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=77",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=75",
"results": [
{
"id": "jvasp-99437",
"created_at": "2022-09-04T14:36:21.498656Z",
"updated_at": "2022-09-04T14:36:21.498680Z",
"structure_string": "Yb6 Tm2\n1.0\n7.278986 0.000000 0.000000\n-3.639493 6.303786 0.000000\n-0.000000 -0.000000 5.953590\nYb Tm\n6 2\ndirect\n0.170107 0.340213 0.250000 Yb\n0.659788 0.829894 0.250000 Yb\n0.170107 0.829894 0.250000 Yb\n0.829895 0.659787 0.750000 Yb\n0.340213 0.170107 0.750000 Yb\n0.829894 0.170107 0.750000 Yb\n0.333334 0.666667 0.750000 Tm\n0.666667 0.333334 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Tm"
],
"chemical_system": "Tm-Yb",
"density": 8.364702145203799,
"density_atomic": 0.029284561023933973,
"volume": 273.18148950437336,
"volume_molar": 20.564217285272488,
"formula_full": "Yb6 Tm2",
"formula_reduced": "Yb3Tm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-14610",
"created_at": "2022-09-04T14:36:47.309313Z",
"updated_at": "2022-09-04T14:36:47.309326Z",
"structure_string": "Mo1\n1.0\n2.582157 0.000000 -0.912931\n-1.291079 2.236214 -0.912931\n0.000000 0.000000 2.738792\nMo\n1\ndirect\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 10.07380997149699,
"density_atomic": 0.06323316829144394,
"volume": 15.814485135253134,
"volume_molar": 9.523705553142202,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 229
},
{
"id": "jvasp-103209",
"created_at": "2022-09-04T14:36:34.529615Z",
"updated_at": "2022-09-04T14:36:34.529647Z",
"structure_string": "Rb3 Au1 F6\n1.0\n5.768280 -0.000000 3.330318\n1.922760 5.438386 3.330318\n-0.000000 -0.000000 6.660636\nRb Au F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.750001 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Au\n0.226100 0.226100 0.773900 F\n0.226100 0.773900 0.773900 F\n0.773900 0.773900 0.226101 F\n0.226100 0.773900 0.226100 F\n0.773900 0.226100 0.773901 F\n0.773900 0.226100 0.226101 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Au",
"F"
],
"chemical_system": "Au-F-Rb",
"density": 4.508956500011848,
"density_atomic": 0.04785947573696331,
"volume": 208.94503849060553,
"volume_molar": 12.582964328940443,
"formula_full": "Rb3 Au1 F6",
"formula_reduced": "Rb3AuF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93832",
"created_at": "2022-09-04T14:35:46.567895Z",
"updated_at": "2022-09-04T14:35:46.567924Z",
"structure_string": "Ca2 Cl2 O2\n1.0\n-1.968600 -3.409615 0.000000\n-1.968600 3.409615 0.000000\n0.000000 0.000000 -9.191588\nCa Cl O\n2 2 2\ndirect\n0.333332 0.666668 0.812242 Ca\n0.666668 0.333332 0.312242 Ca\n0.333322 0.666678 0.506190 Cl\n0.666678 0.333322 0.006189 Cl\n0.000007 0.999993 0.264569 O\n0.999993 0.000007 0.764569 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-O",
"density": 2.4635483176868047,
"density_atomic": 0.04862592562678002,
"volume": 123.39096732167064,
"volume_molar": 12.384629562061015,
"formula_full": "Ca2 Cl2 O2",
"formula_reduced": "CaClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-65131",
"created_at": "2022-09-04T14:35:41.890638Z",
"updated_at": "2022-09-04T14:35:41.890657Z",
"structure_string": "Be1 Zn1 Cd4\n1.0\n0.000000 4.016365 4.016365\n4.016365 -0.000000 4.016365\n4.016365 4.016365 -0.000000\nBe Zn Cd\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124247 0.625252 0.625252 Cd\n0.625252 0.625252 0.625252 Cd\n0.625252 0.124247 0.625252 Cd\n0.625252 0.625252 0.124247 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Cd"
],
"chemical_system": "Be-Cd-Zn",
"density": 6.715910304162178,
"density_atomic": 0.04630434371865103,
"volume": 129.5774762829269,
"volume_molar": 13.00556335835579,
"formula_full": "Be1 Zn1 Cd4",
"formula_reduced": "BeZnCd4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-92936",
"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Rb",
"density": 2.287126172274002,
"density_atomic": 0.03660450241331852,
"volume": 218.5523493713496,
"volume_molar": 16.45191264178706,
"formula_full": "Rb1 Mg6 Ga1",
"formula_reduced": "RbMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-105944",
"created_at": "2022-09-04T14:36:08.944077Z",
"updated_at": "2022-09-04T14:36:08.944098Z",
"structure_string": "K1 In2 Ga2\n1.0\n4.454075 0.010803 -5.085820\n-0.621617 4.410499 -5.085820\n-0.009364 -0.010803 6.760493\nK In Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.250000 0.500001 In\n0.250000 0.750000 0.500000 In\n0.390996 0.390996 0.000000 Ga\n0.609004 0.609004 0.000000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"In",
"Ga"
],
"chemical_system": "Ga-In-K",
"density": 5.120691247754342,
"density_atomic": 0.03777438976493167,
"volume": 132.36481200926806,
"volume_molar": 15.942390591815014,
"formula_full": "K1 In2 Ga2",
"formula_reduced": "K(InGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-94204",
"created_at": "2022-09-04T14:36:00.219081Z",
"updated_at": "2022-09-04T14:36:00.219108Z",
"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.406087 -0.043768 0.000000\n-3.240948 5.525949 0.000000\n0.000000 0.000000 4.929089\nMg Fe Bi\n6 1 1\ndirect\n0.161951 0.810253 0.250000 Mg\n0.689747 0.338049 0.250000 Mg\n0.666771 0.833229 0.250000 Mg\n0.327121 0.644643 0.750000 Mg\n0.855358 0.172879 0.750000 Mg\n0.831649 0.668351 0.750000 Mg\n0.135125 0.364875 0.250000 Fe\n0.332278 0.167722 0.750000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"Bi"
],
"chemical_system": "Bi-Fe-Mg",
"density": 3.92377434889977,
"density_atomic": 0.04603279820056938,
"volume": 173.78913107005187,
"volume_molar": 13.08228262327427,
"formula_full": "Mg6 Fe1 Bi1",
"formula_reduced": "Mg6FeBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-100983",
"created_at": "2022-09-04T14:36:31.166374Z",
"updated_at": "2022-09-04T14:36:31.166392Z",
"structure_string": "K3 Na1\n1.0\n6.213246 -0.000000 0.000000\n0.000000 6.213246 0.000000\n-0.000000 -0.000000 6.213246\nK Na\n3 1\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Na"
],
"chemical_system": "K-Na",
"density": 0.9711887956237653,
"density_atomic": 0.016676478374493833,
"volume": 239.85879453529458,
"volume_molar": 36.11158558038657,
"formula_full": "K3 Na1",
"formula_reduced": "K3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-101482",
"created_at": "2022-09-04T14:36:35.483015Z",
"updated_at": "2022-09-04T14:36:35.483041Z",
"structure_string": "K3 Pd1 F6\n1.0\n5.472310 -0.000000 3.159440\n1.824103 5.159343 3.159440\n-0.000000 -0.000000 6.318879\nK Pd F\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.772401 0.227598 0.227599 F\n0.227598 0.227598 0.772402 F\n0.227598 0.772401 0.772402 F\n0.227598 0.772401 0.227599 F\n0.772401 0.227598 0.772402 F\n0.772401 0.772401 0.227599 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Pd",
"F"
],
"chemical_system": "F-K-Pd",
"density": 3.1432712956735736,
"density_atomic": 0.05605248457678239,
"volume": 178.4042237467939,
"volume_molar": 10.743753475817275,
"formula_full": "K3 Pd1 F6",
"formula_reduced": "K3PdF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-90183",
"created_at": "2022-09-04T14:35:56.418121Z",
"updated_at": "2022-09-04T14:35:56.418142Z",
"structure_string": "Yb3 Cd3 Ge3\n1.0\n0.000000 0.000000 -4.378517\n-3.643790 -6.311229 0.000000\n-3.643780 6.311223 0.000000\nYb Cd Ge\n3 3 3\ndirect\n0.500000 0.582292 -0.000000 Yb\n0.500000 0.417685 0.417696 Yb\n0.500000 0.999989 0.582304 Yb\n0.000000 0.257054 -0.000000 Cd\n0.000000 0.742925 0.742936 Cd\n0.000000 0.999989 0.257064 Cd\n0.000000 0.333324 0.666666 Ge\n0.000000 0.666657 0.333334 Ge\n0.500000 0.999987 -0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Ge"
],
"chemical_system": "Cd-Ge-Yb",
"density": 8.858093218795899,
"density_atomic": 0.0446908893945046,
"volume": 201.38332715989048,
"volume_molar": 13.475097143044351,
"formula_full": "Yb3 Cd3 Ge3",
"formula_reduced": "YbCdGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-81637",
"created_at": "2022-09-04T14:37:15.187508Z",
"updated_at": "2022-09-04T14:37:15.187535Z",
"structure_string": "Na1 Ga1 Hg2\n1.0\n-10.339861 0.000000 -5.969722\n-6.815439 0.449114 -0.134756\n-5.930147 2.953096 -1.668126\nNa Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 -0.000000 Ga\n0.739929 0.000000 -0.000000 Hg\n0.260071 0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Na",
"density": 7.602020429515981,
"density_atomic": 0.03707722805458411,
"volume": 107.88293003218325,
"volume_molar": 16.24215475637597,
"formula_full": "Na1 Ga1 Hg2",
"formula_reduced": "NaGaHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
}
]
}