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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1070",
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"results": [
{
"id": "jvasp-23735",
"created_at": "2022-09-04T14:37:34.039793Z",
"updated_at": "2022-09-04T14:37:34.039816Z",
"structure_string": "Tl4 Ru4 O14\n1.0\n6.329409 -0.000000 3.654286\n2.109803 5.967424 3.654286\n-0.000000 -0.000000 7.308572\nTl Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500001 Tl\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000001 Tl\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000001 Ru\n0.068956 0.681043 0.068957 O\n0.681043 0.068957 0.681043 O\n0.681043 0.068957 0.068957 O\n0.625000 0.625000 0.625001 O\n0.931043 0.318956 0.318957 O\n0.318956 0.931043 0.318958 O\n0.318957 0.318956 0.931043 O\n0.931043 0.931043 0.318958 O\n0.931043 0.318956 0.931044 O\n0.068956 0.681043 0.681044 O\n0.318956 0.931043 0.931044 O\n0.375000 0.375000 0.375000 O\n0.681043 0.681043 0.068958 O\n0.068957 0.068957 0.681043 O\n",
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"formula_full": "Tl4 Ru4 O14",
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"spacegroup": 227
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{
"id": "jvasp-94849",
"created_at": "2022-09-04T14:36:17.149602Z",
"updated_at": "2022-09-04T14:36:17.149627Z",
"structure_string": "Tl2 Rh3 S2\n1.0\n-4.978706 -0.000000 2.848447\n-3.304189 4.688656 -0.000000\n-4.973970 0.003337 -2.918556\nTl Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.500000 Tl\n0.500000 0.000000 0.500000 Rh\n-0.000001 0.500001 0.500000 Rh\n-0.000000 0.000000 0.500000 Rh\n0.719278 0.719279 0.842166 S\n0.280722 0.280723 0.157834 S\n",
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"elements": [
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"Rh",
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],
"chemical_system": "Rh-S-Tl",
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"density_atomic": 0.05203415300492592,
"volume": 134.52702880235853,
"volume_molar": 11.573438621033961,
"formula_full": "Tl2 Rh3 S2",
"formula_reduced": "Tl2Rh3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.7767606000000007,
"spacegroup": 166
},
{
"id": "jvasp-29338",
"created_at": "2022-09-04T14:37:03.585771Z",
"updated_at": "2022-09-04T14:37:03.585791Z",
"structure_string": "Tl2 Pt4 Se6\n1.0\n7.533876 -0.000000 -0.000000\n-3.766938 6.524528 0.000000\n0.000000 0.000000 5.853702\nTl Pt Se\n2 4 6\ndirect\n0.333333 0.666667 0.349153 Tl\n0.666667 0.333333 0.650847 Tl\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.169259 0.830741 0.783033 Se\n0.169259 0.338518 0.783033 Se\n0.661482 0.830741 0.783033 Se\n0.338518 0.169259 0.216967 Se\n0.830741 0.661482 0.216967 Se\n0.830741 0.169259 0.216967 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Pt",
"Se"
],
"chemical_system": "Pt-Se-Tl",
"density": 9.59637667102841,
"density_atomic": 0.04170451445757543,
"volume": 287.7386334807276,
"volume_molar": 14.440021274258253,
"formula_full": "Tl2 Pt4 Se6",
"formula_reduced": "TlPt2Se3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5521209166666667,
"spacegroup": 164
},
{
"id": "jvasp-4630",
"created_at": "2022-09-04T14:36:53.303017Z",
"updated_at": "2022-09-04T14:36:53.303026Z",
"structure_string": "Tl2 Pt4 S6\n1.0\n3.596844 -6.229916 0.000000\n3.596844 6.229916 0.000000\n-0.000000 0.000000 5.932069\nTl Pt S\n2 4 6\ndirect\n0.666667 0.333332 0.623707 Tl\n0.333332 0.666667 0.376294 Tl\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 -0.000000 Pt\n-0.000000 0.500000 -0.000000 Pt\n0.500000 -0.000000 0.000000 Pt\n0.830417 0.660836 0.199038 S\n0.339163 0.169582 0.199038 S\n0.830418 0.169581 0.199038 S\n0.169581 0.830418 0.800962 S\n0.169582 0.339163 0.800962 S\n0.660836 0.830417 0.800962 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Pt",
"S"
],
"chemical_system": "Pt-S-Tl",
"density": 8.628944536746106,
"density_atomic": 0.04513789096964481,
"volume": 265.85203123623984,
"volume_molar": 13.34165294530461,
"formula_full": "Tl2 Pt4 S6",
"formula_reduced": "TlPt2S3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.8224909,
"spacegroup": 164
},
{
"id": "jvasp-49170",
"created_at": "2022-09-04T14:37:11.038118Z",
"updated_at": "2022-09-04T14:37:11.038139Z",
"structure_string": "Tl4 Pt4 O14\n1.0\n6.305801 -0.000000 3.640656\n2.101934 5.945166 3.640656\n0.000000 -0.000000 7.281312\nTl Pt O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.000000 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.499999 0.500000 0.500001 Pt\n0.499999 0.500000 0.000001 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.833798 0.416201 0.416202 O\n0.416201 0.416201 0.833799 O\n0.833798 0.833800 0.416202 O\n0.166200 0.583799 0.583799 O\n0.874999 0.875001 0.875001 O\n0.833798 0.416201 0.833800 O\n0.416200 0.833800 0.416202 O\n0.166200 0.583799 0.166201 O\n0.166201 0.166201 0.583799 O\n0.583798 0.583799 0.166202 O\n0.583799 0.166201 0.583799 O\n0.416200 0.833800 0.833800 O\n0.125000 0.125000 0.125000 O\n0.583799 0.166201 0.166201 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "O-Pt-Tl",
"density": 11.082823112394856,
"density_atomic": 0.08059512878974795,
"volume": 272.9693510062173,
"volume_molar": 7.472090249660402,
"formula_full": "Tl4 Pt4 O14",
"formula_reduced": "Tl2Pt2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.2145884090909087,
"spacegroup": 227
},
{
"id": "jvasp-3885",
"created_at": "2022-09-04T14:36:05.213209Z",
"updated_at": "2022-09-04T14:36:05.213250Z",
"structure_string": "Tl2 Pt1 Cl6\n1.0\n5.994508 0.000000 3.460930\n1.998169 5.651676 3.460930\n0.000000 0.000000 6.921862\nTl Pt Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750001 0.749999 Tl\n0.000000 0.000000 0.000000 Pt\n0.760204 0.239797 0.239796 Cl\n0.760204 0.760204 0.239796 Cl\n0.239797 0.239797 0.760203 Cl\n0.760204 0.239797 0.760203 Cl\n0.239796 0.760204 0.239796 Cl\n0.239796 0.760204 0.760203 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt-Tl",
"density": 5.782132451882513,
"density_atomic": 0.0383785685332627,
"volume": 234.50588033786883,
"volume_molar": 15.691415782692918,
"formula_full": "Tl2 Pt1 Cl6",
"formula_reduced": "Tl2PtCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1621623338888888,
"spacegroup": 225
},
{
"id": "jvasp-25438",
"created_at": "2022-09-04T14:37:32.640172Z",
"updated_at": "2022-09-04T14:37:32.640209Z",
"structure_string": "Tl4 Pd2 Se4\n1.0\n3.732866 0.000000 0.000000\n0.000000 6.186635 0.000000\n0.000000 0.000000 11.380763\nTl Pd Se\n4 2 4\ndirect\n0.000000 0.611960 0.153104 Tl\n0.000000 0.388039 0.846896 Tl\n0.000000 0.111960 0.346896 Tl\n0.000000 0.888039 0.653104 Tl\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500001 0.681178 0.388614 Se\n0.500001 0.318822 0.611386 Se\n0.500001 0.181178 0.111386 Se\n0.500001 0.818821 0.888614 Se\n",
"nsites": 10,
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"elements": [
"Tl",
"Pd",
"Se"
],
"chemical_system": "Pd-Se-Tl",
"density": 8.50539853965521,
"density_atomic": 0.03804799064769451,
"volume": 262.825968724473,
"volume_molar": 15.827749790421342,
"formula_full": "Tl4 Pd2 Se4",
"formula_reduced": "Tl2PdSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5979655266666669,
"spacegroup": 55
},
{
"id": "jvasp-4519",
"created_at": "2022-09-04T14:36:36.319053Z",
"updated_at": "2022-09-04T14:36:36.319075Z",
"structure_string": "Tl2 Pd4 Se6\n1.0\n3.743343 -6.483659 0.000000\n3.743343 6.483659 0.000000\n0.000000 0.000000 5.783702\nTl Pd Se\n2 4 6\ndirect\n0.666667 0.333333 0.355039 Tl\n0.333333 0.666667 0.644960 Tl\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.830928 0.169071 0.776723 Se\n0.338143 0.169071 0.776723 Se\n0.830928 0.661856 0.776723 Se\n0.169071 0.338143 0.223276 Se\n0.169071 0.830928 0.223276 Se\n0.661856 0.830928 0.223276 Se\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Pd-Se-Tl",
"density": 7.737661750848597,
"density_atomic": 0.04274305440713844,
"volume": 280.74736741312296,
"volume_molar": 14.089168038010529,
"formula_full": "Tl2 Pd4 Se6",
"formula_reduced": "TlPd2Se3",
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"energy_above_hull": 1.20454735,
"spacegroup": 164
},
{
"id": "jvasp-35433",
"created_at": "2022-09-04T14:37:40.604391Z",
"updated_at": "2022-09-04T14:37:40.604400Z",
"structure_string": "Tl1 Pd5 Se1\n1.0\n4.090218 0.000000 -0.000000\n0.000000 4.090218 -0.000000\n-0.000000 -0.000000 7.245192\nTl Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 Tl\n0.000000 0.500000 0.283830 Pd\n0.000000 0.500000 0.716170 Pd\n0.500000 0.000000 0.283830 Pd\n0.500000 0.000000 0.716170 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Se\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.05775043101545929,
"volume": 121.21121655570259,
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"formula_full": "Tl1 Pd5 Se1",
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"formula_anonymous": "ABC5",
"energy_above_hull": 1.451527780952381,
"spacegroup": 123
},
{
"id": "jvasp-94860",
"created_at": "2022-09-04T14:36:32.217566Z",
"updated_at": "2022-09-04T14:36:32.217594Z",
"structure_string": "Tl2 Pd3 S2\n1.0\n5.109617 -0.005178 2.880149\n1.680327 4.825424 2.880149\n-0.007294 -0.005178 5.865441\nTl Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Tl\n0.000000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.719671 0.719669 0.719670 S\n0.280331 0.280330 0.280330 S\n",
"nsites": 7,
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"formula_full": "Tl2 Pd3 S2",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 166
},
{
"id": "jvasp-112341",
"created_at": "2022-09-04T14:38:26.395893Z",
"updated_at": "2022-09-04T14:38:26.395909Z",
"structure_string": "Tl2 Pd9 Pb1\n1.0\n4.083919 -0.008759 -11.541788\n-0.128656 4.081902 -11.541788\n0.008505 0.008759 12.243006\nTl Pd Pb\n2 9 1\ndirect\n0.166174 0.166174 -0.000000 Tl\n0.000995 0.000995 -0.000000 Tl\n0.916121 0.416120 0.500000 Pd\n0.416120 0.916120 0.499999 Pd\n0.084347 0.584347 0.500000 Pd\n0.584348 0.084347 0.500001 Pd\n0.500168 0.500168 -0.000001 Pd\n0.749472 0.249472 0.500000 Pd\n0.249472 0.749472 0.500000 Pd\n0.331064 0.331064 -0.000001 Pd\n0.667753 0.667753 -0.000001 Pd\n0.833966 0.833966 -0.000002 Pb\n",
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"volume": 204.9064566212009,
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"formula_full": "Tl2 Pd9 Pb1",
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"formula_anonymous": "AB2C9",
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"spacegroup": 107
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{
"id": "jvasp-107511",
"created_at": "2022-09-04T14:36:54.915880Z",
"updated_at": "2022-09-04T14:36:54.915889Z",
"structure_string": "Tl2 Pd2 Pb2\n1.0\n5.596201 -0.060652 4.062040\n3.300404 4.486831 1.596912\n0.026260 -0.052014 5.658952\nTl Pd Pb\n2 2 2\ndirect\n0.333771 0.666228 0.333772 Tl\n0.666227 0.333773 0.666228 Tl\n0.749999 0.750001 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n0.162109 0.162110 0.837891 Pb\n0.837890 0.837891 0.162109 Pb\n",
"nsites": 6,
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"elements": [
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"formula_full": "Tl2 Pd2 Pb2",
"formula_reduced": "TlPdPb",
"formula_anonymous": "ABC",
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"spacegroup": 69
}
]
}