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=-updated_at&page=329",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=327",
"results": [
{
"id": "jvasp-115402",
"created_at": "2022-09-04T14:38:45.727915Z",
"updated_at": "2022-09-04T14:38:45.727924Z",
"structure_string": "As1 Pt1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nAs Pt\n1 1\ndirect\n0.000000 0.000000 0.142300 As\n0.000000 0.000000 0.857699 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"As",
"Pt"
],
"chemical_system": "As-Pt",
"density": 0.7718490351049573,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "As1 Pt1",
"formula_reduced": "AsPt",
"formula_anonymous": "AB",
"energy_above_hull": 3.4918815750000003,
"spacegroup": 99
},
{
"id": "jvasp-115306",
"created_at": "2022-09-04T14:38:45.727779Z",
"updated_at": "2022-09-04T14:38:45.727798Z",
"structure_string": "Sb2 S1 O2\n1.0\n-0.376818 2.942714 5.656081\n2.942711 -0.376795 5.656081\n2.565893 2.565919 0.000000\nSb S O\n2 1 2\ndirect\n0.679825 0.679822 0.320176 Sb\n0.420803 0.420802 0.079197 Sb\n0.062075 0.062074 0.437926 S\n0.326891 0.326888 0.673110 O\n0.010410 0.010410 -0.010410 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 5.3009174180609895,
"density_atomic": 0.05189296520124093,
"volume": 96.35217376016188,
"volume_molar": 11.604927058313466,
"formula_full": "Sb2 S1 O2",
"formula_reduced": "Sb2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.06085184,
"spacegroup": 44
},
{
"id": "jvasp-115388",
"created_at": "2022-09-04T14:38:45.727682Z",
"updated_at": "2022-09-04T14:38:45.727691Z",
"structure_string": "Pb1 S2\n1.0\n3.999269 -0.005380 -0.479650\n1.585169 -6.746110 -2.071832\n0.000594 -2.209592 -3.358530\nPb S\n1 2\ndirect\n0.049778 0.918641 0.854614 Pb\n0.508206 0.231335 -0.000279 S\n0.592062 0.606144 0.708556 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 6.092464736556634,
"density_atomic": 0.04056648387376207,
"volume": 73.95267505400844,
"volume_molar": 14.845113958459311,
"formula_full": "Pb1 S2",
"formula_reduced": "PbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0897036066666668,
"spacegroup": 12
},
{
"id": "jvasp-113698",
"created_at": "2022-09-04T14:38:45.727552Z",
"updated_at": "2022-09-04T14:38:45.727569Z",
"structure_string": "Y1 Mn1 O4\n1.0\n-1.926528 1.926528 5.414687\n1.926528 -1.926528 5.414687\n1.926528 1.926528 -5.414687\nY Mn O\n1 1 4\ndirect\n0.750001 0.250000 0.500001 Y\n0.000000 0.000000 0.000000 Mn\n0.979478 0.479477 0.500001 O\n0.831295 0.831295 0.000000 O\n0.520524 0.020523 0.500001 O\n0.168706 0.168706 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 4.293360496361991,
"density_atomic": 0.07463924733061718,
"volume": 80.38666270873269,
"volume_molar": 8.068329967643853,
"formula_full": "Y1 Mn1 O4",
"formula_reduced": "YMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.725484448563219,
"spacegroup": 119
},
{
"id": "jvasp-111040",
"created_at": "2022-09-04T14:38:45.726772Z",
"updated_at": "2022-09-04T14:38:45.726804Z",
"structure_string": "La6 Zn1 Cu1\n1.0\n4.920005 -0.000000 0.000000\n0.000000 4.920005 0.000000\n0.000000 -0.000000 9.836633\nLa Zn Cu\n6 1 1\ndirect\n0.500001 0.500001 -0.000000 La\n0.500001 0.500001 0.500000 La\n0.500001 0.000000 0.248090 La\n0.500001 0.000000 0.751909 La\n-0.000000 0.500001 0.248090 La\n-0.000000 0.500001 0.751909 La\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Zn",
"Cu"
],
"chemical_system": "Cu-La-Zn",
"density": 6.711531900522161,
"density_atomic": 0.03359792299461337,
"volume": 238.1099570137895,
"volume_molar": 17.924145968682375,
"formula_full": "La6 Zn1 Cu1",
"formula_reduced": "La6ZnCu",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.34918260625,
"spacegroup": 123
},
{
"id": "jvasp-112174",
"created_at": "2022-09-04T14:38:45.726699Z",
"updated_at": "2022-09-04T14:38:45.726717Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.686930 0.008144 -0.492205\n-1.391092 4.939094 -1.370923\n0.162343 0.011080 9.036416\nCd H C O\n1 6 5 4\ndirect\n0.730786 0.141760 0.402726 Cd\n0.282972 0.095006 0.801757 H\n0.295257 0.381934 0.590736 H\n0.301371 0.651437 0.843263 H\n0.796392 0.969917 0.723238 H\n0.820137 0.520814 0.774098 H\n0.963441 0.001179 0.920933 H\n0.234983 0.685206 0.490732 C\n0.153203 0.542298 0.596252 C\n0.071113 0.659321 0.757660 C\n0.752237 0.488928 0.067531 C\n0.025261 0.947594 0.802479 C\n0.336400 0.572564 0.349812 O\n0.237369 0.933608 0.500747 O\n0.754099 0.710079 0.119920 O\n0.251517 0.274138 0.297266 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.4389199424468146,
"density_atomic": 0.09690345105882518,
"volume": 165.11279861732902,
"volume_molar": 6.2145782159443055,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.143127109375,
"spacegroup": 1
},
{
"id": "jvasp-116801",
"created_at": "2022-09-04T14:38:45.726238Z",
"updated_at": "2022-09-04T14:38:45.726267Z",
"structure_string": "Pr4 B4 Mo2 O18\n1.0\n5.163476 -0.017445 1.264555\n1.636573 6.606216 1.868033\n-0.005225 -0.017722 10.608445\nPr B Mo O\n4 4 2 18\ndirect\n0.844844 0.794832 0.952547 Pr\n0.370184 0.079547 0.685312 Pr\n0.629817 0.920453 0.314688 Pr\n0.155157 0.205168 0.047453 Pr\n0.739245 0.249084 0.843099 B\n0.457549 0.589469 0.862286 B\n0.542452 0.410531 0.137714 B\n0.260756 0.750916 0.156900 B\n0.966560 0.291067 0.418692 Mo\n0.033441 0.708933 0.581307 Mo\n0.310000 0.185080 0.442448 O\n0.475549 0.782688 0.855718 O\n0.691732 0.458332 0.813330 O\n0.145751 0.443870 0.622778 O\n0.546495 0.144710 0.859760 O\n0.009024 0.863505 0.134800 O\n0.690001 0.814920 0.557552 O\n0.230460 0.791693 0.428904 O\n0.767071 0.475308 0.076940 O\n0.990977 0.136495 0.865199 O\n0.232930 0.524692 0.923059 O\n0.453506 0.855290 0.140240 O\n0.769541 0.208307 0.571095 O\n0.524452 0.217312 0.144282 O\n0.079487 0.828355 0.701112 O\n0.920514 0.171645 0.298887 O\n0.854250 0.556130 0.377221 O\n0.308269 0.541669 0.186669 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"B",
"Mo",
"O"
],
"chemical_system": "B-Mo-O-Pr",
"density": 4.980268670072951,
"density_atomic": 0.07727420308232098,
"volume": 362.3460208340333,
"volume_molar": 7.793209790315862,
"formula_full": "Pr4 B4 Mo2 O18",
"formula_reduced": "Pr2B2MoO9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 3.321103733333333,
"spacegroup": 2
},
{
"id": "jvasp-112993",
"created_at": "2022-09-04T14:38:45.721010Z",
"updated_at": "2022-09-04T14:38:45.721041Z",
"structure_string": "Zr3 Tl2 Cu2 Se8\n1.0\n6.924392 -0.028976 2.990662\n5.870316 3.672523 2.990662\n-0.151325 -0.043093 14.447705\nZr Tl Cu Se\n3 2 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.843146 0.843143 0.380182 Zr\n0.156856 0.156855 0.619817 Zr\n0.834305 0.834302 0.799844 Tl\n0.165697 0.165697 0.200155 Tl\n0.457177 0.457175 0.197613 Cu\n0.542825 0.542823 0.802386 Cu\n0.853070 0.853067 0.189526 Se\n0.146932 0.146932 0.810473 Se\n0.801261 0.801259 0.580787 Se\n0.198741 0.198740 0.419213 Se\n0.482091 0.482089 0.355064 Se\n0.517911 0.517910 0.644935 Se\n0.609941 0.609939 0.042507 Se\n0.390061 0.390060 0.957492 Se\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zr",
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl-Zr",
"density": 6.438948262536339,
"density_atomic": 0.04035800124917709,
"volume": 371.67351047410585,
"volume_molar": 14.921801312256,
"formula_full": "Zr3 Tl2 Cu2 Se8",
"formula_reduced": "Zr3Tl2(CuSe4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 1.7484864355555556,
"spacegroup": 12
},
{
"id": "jvasp-112158",
"created_at": "2022-09-04T14:38:45.713022Z",
"updated_at": "2022-09-04T14:38:45.713060Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.802183 -0.113754 0.331442\n-1.204652 4.294279 -1.381796\n-0.047605 0.043140 9.679960\nHf H C O\n1 8 6 4\ndirect\n0.034418 0.864668 0.690704 Hf\n0.785779 0.882797 0.083291 H\n0.312735 0.796484 0.117582 H\n0.804614 0.409195 0.146421 H\n0.321416 0.264646 0.143612 H\n0.061603 -0.001280 0.327313 H\n0.674484 0.134087 0.352754 H\n0.256216 0.643490 0.364031 H\n0.601108 0.500664 0.396796 H\n0.533017 0.686902 0.077730 C\n0.553280 0.481328 0.172647 C\n0.539396 0.641976 0.334884 C\n0.886693 0.105077 0.545193 C\n0.796374 0.977267 0.383882 C\n0.440736 0.521673 0.920126 C\n0.206674 0.246490 0.886218 O\n0.978238 0.430581 0.584893 O\n0.586506 0.982237 0.636927 O\n0.578082 0.672270 0.828120 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.412328601841515,
"density_atomic": 0.12102368237458049,
"volume": 156.99406617948614,
"volume_molar": 4.976001921145374,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.733634052631579,
"spacegroup": 1
},
{
"id": "jvasp-113048",
"created_at": "2022-09-04T14:38:45.711306Z",
"updated_at": "2022-09-04T14:38:45.711326Z",
"structure_string": "Zr14 V10 N4\n1.0\n7.511112 -0.014177 -4.306427\n-2.497962 7.064285 -4.338016\n-0.007352 0.014177 8.658063\nZr V N\n14 10 4\ndirect\n0.189910 0.939909 0.249999 Zr\n0.500000 0.499999 -0.000001 Zr\n0.811135 0.690441 0.753965 Zr\n0.436475 0.057168 0.746033 Zr\n0.436475 0.690441 0.379306 Zr\n0.811135 0.057168 0.120693 Zr\n0.439080 0.689079 0.749999 Zr\n0.000000 0.500000 0.500000 Zr\n0.188865 0.309558 0.246033 Zr\n0.563525 0.942831 0.253965 Zr\n0.563525 0.309558 0.620693 Zr\n0.188865 0.942831 0.879306 Zr\n0.560920 0.310920 0.249999 Zr\n0.810090 0.060090 0.749999 Zr\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 -0.000000 V\n0.189980 0.608751 0.918770 V\n0.189980 0.271210 0.581229 V\n0.190257 0.287648 0.902607 V\n0.810020 0.391249 0.081228 V\n0.810020 0.728789 0.418770 V\n0.809743 0.712351 0.097391 V\n0.114960 0.712352 0.402607 V\n0.885040 0.287648 0.597391 V\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.499999 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"V",
"N"
],
"chemical_system": "N-V-Zr",
"density": 6.658901786784773,
"density_atomic": 0.06093765097272741,
"volume": 459.4860411099761,
"volume_molar": 9.882462917212226,
"formula_full": "Zr14 V10 N4",
"formula_reduced": "Zr7V5N2",
"formula_anonymous": "A2B5C7",
"energy_above_hull": 5.459729928571429,
"spacegroup": 74
},
{
"id": "jvasp-117508",
"created_at": "2022-09-04T14:38:45.703909Z",
"updated_at": "2022-09-04T14:38:45.703920Z",
"structure_string": "B1 P1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nB P O\n1 1 1\ndirect\n-0.110300 -0.052482 0.000000 B\n0.038234 0.279041 0.000000 P\n0.264303 -0.011975 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"P",
"O"
],
"chemical_system": "B-O-P",
"density": 0.49963107629518766,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "B1 P1 O1",
"formula_reduced": "BPO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.763100527777778,
"spacegroup": 6
},
{
"id": "jvasp-112172",
"created_at": "2022-09-04T14:38:45.702499Z",
"updated_at": "2022-09-04T14:38:45.702524Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.011138 0.110778 0.360957\n1.301356 4.211132 1.200960\n0.069904 0.057487 8.500145\nCd H C O\n1 6 5 4\ndirect\n0.411619 0.274136 0.761799 Cd\n0.787485 0.009418 0.278486 H\n0.203478 0.787918 0.368857 H\n0.667891 0.496609 0.299247 H\n0.394023 0.457846 0.136702 H\n0.078890 0.280475 0.390725 H\n0.111223 0.263292 0.106087 H\n0.769064 0.778597 0.531833 C\n0.933126 0.784211 0.362093 C\n0.938390 0.498770 0.301001 C\n0.113776 0.483960 0.134494 C\n0.964885 0.754314 0.985404 C\n0.851161 0.508461 0.643238 O\n0.555008 0.038080 0.553270 O\n0.672762 0.971255 -0.001541 O\n0.139725 0.755202 0.851341 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.835747008789563,
"density_atomic": 0.11267023025190653,
"volume": 142.00734270470045,
"volume_molar": 5.344926292007908,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122605234375,
"spacegroup": 1
}
]
}