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=1537",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1535",
"results": [
{
"id": "jvasp-114254",
"created_at": "2022-09-04T14:38:40.271125Z",
"updated_at": "2022-09-04T14:38:40.271144Z",
"structure_string": "Cu1 N1 O2\n1.0\n3.106878 -2.394586 0.727895\n3.106878 2.394586 0.727895\n0.605001 0.000000 3.031093\nCu N O\n1 1 2\ndirect\n0.013534 -0.013533 0.500000 Cu\n0.601642 0.398360 -0.000002 N\n0.263474 0.378589 0.196670 O\n0.621413 0.736528 0.803326 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"N",
"O"
],
"chemical_system": "Cu-N-O",
"density": 4.2313854616357265,
"density_atomic": 0.09304116828557878,
"volume": 42.99172155408106,
"volume_molar": 6.472554967835053,
"formula_full": "Cu1 N1 O2",
"formula_reduced": "CuNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3449201749999995,
"spacegroup": 5
},
{
"id": "jvasp-66910",
"created_at": "2022-09-04T14:36:01.266650Z",
"updated_at": "2022-09-04T14:36:01.266671Z",
"structure_string": "Ti1 Be2 Sb1\n1.0\n3.174976 -0.000000 0.000000\n0.000000 3.174976 0.000000\n-0.000000 -0.000000 5.922252\nTi Be Sb\n1 2 1\ndirect\n0.500001 0.500001 0.781058 Ti\n0.000000 0.000000 0.050740 Be\n0.500001 0.500001 0.190698 Be\n0.000000 0.000000 0.477504 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Sb"
],
"chemical_system": "Be-Sb-Ti",
"density": 5.2195498079446425,
"density_atomic": 0.06700268623282936,
"volume": 59.699099019706416,
"volume_molar": 8.987909438546252,
"formula_full": "Ti1 Be2 Sb1",
"formula_reduced": "TiBe2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3447416583333336,
"spacegroup": 99
},
{
"id": "jvasp-114883",
"created_at": "2022-09-04T14:38:43.504752Z",
"updated_at": "2022-09-04T14:38:43.504772Z",
"structure_string": "Li1 Al1 B1\n1.0\n2.635799 0.000000 0.000000\n-0.000000 2.635799 -0.000000\n0.000000 0.000000 6.803953\nLi Al B\n1 1 1\ndirect\n0.000000 0.000000 0.643011 Li\n0.000000 0.000000 0.021717 Al\n0.000000 0.000000 0.331725 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Al",
"B"
],
"chemical_system": "Al-B-Li",
"density": 1.5714351696772395,
"density_atomic": 0.0634651589374678,
"volume": 47.27003052109109,
"volume_molar": 9.488892584250221,
"formula_full": "Li1 Al1 B1",
"formula_reduced": "LiAlB",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3446951277777783,
"spacegroup": 99
},
{
"id": "jvasp-92664",
"created_at": "2022-09-04T14:35:44.122521Z",
"updated_at": "2022-09-04T14:35:44.122540Z",
"structure_string": "Ca1 Si3 Pt1\n1.0\n4.282776 -0.000000 -0.000000\n-0.000000 4.282776 -0.000000\n-2.141388 -2.141388 4.933230\nCa Si Pt\n1 3 1\ndirect\n0.002457 0.002457 0.004914 Ca\n0.401980 0.401980 0.803961 Si\n0.761298 0.261298 0.522595 Si\n0.261298 0.761298 0.522595 Si\n0.644368 0.644368 0.288734 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Pt"
],
"chemical_system": "Ca-Pt-Si",
"density": 5.861747122272659,
"density_atomic": 0.05525707853810894,
"volume": 90.48614462220743,
"volume_molar": 10.898405994893004,
"formula_full": "Ca1 Si3 Pt1",
"formula_reduced": "CaSi3Pt",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.344639524,
"spacegroup": 107
},
{
"id": "jvasp-99351",
"created_at": "2022-09-04T14:36:37.529918Z",
"updated_at": "2022-09-04T14:36:37.529949Z",
"structure_string": "Yb4 Mg4 Fe3 H22\n1.0\n6.576510 -0.000000 0.000000\n0.000000 6.576510 0.000000\n-0.000000 -0.000000 6.576510\nYb Mg Fe H\n4 4 3 22\ndirect\n0.290453 0.290453 0.709547 Yb\n0.290453 0.709547 0.290453 Yb\n0.709547 0.290453 0.290453 Yb\n0.709547 0.709547 0.709547 Yb\n0.786611 0.786611 0.213389 Mg\n0.786611 0.213389 0.786611 Mg\n0.213389 0.786611 0.786611 Mg\n0.213389 0.213389 0.213389 Mg\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.240853 0.500000 0.000000 H\n0.626311 0.373689 0.626311 H\n0.626311 0.626311 0.373689 H\n0.260360 0.000000 0.000000 H\n0.000000 0.260360 0.000000 H\n0.000000 0.000000 0.739640 H\n0.739640 0.000000 0.000000 H\n0.000000 0.739640 0.000000 H\n0.000000 0.000000 0.260360 H\n0.240853 0.000000 0.500000 H\n0.759147 0.500000 0.000000 H\n0.000000 0.240853 0.500000 H\n0.500000 0.240853 0.000000 H\n0.000000 0.500000 0.759147 H\n0.373689 0.626311 0.626311 H\n0.500000 0.000000 0.240853 H\n0.000000 0.759147 0.500000 H\n0.759147 0.000000 0.500000 H\n0.500000 0.759147 0.000000 H\n0.000000 0.500000 0.240853 H\n0.500000 0.000000 0.759147 H\n0.373689 0.373689 0.373689 H\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Yb",
"Mg",
"Fe",
"H"
],
"chemical_system": "Fe-H-Mg-Yb",
"density": 5.715906498659808,
"density_atomic": 0.11601856390603356,
"volume": 284.4372390846654,
"volume_molar": 5.190669973192814,
"formula_full": "Yb4 Mg4 Fe3 H22",
"formula_reduced": "Yb4Mg4Fe3H22",
"formula_anonymous": "A3B4C4D22",
"energy_above_hull": 2.3444153181818184,
"spacegroup": 215
},
{
"id": "jvasp-10052",
"created_at": "2022-09-04T14:38:10.325723Z",
"updated_at": "2022-09-04T14:38:10.325746Z",
"structure_string": "Ca2 Co4 O8\n1.0\n6.049881 -0.018734 -0.027106\n3.008717 5.248717 -0.027106\n2.997399 1.730550 4.894734\nCa Co O\n2 4 8\ndirect\n0.125000 0.625001 0.624999 Ca\n0.625000 0.125001 0.624999 Ca\n0.989345 0.989347 0.010654 Co\n0.260655 0.260656 0.239344 Co\n0.625000 0.625001 0.124999 Co\n0.625000 0.625001 0.624998 Co\n0.401490 0.401491 0.331639 O\n0.416398 0.860136 0.361733 O\n0.401490 0.401491 0.865381 O\n0.860135 0.416399 0.361733 O\n0.389866 0.833604 0.888264 O\n0.833603 0.389867 0.888264 O\n0.848510 0.848512 0.384616 O\n0.848511 0.848512 0.918358 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.716616639262921,
"density_atomic": 0.08958597931689591,
"volume": 156.2744539575469,
"volume_molar": 6.722191135174905,
"formula_full": "Ca2 Co4 O8",
"formula_reduced": "Ca(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.344365174285714,
"spacegroup": 74
},
{
"id": "jvasp-97709",
"created_at": "2022-09-04T14:35:54.874600Z",
"updated_at": "2022-09-04T14:35:54.874619Z",
"structure_string": "Th4 Te8 O24\n1.0\n7.230619 0.044980 0.000000\n-2.274013 6.988747 0.000000\n0.000000 0.000000 11.325364\nTh Te O\n4 8 24\ndirect\n0.740636 0.992171 0.908227 Th\n0.759365 0.507829 0.408227 Th\n0.259365 0.007829 0.091773 Th\n0.240635 0.492171 0.591772 Th\n0.264754 0.527902 0.925081 Te\n0.764754 0.027902 0.574919 Te\n0.735247 0.472098 0.074919 Te\n0.235247 0.972098 0.425081 Te\n0.245446 0.451936 0.273741 Te\n0.745446 0.951936 0.226259 Te\n0.754555 0.548065 0.726258 Te\n0.254554 0.048065 0.773741 Te\n0.821884 0.307737 0.970829 O\n0.686165 0.117689 0.718939 O\n0.813835 0.382312 0.218939 O\n0.963378 0.832077 0.408332 O\n0.536623 0.667923 0.908332 O\n0.036622 0.167923 0.591668 O\n0.463378 0.332077 0.091668 O\n0.321884 0.807737 0.529170 O\n0.178116 0.692263 0.029171 O\n0.678116 0.192263 0.470829 O\n0.426845 0.030447 0.899393 O\n0.910194 0.919686 0.098829 O\n0.573156 0.969554 0.100607 O\n0.926845 0.530447 0.600607 O\n0.089806 0.080314 0.901170 O\n0.410194 0.419686 0.401170 O\n0.186165 0.617689 0.781060 O\n0.589807 0.580315 0.598829 O\n0.356785 0.315413 0.745703 O\n0.143215 0.184588 0.245704 O\n0.643215 0.684588 0.254296 O\n0.856786 0.815413 0.754296 O\n0.073156 0.469553 0.399393 O\n0.313835 0.882312 0.281061 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Th",
"Te",
"O"
],
"chemical_system": "O-Te-Th",
"density": 6.755338571252778,
"density_atomic": 0.06277653723416855,
"volume": 573.4626595556407,
"volume_molar": 9.592980156800078,
"formula_full": "Th4 Te8 O24",
"formula_reduced": "Th(TeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.34432357037037,
"spacegroup": 14
},
{
"id": "jvasp-92475",
"created_at": "2022-09-04T14:36:19.417474Z",
"updated_at": "2022-09-04T14:36:19.417495Z",
"structure_string": "Cr2 S4\n1.0\n3.095999 0.053154 0.060619\n1.501064 2.708290 0.060619\n-1.731104 -2.846474 11.835292\nCr S\n2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500001 0.500000 Cr\n0.333245 0.455780 0.122535 S\n0.333228 0.955768 0.622539 S\n0.666772 0.044232 0.377461 S\n0.666755 0.544220 0.877465 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 3.9016311364380867,
"density_atomic": 0.06069997676323074,
"volume": 98.8468253192895,
"volume_molar": 9.921158262531556,
"formula_full": "Cr2 S4",
"formula_reduced": "CrS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.344252466666667,
"spacegroup": 164
},
{
"id": "jvasp-117433",
"created_at": "2022-09-04T14:38:49.880863Z",
"updated_at": "2022-09-04T14:38:49.880885Z",
"structure_string": "Li3 Fe2 Ni1 O6\n1.0\n6.295700 -0.011370 1.453403\n5.664729 2.747146 1.453403\n-0.017642 -0.004035 5.728151\nLi Fe Ni O\n3 2 1 6\ndirect\n0.500000 0.500000 0.499999 Li\n0.165086 0.165086 0.157890 Li\n0.834915 0.834914 0.842109 Li\n0.169824 0.169822 0.661794 Fe\n0.830177 0.830178 0.338205 Fe\n0.499999 0.500001 -0.000000 Ni\n0.669956 0.669955 0.889378 O\n0.328252 0.328251 0.571363 O\n0.330044 0.330045 0.110621 O\n0.986372 0.986374 0.244638 O\n0.013629 0.013626 0.755361 O\n0.671748 0.671748 0.428636 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.792457436362719,
"density_atomic": 0.12058734780326123,
"volume": 99.51292750528066,
"volume_molar": 4.994007140637298,
"formula_full": "Li3 Fe2 Ni1 O6",
"formula_reduced": "Li3Fe2NiO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.344200366666666,
"spacegroup": 12
},
{
"id": "jvasp-14738",
"created_at": "2022-09-04T14:36:58.619248Z",
"updated_at": "2022-09-04T14:36:58.619270Z",
"structure_string": "Sc1 Pt3\n1.0\n4.005426 0.000000 -0.000000\n0.000000 4.005426 -0.000000\n0.000000 0.000000 4.005426\nSc Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.000000 Pt\n0.500001 0.000000 0.500001 Pt\n0.000000 0.500001 0.500001 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Pt"
],
"chemical_system": "Pt-Sc",
"density": 16.284964305170607,
"density_atomic": 0.06224634472770885,
"volume": 64.26080145746144,
"volume_molar": 9.674689793181148,
"formula_full": "Sc1 Pt3",
"formula_reduced": "ScPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3441873625000005,
"spacegroup": 221
},
{
"id": "jvasp-14198",
"created_at": "2022-09-04T14:36:32.053009Z",
"updated_at": "2022-09-04T14:36:32.053025Z",
"structure_string": "U4 Pd4 Se12\n1.0\n6.399716 0.000000 0.000000\n0.000000 7.825070 0.000000\n0.000000 0.000000 8.841932\nU Pd Se\n4 4 12\ndirect\n0.934763 0.362128 0.250000 U\n0.434763 0.137872 0.750000 U\n0.565238 0.862128 0.250000 U\n0.065237 0.637872 0.750000 U\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.661923 0.158971 0.441749 Se\n0.161923 0.341029 0.558251 Se\n0.821373 0.936938 0.750000 Se\n0.321373 0.563062 0.250000 Se\n0.678628 0.436938 0.750000 Se\n0.161923 0.341029 0.941748 Se\n0.338078 0.841029 0.558251 Se\n0.661923 0.158971 0.058251 Se\n0.838078 0.658971 0.058251 Se\n0.338078 0.841029 0.941748 Se\n0.178627 0.063062 0.250000 Se\n0.838078 0.658971 0.441749 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Pd",
"Se"
],
"chemical_system": "Pd-Se-U",
"density": 8.72036988698759,
"density_atomic": 0.04516831526308638,
"volume": 442.78826614427476,
"volume_molar": 13.332666327985825,
"formula_full": "U4 Pd4 Se12",
"formula_reduced": "UPdSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3440743600000005,
"spacegroup": 62
},
{
"id": "jvasp-74327",
"created_at": "2022-09-04T14:36:02.391819Z",
"updated_at": "2022-09-04T14:36:02.391845Z",
"structure_string": "Be2 Cr1 Ni1\n1.0\n2.496718 0.000000 0.000000\n0.000000 2.496718 0.000000\n-0.000000 0.000000 6.021009\nBe Cr Ni\n2 1 1\ndirect\n0.000000 0.000000 0.990248 Be\n0.500000 0.500000 0.780841 Be\n0.000000 0.000000 0.514576 Cr\n0.500000 0.500000 0.214335 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Ni"
],
"chemical_system": "Be-Cr-Ni",
"density": 5.6946385601429945,
"density_atomic": 0.10657411387589479,
"volume": 37.532566347752955,
"volume_molar": 5.650659940755185,
"formula_full": "Be2 Cr1 Ni1",
"formula_reduced": "Be2CrNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3438455,
"spacegroup": 99
}
]
}