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=id&page=4055",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4053",
"results": [
{
"id": "jvasp-85382",
"created_at": "2022-09-04T14:35:58.490524Z",
"updated_at": "2022-09-04T14:35:58.490549Z",
"structure_string": "Li4 C1 O4\n1.0\n4.311681 -0.710439 -1.440538\n-1.702752 4.227296 -0.293785\n-0.739699 0.369447 4.491332\nLi C O\n4 1 4\ndirect\n0.163649 0.156281 0.156281 Li\n0.906560 0.588249 0.148014 Li\n0.725844 0.585916 0.585914 Li\n0.906559 0.148016 0.588248 Li\n0.402606 0.868072 0.868069 C\n0.669958 0.832761 0.832758 O\n0.579804 0.136558 0.136557 O\n0.161825 0.928309 0.557763 O\n0.161825 0.557765 0.928306 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.35585444252788,
"density_atomic": 0.12304399498796252,
"volume": 73.14456915089986,
"volume_molar": 4.894298791736363,
"formula_full": "Li4 C1 O4",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.2184071111111114,
"spacegroup": 8
},
{
"id": "jvasp-85385",
"created_at": "2022-09-04T14:36:02.316827Z",
"updated_at": "2022-09-04T14:36:02.316845Z",
"structure_string": "Ce3 In3 Ru2\n1.0\n4.650901 -0.000000 -1.360731\n-0.177700 4.906420 -0.607370\n-0.041389 0.018605 8.487161\nCe In Ru\n3 3 2\ndirect\n0.828059 0.421968 0.656117 Ce\n0.171941 0.578031 0.343883 Ce\n0.000000 0.000000 0.000000 Ce\n0.369431 0.950860 0.738862 In\n0.500000 0.500000 0.000000 In\n0.630568 0.049139 0.261138 In\n0.789690 0.869988 0.579380 Ru\n0.210310 0.130011 0.420620 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"In",
"Ru"
],
"chemical_system": "Ce-In-Ru",
"density": 8.299983813537354,
"density_atomic": 0.041354017798889135,
"volume": 193.45157800398533,
"volume_molar": 14.562407912301493,
"formula_full": "Ce3 In3 Ru2",
"formula_reduced": "Ce3In3Ru2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 1.99020592625,
"spacegroup": 12
},
{
"id": "jvasp-85386",
"created_at": "2022-09-04T14:36:06.982855Z",
"updated_at": "2022-09-04T14:36:06.982878Z",
"structure_string": "Ce4 Zn8 Ru2\n1.0\n5.178041 -0.000000 0.000000\n-0.000000 7.171653 0.000000\n-0.000000 -0.000000 7.171653\nCe Zn Ru\n4 8 2\ndirect\n0.780036 0.250000 0.250000 Ce\n0.000000 0.750000 0.250000 Ce\n0.219964 0.750000 0.750000 Ce\n0.000000 0.250000 0.750000 Ce\n0.289785 0.434578 0.434578 Zn\n0.289785 0.434578 0.065421 Zn\n0.289785 0.065421 0.065421 Zn\n0.710215 0.934578 0.565421 Zn\n0.289785 0.065421 0.434578 Zn\n0.710215 0.934578 0.934578 Zn\n0.710215 0.565421 0.934578 Zn\n0.710215 0.565421 0.565421 Zn\n0.500000 0.250000 0.750000 Ru\n0.500000 0.750000 0.250000 Ru\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ru"
],
"chemical_system": "Ce-Ru-Zn",
"density": 8.017595968078673,
"density_atomic": 0.05256830992301696,
"volume": 266.3201465008507,
"volume_molar": 11.45583863894246,
"formula_full": "Ce4 Zn8 Ru2",
"formula_reduced": "Ce2Zn4Ru",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3634475857142861,
"spacegroup": 129
},
{
"id": "jvasp-85389",
"created_at": "2022-09-04T14:36:12.485486Z",
"updated_at": "2022-09-04T14:36:12.485499Z",
"structure_string": "Cd1 Pd1 C6 N6\n1.0\n6.746639 0.000015 3.895170\n2.248887 6.360804 3.895182\n-0.000006 0.000010 7.790352\nCd Pd C N\n1 1 6 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499998 0.499999 0.499999 Pd\n0.317459 0.682542 0.317457 C\n0.317457 0.682542 0.682543 C\n0.682544 0.317456 0.317457 C\n0.317457 0.317458 0.682543 C\n0.682544 0.682542 0.317457 C\n0.682545 0.317456 0.682544 C\n0.787822 0.787819 0.212178 N\n0.787820 0.212180 0.787820 N\n0.212179 0.787821 0.787821 N\n0.787820 0.212180 0.212181 N\n0.212179 0.787819 0.212179 N\n0.212179 0.212178 0.787821 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cd",
"Pd",
"C",
"N"
],
"chemical_system": "C-Cd-N-Pd",
"density": 1.8622987543384895,
"density_atomic": 0.041876641510896546,
"volume": 334.3152529640448,
"volume_molar": 14.380667939746322,
"formula_full": "Cd1 Pd1 C6 N6",
"formula_reduced": "CdPd(CN)6",
"formula_anonymous": "ABC6D6",
"energy_above_hull": 5.940072496428571,
"spacegroup": 225
},
{
"id": "jvasp-8539",
"created_at": "2022-09-04T14:37:05.148707Z",
"updated_at": "2022-09-04T14:37:05.148726Z",
"structure_string": "Tl1 In1 S2\n1.0\n3.754696 -0.016220 6.808763\n1.740353 3.327036 6.808763\n-0.026921 -0.016220 7.775362\nTl In S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.499999 In\n0.768380 0.768381 0.768378 S\n0.231620 0.231620 0.231620 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 6.483056017213429,
"density_atomic": 0.04073956486633498,
"volume": 98.18465202374776,
"volume_molar": 14.782044873965695,
"formula_full": "Tl1 In1 S2",
"formula_reduced": "TlInS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5126331424999999,
"spacegroup": 166
},
{
"id": "jvasp-85394",
"created_at": "2022-09-04T14:36:18.591720Z",
"updated_at": "2022-09-04T14:36:18.591744Z",
"structure_string": "C12\n1.0\n2.464874 -0.000220 0.000000\n-1.232260 2.134745 -0.000000\n0.000000 0.000000 20.444875\nC\n12\ndirect\n0.166466 0.833537 0.951958 C\n0.166868 0.833134 0.451983 C\n0.166848 0.833155 0.779342 C\n0.166488 0.833515 0.279367 C\n0.499705 0.500296 0.615676 C\n0.833152 0.166847 0.279342 C\n0.500294 0.499707 0.115676 C\n0.166373 0.833630 0.615676 C\n0.833512 0.166487 0.779367 C\n0.833626 0.166373 0.115676 C\n0.833533 0.166465 0.451958 C\n0.833131 0.166868 0.951983 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2248249710561785,
"density_atomic": 0.1115522754435076,
"volume": 107.57288412352513,
"volume_molar": 5.39849208459198,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.00441,
"spacegroup": 194
},
{
"id": "jvasp-85398",
"created_at": "2022-09-04T14:35:42.800158Z",
"updated_at": "2022-09-04T14:35:42.800186Z",
"structure_string": "Tl2 Fe2 O4\n1.0\n5.182571 0.064814 3.499246\n1.893314 4.824792 3.499246\n0.093794 0.064814 6.252597\nTl Fe O\n2 2 4\ndirect\n0.802439 0.802438 0.802443 Tl\n0.197560 0.197560 0.197561 Tl\n0.383912 0.383912 0.383914 Fe\n0.616087 0.616086 0.616089 Fe\n0.500000 -0.000001 0.500001 O\n-0.000001 0.499999 0.500001 O\n0.499999 0.499999 0.500002 O\n0.500000 0.499999 0.000001 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"O"
],
"chemical_system": "Fe-O-Tl",
"density": 6.332040212437428,
"density_atomic": 0.05219562110489582,
"volume": 153.26956228612863,
"volume_molar": 11.537635978883177,
"formula_full": "Tl2 Fe2 O4",
"formula_reduced": "TlFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.666361275,
"spacegroup": 166
},
{
"id": "jvasp-8540",
"created_at": "2022-09-04T14:37:00.990293Z",
"updated_at": "2022-09-04T14:37:00.990324Z",
"structure_string": "In1 As1 F6\n1.0\n4.961778 -0.027800 -0.557582\n-0.620658 4.922884 -0.557582\n-0.024654 -0.027800 4.992947\nIn As F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500001 As\n0.695494 0.421048 0.794758 F\n0.421049 0.794757 0.695494 F\n0.205243 0.304506 0.578952 F\n0.578952 0.205243 0.304507 F\n0.304506 0.578951 0.205243 F\n0.794758 0.695493 0.421049 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"As",
"F"
],
"chemical_system": "As-F-In",
"density": 4.143630644936822,
"density_atomic": 0.06572554685403326,
"volume": 121.71827216237273,
"volume_molar": 9.162557100322475,
"formula_full": "In1 As1 F6",
"formula_reduced": "InAsF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-85400",
"created_at": "2022-09-04T14:35:48.402964Z",
"updated_at": "2022-09-04T14:35:48.402981Z",
"structure_string": "U4 Fe4 Ge4\n1.0\n4.405379 0.000000 0.000000\n0.000000 7.001208 -0.447457\n0.000000 -0.011929 6.776937\nU Fe Ge\n4 4 4\ndirect\n0.250000 0.511335 0.806490 U\n0.750000 0.964544 0.282509 U\n0.250000 0.035456 0.717491 U\n0.750000 0.488665 0.193510 U\n0.750000 0.257539 0.967902 Fe\n0.750000 0.633902 0.525320 Fe\n0.250000 0.742461 0.032098 Fe\n0.250000 0.366099 0.474680 Fe\n0.750000 0.283470 0.594991 Ge\n0.250000 0.716530 0.405009 Ge\n0.750000 0.807350 0.871317 Ge\n0.250000 0.192651 0.128683 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-U",
"density": 11.648196946198542,
"density_atomic": 0.05741698723067654,
"volume": 208.99738176420172,
"volume_molar": 10.488430428795667,
"formula_full": "U4 Fe4 Ge4",
"formula_reduced": "UFeGe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.893595816666666,
"spacegroup": 11
},
{
"id": "jvasp-85405",
"created_at": "2022-09-04T14:35:59.692269Z",
"updated_at": "2022-09-04T14:35:59.692291Z",
"structure_string": "Eu6 As8\n1.0\n5.205034 -0.000408 1.738895\n2.602903 7.498620 0.870350\n0.005105 -0.000746 8.661578\nEu As\n6 8\ndirect\n0.455452 0.496673 0.166813 Eu\n0.117810 0.505564 0.832173 Eu\n0.372409 0.996427 0.332166 Eu\n0.701145 0.005333 0.666824 Eu\n0.000728 0.000975 -0.000478 Eu\n0.750695 0.501012 0.499511 Eu\n0.587963 0.781253 0.958026 As\n0.743359 0.309802 0.818126 As\n0.118273 0.720713 0.458062 As\n0.871575 0.692246 0.181265 As\n0.802152 0.192194 0.318121 As\n0.295068 0.279985 0.542187 As\n0.324120 0.221975 0.042162 As\n0.312813 0.809741 0.681259 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Eu",
"As"
],
"chemical_system": "As-Eu",
"density": 7.423870560047251,
"density_atomic": 0.04141901814352051,
"volume": 338.0089781821669,
"volume_molar": 14.53955460540556,
"formula_full": "Eu6 As8",
"formula_reduced": "Eu3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.086932428571428,
"spacegroup": 43
},
{
"id": "jvasp-85406",
"created_at": "2022-09-04T14:36:03.311154Z",
"updated_at": "2022-09-04T14:36:03.311191Z",
"structure_string": "Zr1 Fe1 F6\n1.0\n4.747499 0.097694 3.129996\n1.735560 4.419968 3.129997\n0.140195 0.097693 5.684713\nZr Fe F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Zr\n0.000000 0.000000 0.000000 Fe\n0.378107 0.749722 0.125704 F\n0.874297 0.621892 0.250279 F\n0.749722 0.125703 0.378108 F\n0.250278 0.874296 0.621893 F\n0.621892 0.250277 0.874297 F\n0.125703 0.378107 0.749722 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zr",
"density": 3.753067843108697,
"density_atomic": 0.06926086914650048,
"volume": 115.50533654260695,
"volume_molar": 8.694867439884385,
"formula_full": "Zr1 Fe1 F6",
"formula_reduced": "ZrFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6021689618749999,
"spacegroup": 148
},
{
"id": "jvasp-85410",
"created_at": "2022-09-04T14:36:13.300392Z",
"updated_at": "2022-09-04T14:36:13.300410Z",
"structure_string": "Cr2 W2 O8\n1.0\n4.718705 -0.019311 0.101796\n0.049786 4.873910 2.498022\n-0.033833 0.135251 5.475231\nCr W O\n2 2 8\ndirect\n0.502407 0.256701 0.256701 Cr\n0.497595 0.743299 0.743299 Cr\n0.000001 0.769953 0.230046 W\n0.000001 0.230046 0.769953 W\n0.203938 0.600847 0.600847 O\n0.796065 0.399153 0.399153 O\n0.776899 0.883556 0.883556 O\n0.223104 0.116444 0.116444 O\n0.701854 0.391665 0.902886 O\n0.298149 0.097114 0.608335 O\n0.298149 0.608335 0.097114 O\n0.701854 0.902886 0.391665 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"W",
"O"
],
"chemical_system": "Cr-O-W",
"density": 8.007652365984143,
"density_atomic": 0.09649991256173364,
"volume": 124.35244428147301,
"volume_molar": 6.240566027609063,
"formula_full": "Cr2 W2 O8",
"formula_reduced": "CrWO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.7800719000000007,
"spacegroup": 12
}
]
}