.0\n5.589075 -0.000000 3.226854\n1.863025 5.269431 3.226854\n-0.000000 -0.000000 6.453708\nK Rb Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Ru\n0.780326 0.219675 0.219674 F\n0.219676 0.219675 0.780324 F\n0.219676 0.780325 0.780324 F\n0.219676 0.780325 0.219674 F\n0.780326 0.219675 0.780324 F\n0.780326 0.780325 0.219674 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Ru",
"F"
],
"chemical_system": "F-K-Rb-Ru",
"density": 3.308719059417667,
"density_atomic": 0.0526122686125606,
"volume": 190.06973589450217,
"volume_molar": 11.446267037727168,
"formula_full": "K2 Rb1 Ru1 F6",
"formula_reduced": "K2RbRuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110084",
"created_at": "2022-09-04T14:38:20.578398Z",
"updated_at": "2022-09-04T14:38:20.578414Z",
"structure_string": "Ag1 Pb1 F6\n1.0\n4.575425 0.043056 2.282839\n2.672883 4.454534 0.064578\n-0.247895 0.179519 5.798652\nAg Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n0.846584 0.905254 0.740249 F\n0.153416 0.094746 0.259751 F\n0.816177 0.757560 0.249802 F\n0.183822 0.242440 0.750198 F\n0.537575 0.556535 0.732275 F\n0.462424 0.443465 0.267725 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"F"
],
"chemical_system": "Ag-F-Pb",
"density": 5.884293108050365,
"density_atomic": 0.06607216785080844,
"volume": 121.07972630872462,
"volume_molar": 9.114489437667686,
"formula_full": "Ag1 Pb1 F6",
"formula_reduced": "AgPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 2
}
]
}