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=1127",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1125",
"results": [
{
"id": "jvasp-119428",
"created_at": "2022-09-04T14:38:52.794438Z",
"updated_at": "2022-09-04T14:38:52.794464Z",
"structure_string": "Zn8 I4 N4\n1.0\n6.312158 -0.000000 0.000000\n0.000000 6.419235 0.000000\n-0.000000 -0.000000 7.997911\nZn I N\n8 4 4\ndirect\n0.250000 0.651622 0.697014 Zn\n0.250000 0.151623 0.802986 Zn\n0.750000 0.348377 0.302986 Zn\n0.750000 0.848377 0.197014 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.250000 0.418429 0.381539 I\n0.250000 0.918429 0.118461 I\n0.750000 0.581570 0.618461 I\n0.750000 0.081571 0.881538 I\n0.250000 0.441552 0.873518 N\n0.250000 0.941552 0.626482 N\n0.750000 0.558447 0.126482 N\n0.750000 0.058447 0.373518 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"I",
"N"
],
"chemical_system": "I-N-Zn",
"density": 5.5693902200772145,
"density_atomic": 0.049372177251728905,
"volume": 324.069159810847,
"volume_molar": 12.197438102224098,
"formula_full": "Zn8 I4 N4",
"formula_reduced": "Zn2IN",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3408550812499999,
"spacegroup": 62
},
{
"id": "jvasp-119429",
"created_at": "2022-09-04T14:38:51.378989Z",
"updated_at": "2022-09-04T14:38:51.379010Z",
"structure_string": "Mg2 Cu4 Si2 Se8\n1.0\n6.571608 -0.000000 0.000000\n0.000000 6.835380 0.000000\n0.000000 -0.000000 7.997721\nMg Cu Si Se\n2 4 2 8\ndirect\n0.994960 0.653651 0.500000 Mg\n0.494960 0.346349 -0.000000 Mg\n0.007718 0.177868 0.752638 Cu\n0.007718 0.177868 0.247362 Cu\n0.507719 0.822132 0.747361 Cu\n0.507719 0.822132 0.252638 Cu\n0.497539 0.324686 0.500000 Si\n0.997539 0.675314 -0.000000 Si\n0.375050 0.158446 0.733163 Se\n0.375050 0.158446 0.266837 Se\n0.875050 0.841554 0.766837 Se\n0.875050 0.841554 0.233163 Se\n0.851443 0.304968 0.500000 Se\n0.351443 0.695032 -0.000000 Se\n0.390323 0.648146 0.500000 Se\n0.890323 0.351854 -0.000000 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-Mg-Se-Si",
"density": 4.578957226380359,
"density_atomic": 0.04453684209509736,
"volume": 359.2531317293663,
"volume_molar": 13.521705798406664,
"formula_full": "Mg2 Cu4 Si2 Se8",
"formula_reduced": "MgCu2SiSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9486377520833332,
"spacegroup": 31
},
{
"id": "jvasp-119430",
"created_at": "2022-09-04T14:38:51.411208Z",
"updated_at": "2022-09-04T14:38:51.411227Z",
"structure_string": "Ta8 B8 Os4\n1.0\n5.911618 0.000000 0.000000\n0.000000 5.911618 0.000000\n-0.000000 -0.000000 6.910702\nTa B Os\n8 8 4\ndirect\n0.664237 0.813357 0.500000 Ta\n0.335764 0.186644 0.500000 Ta\n0.835764 0.313356 -0.000000 Ta\n0.164237 0.686644 -0.000000 Ta\n0.813357 0.335764 0.500000 Ta\n0.186644 0.664237 0.500000 Ta\n0.313356 0.164237 -0.000000 Ta\n0.686644 0.835764 -0.000000 Ta\n0.613420 0.113420 0.750000 B\n0.386580 0.886580 0.750000 B\n0.113420 0.386580 0.250000 B\n0.886580 0.613420 0.250000 B\n0.613420 0.113420 0.250000 B\n0.113420 0.386580 0.750000 B\n0.386580 0.886580 0.250000 B\n0.886580 0.613420 0.750000 B\n0.500000 0.500000 0.778223 Os\n0.500000 0.500000 0.221776 Os\n0.000000 0.000000 0.721776 Os\n0.000000 0.000000 0.278223 Os\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"B",
"Os"
],
"chemical_system": "B-Os-Ta",
"density": 15.779571303513457,
"density_atomic": 0.08281234906699589,
"volume": 241.50987413507414,
"volume_molar": 7.272032284856499,
"formula_full": "Ta8 B8 Os4",
"formula_reduced": "Ta2B2Os",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.915251713333332,
"spacegroup": 128
},
{
"id": "jvasp-119431",
"created_at": "2022-09-04T14:38:33.234195Z",
"updated_at": "2022-09-04T14:38:33.234223Z",
"structure_string": "Yb4 Ge8 Pd4\n1.0\n7.878346 0.002949 -5.171524\n-0.551594 4.235141 -8.400734\n-0.000834 -0.002949 9.424065\nYb Ge Pd\n4 8 4\ndirect\n0.261831 -0.000000 0.261831 Yb\n0.738170 -0.000000 0.738169 Yb\n0.296066 0.796065 0.500000 Yb\n0.703935 0.203934 0.500001 Yb\n0.921480 0.421479 0.500001 Ge\n0.078521 0.578520 0.500000 Ge\n0.424663 0.424663 0.000001 Ge\n0.575338 0.575337 0.000001 Ge\n0.047174 0.194579 0.852594 Ge\n0.952828 0.805421 0.147407 Ge\n0.341985 0.194579 0.147406 Ge\n0.658017 0.805421 0.852595 Ge\n0.104162 0.352009 0.752152 Pd\n0.895840 0.647991 0.247849 Pd\n0.599857 0.352009 0.247848 Pd\n0.400144 0.647991 0.752153 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Yb",
"density": 8.97793307455236,
"density_atomic": 0.050917150941750776,
"volume": 314.2359637974246,
"volume_molar": 11.827332536514719,
"formula_full": "Yb4 Ge8 Pd4",
"formula_reduced": "YbGe2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.435492075,
"spacegroup": 71
},
{
"id": "jvasp-119432",
"created_at": "2022-09-04T14:38:33.249365Z",
"updated_at": "2022-09-04T14:38:33.249397Z",
"structure_string": "Ba4 Hf3 S10\n1.0\n4.936476 0.000947 -17.487658\n-0.093695 4.935587 -17.487658\n-0.000929 -0.000947 18.171048\nBa Hf S\n4 3 10\ndirect\n0.432237 0.432237 0.000000 Ba\n0.567763 0.567764 0.000001 Ba\n0.299861 0.299862 0.000000 Ba\n0.700139 0.700140 0.000001 Ba\n0.000000 0.000000 0.000000 Hf\n0.857620 0.857621 0.000001 Hf\n0.142380 0.142380 0.000000 Hf\n0.138698 0.638699 0.500000 S\n0.361301 0.861302 0.500000 S\n-0.000001 0.500000 0.499999 S\n0.500000 -0.000000 0.500000 S\n0.070263 0.070263 0.000000 S\n0.787587 0.787588 0.000001 S\n0.638699 0.138699 0.500000 S\n0.929737 0.929739 0.000001 S\n0.212413 0.212413 0.000000 S\n0.861301 0.361302 0.500001 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.273278249128945,
"density_atomic": 0.03841244134853429,
"volume": 442.5649451892667,
"volume_molar": 15.677578796302642,
"formula_full": "Ba4 Hf3 S10",
"formula_reduced": "Ba4Hf3S10",
"formula_anonymous": "A3B4C10",
"energy_above_hull": 2.41475664,
"spacegroup": 139
},
{
"id": "jvasp-119433",
"created_at": "2022-09-04T14:38:49.641336Z",
"updated_at": "2022-09-04T14:38:49.641362Z",
"structure_string": "Tl4 Cl12\n1.0\n5.739173 -0.000000 0.000000\n0.000000 7.019576 0.000000\n-0.000000 -0.000000 10.693298\nTl Cl\n4 12\ndirect\n-0.135415 0.750000 0.188262 Tl\n0.635415 0.750000 0.688262 Tl\n0.135415 0.250000 0.811739 Tl\n0.364585 0.250000 0.311738 Tl\n0.004048 0.750000 -0.026782 Cl\n0.495952 0.750000 0.473218 Cl\n-0.004048 0.250000 0.026782 Cl\n0.504048 0.250000 0.526782 Cl\n-0.012409 0.010311 0.344057 Cl\n0.512409 0.489689 0.844057 Cl\n0.012409 0.510311 0.655943 Cl\n0.487590 -0.010311 0.155943 Cl\n0.012409 -0.010311 0.655943 Cl\n0.487590 0.510311 0.155943 Cl\n-0.012409 0.489689 0.344057 Cl\n0.512409 0.010311 0.844057 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 4.791126064244969,
"density_atomic": 0.03714053164665246,
"volume": 430.79620270977216,
"volume_molar": 16.214471072448386,
"formula_full": "Tl4 Cl12",
"formula_reduced": "TlCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1201270337499999,
"spacegroup": 62
},
{
"id": "jvasp-119434",
"created_at": "2022-09-04T14:38:49.659534Z",
"updated_at": "2022-09-04T14:38:49.659557Z",
"structure_string": "Nb10 Si6 P2\n1.0\n7.812390 0.000000 0.000000\n-3.906194 6.765729 0.000000\n0.000000 0.000000 5.443845\nNb Si P\n10 6 2\ndirect\n0.666667 0.333333 -0.000000 Nb\n0.000000 0.734687 0.250000 Nb\n0.265313 0.265313 0.250000 Nb\n0.000000 0.265313 0.750001 Nb\n0.265313 -0.000000 0.750001 Nb\n0.734687 -0.000000 0.250000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333334 0.666667 0.500000 Nb\n0.333334 0.666667 -0.000000 Nb\n0.734688 0.734687 0.750001 Nb\n0.399412 0.399412 0.750001 Si\n0.600588 -0.000000 0.750001 Si\n0.000000 0.600588 0.750001 Si\n0.600589 0.600588 0.250000 Si\n0.399412 -0.000000 0.250000 Si\n0.000000 0.399412 0.250000 Si\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nb",
"Si",
"P"
],
"chemical_system": "Nb-P-Si",
"density": 6.691518701513314,
"density_atomic": 0.06255589473835019,
"volume": 287.7426671824904,
"volume_molar": 9.626815802393276,
"formula_full": "Nb10 Si6 P2",
"formula_reduced": "Nb5Si3P",
"formula_anonymous": "AB3C5",
"energy_above_hull": 5.176020922222222,
"spacegroup": 193
},
{
"id": "jvasp-119436",
"created_at": "2022-09-04T14:38:49.711765Z",
"updated_at": "2022-09-04T14:38:49.711785Z",
"structure_string": "U4 Mn4 B16\n1.0\n3.462695 -0.000000 0.000000\n0.000000 5.840725 0.000000\n0.000000 -0.000000 11.320843\nU Mn B\n4 4 16\ndirect\n-0.000000 0.626542 0.349509 U\n-0.000000 0.373459 0.650491 U\n-0.000000 0.126541 0.150491 U\n-0.000000 0.873459 0.849509 U\n-0.000000 0.635602 0.091283 Mn\n-0.000000 0.364398 0.908717 Mn\n-0.000000 0.135602 0.408717 Mn\n-0.000000 0.864399 0.591283 Mn\n0.500001 0.026112 0.691129 B\n0.500001 0.973889 0.308870 B\n0.500001 0.613108 0.954192 B\n0.500001 0.386893 0.045808 B\n0.500001 0.113108 0.545808 B\n0.500001 0.886893 0.454192 B\n0.500001 0.636010 0.533186 B\n0.500001 0.716041 0.686751 B\n0.500001 0.136010 0.966813 B\n0.500001 0.863991 0.033186 B\n0.500001 0.473889 0.191129 B\n0.500001 0.283959 0.313248 B\n0.500001 0.216041 0.813248 B\n0.500001 0.783960 0.186751 B\n0.500001 0.363991 0.466814 B\n0.500001 0.526112 0.808870 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"U",
"Mn",
"B"
],
"chemical_system": "B-Mn-U",
"density": 9.75351559970963,
"density_atomic": 0.10482176679806071,
"volume": 228.96007893318603,
"volume_molar": 5.745124265651487,
"formula_full": "U4 Mn4 B16",
"formula_reduced": "UMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.100722262452107,
"spacegroup": 55
},
{
"id": "jvasp-119437",
"created_at": "2022-09-04T14:38:33.391387Z",
"updated_at": "2022-09-04T14:38:33.391417Z",
"structure_string": "Zr14 As8\n1.0\n8.092727 -0.006291 2.096719\n7.244711 3.606445 2.096719\n-0.030336 -0.007121 15.132095\nZr As\n14 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.820242 0.820241 0.544426 Zr\n0.179758 0.179758 0.455574 Zr\n0.997939 0.997938 0.663195 Zr\n0.662010 0.662008 0.033365 Zr\n0.337991 0.337991 0.966636 Zr\n0.793618 0.793617 0.796527 Zr\n0.002061 0.002061 0.336806 Zr\n0.805059 0.805057 0.307216 Zr\n0.194941 0.194942 0.692784 Zr\n0.569811 0.569810 0.833467 Zr\n0.430190 0.430189 0.166534 Zr\n0.500000 0.500000 0.500000 Zr\n0.206383 0.206382 0.203473 Zr\n0.062059 0.062059 0.150417 As\n0.177950 0.177950 0.892122 As\n0.822051 0.822049 0.107879 As\n0.371645 0.371644 0.400940 As\n0.628356 0.628355 0.599061 As\n0.370046 0.370046 0.660626 As\n0.629955 0.629954 0.339375 As\n0.937942 0.937941 0.849584 As\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 7.040618277538136,
"density_atomic": 0.04970885694898672,
"volume": 442.5770647387307,
"volume_molar": 12.114824459110311,
"formula_full": "Zr14 As8",
"formula_reduced": "Zr7As4",
"formula_anonymous": "A4B7",
"energy_above_hull": 4.249128954545455,
"spacegroup": 12
},
{
"id": "jvasp-119439",
"created_at": "2022-09-04T14:38:50.195847Z",
"updated_at": "2022-09-04T14:38:50.195868Z",
"structure_string": "Hf6 Ga16 Pd7\n1.0\n7.632112 0.000000 4.406402\n2.544037 7.195625 4.406402\n-0.000000 0.000000 8.812804\nHf Ga Pd\n6 16 7\ndirect\n0.683686 0.683685 0.316314 Hf\n0.316315 0.683685 0.316314 Hf\n0.683686 0.316314 0.316314 Hf\n0.316314 0.316314 0.683685 Hf\n0.683686 0.316314 0.683685 Hf\n0.316315 0.683685 0.683685 Hf\n0.340897 0.340897 0.340897 Ga\n0.977308 0.340897 0.340897 Ga\n0.340898 0.977308 0.340897 Ga\n0.340897 0.340897 0.977308 Ga\n0.659103 0.659102 0.659102 Ga\n0.022692 0.659102 0.659102 Ga\n0.659103 0.022692 0.659102 Ga\n0.659103 0.659102 0.022691 Ga\n0.634935 0.121688 0.121688 Ga\n0.121689 0.634934 0.121688 Ga\n0.121688 0.121688 0.634934 Ga\n0.878312 0.878311 0.878311 Ga\n0.365066 0.878311 0.878311 Ga\n0.878311 0.365065 0.878311 Ga\n0.878312 0.878311 0.365065 Ga\n0.121688 0.121688 0.121688 Ga\n0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Pd"
],
"chemical_system": "Ga-Hf-Pd",
"density": 10.05782150398789,
"density_atomic": 0.05991983787023153,
"volume": 483.9799477229117,
"volume_molar": 10.050328862775226,
"formula_full": "Hf6 Ga16 Pd7",
"formula_reduced": "Hf6Ga16Pd7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 1.6454398310344829,
"spacegroup": 225
},
{
"id": "jvasp-119440",
"created_at": "2022-09-04T14:38:52.501551Z",
"updated_at": "2022-09-04T14:38:52.501562Z",
"structure_string": "Y20 Cd6 Ru2\n1.0\n9.596412 -0.000000 0.000000\n-4.798206 8.310737 0.000000\n-0.000000 -0.000000 9.733806\nY Cd Ru\n20 6 2\ndirect\n0.000000 0.000000 0.500000 Y\n0.082497 0.541249 0.750000 Y\n0.458751 0.917503 0.750000 Y\n0.458751 0.541249 0.750000 Y\n0.917503 0.458752 0.250000 Y\n0.541248 0.082497 0.250000 Y\n0.541248 0.458752 0.250000 Y\n0.209606 0.419213 0.059626 Y\n0.209606 0.790394 0.059626 Y\n0.419213 0.209606 0.940374 Y\n0.580787 0.790394 0.059626 Y\n0.790394 0.209606 0.940374 Y\n0.790394 0.580787 0.940374 Y\n0.209606 0.790394 0.440374 Y\n0.209606 0.419213 0.440374 Y\n0.580787 0.790394 0.440374 Y\n0.000000 0.000000 0.000000 Y\n0.790394 0.580787 0.559626 Y\n0.419213 0.209606 0.559626 Y\n0.790394 0.209606 0.559626 Y\n0.884308 0.115692 0.250000 Cd\n0.884308 0.768618 0.250000 Cd\n0.231382 0.115692 0.250000 Cd\n0.115691 0.884309 0.750000 Cd\n0.115692 0.231382 0.750000 Cd\n0.768617 0.884309 0.750000 Cd\n0.333333 0.666667 0.250000 Ru\n0.666666 0.333333 0.750000 Ru\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Ru"
],
"chemical_system": "Cd-Ru-Y",
"density": 5.678546672104082,
"density_atomic": 0.03606840362391206,
"volume": 776.3027244554013,
"volume_molar": 16.69644385372115,
"formula_full": "Y20 Cd6 Ru2",
"formula_reduced": "Y10Cd3Ru",
"formula_anonymous": "AB3C10",
"energy_above_hull": 2.441230303571428,
"spacegroup": 194
},
{
"id": "jvasp-119445",
"created_at": "2022-09-04T14:38:50.265444Z",
"updated_at": "2022-09-04T14:38:50.265473Z",
"structure_string": "Pr12 Ga8 Ni8\n1.0\n5.707116 -0.000000 0.000000\n0.000000 8.157325 0.000000\n-0.000000 -0.000000 13.102760\nPr Ga Ni\n12 8 8\ndirect\n0.148692 0.894876 0.598159 Pr\n0.851309 0.105123 0.098159 Pr\n0.148692 0.605123 0.401841 Pr\n0.851309 0.394876 0.901841 Pr\n0.851309 0.105123 0.401841 Pr\n0.148692 0.894876 0.901841 Pr\n0.851309 0.394876 0.598159 Pr\n0.148692 0.605123 0.098159 Pr\n0.351597 0.247531 0.750000 Pr\n0.648404 0.752469 0.250000 Pr\n0.351597 0.252469 0.250000 Pr\n0.648404 0.747531 0.750000 Pr\n0.354688 0.250000 -0.000000 Ga\n0.645313 0.750000 0.500000 Ga\n0.645313 0.750000 -0.000000 Ga\n0.354688 0.250000 0.500000 Ga\n0.161371 0.898637 0.250000 Ga\n0.838630 0.398638 0.250000 Ga\n0.838630 0.101362 0.750000 Ga\n0.161371 0.601362 0.750000 Ga\n0.384598 0.532573 0.588919 Ni\n0.615403 0.032573 0.588919 Ni\n0.384598 0.967426 0.088919 Ni\n0.615403 0.467426 0.411081 Ni\n0.384598 0.532573 0.911081 Ni\n0.384598 0.967426 0.411081 Ni\n0.615403 0.032573 0.911081 Ni\n0.615403 0.467426 0.088919 Ni\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Pr",
"density": 7.399577593553865,
"density_atomic": 0.045901912380001214,
"volume": 609.9963715716382,
"volume_molar": 13.11958575962024,
"formula_full": "Pr12 Ga8 Ni8",
"formula_reduced": "Pr3(GaNi)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.9453570000000004,
"spacegroup": 57
}
]
}