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=elements&page=4067",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4065",
"results": [
{
"id": "jvasp-106806",
"created_at": "2022-09-04T14:37:00.398826Z",
"updated_at": "2022-09-04T14:37:00.398850Z",
"structure_string": "Hf1 U1 Nb2 C4\n1.0\n3.226198 0.002899 10.595279\n1.579768 2.812952 10.595279\n0.004948 0.002899 11.075570\nHf U Nb C\n1 1 2 4\ndirect\n0.370551 0.370550 0.370549 Hf\n0.126031 0.126031 0.126031 U\n0.879535 0.879533 0.879532 Nb\n0.623734 0.623733 0.623732 Nb\n0.506538 0.506537 0.506537 C\n0.251646 0.251645 0.251645 C\n0.996415 0.996413 0.996411 C\n0.745559 0.745557 0.745556 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Hf",
"U",
"Nb",
"C"
],
"chemical_system": "C-Hf-Nb-U",
"density": 10.77131423752769,
"density_atomic": 0.07978956557873529,
"volume": 100.26373676775701,
"volume_molar": 7.5475291992377525,
"formula_full": "Hf1 U1 Nb2 C4",
"formula_reduced": "HfU(NbC2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 6.700547225,
"spacegroup": 160
},
{
"id": "jvasp-103714",
"created_at": "2022-09-04T14:37:01.374465Z",
"updated_at": "2022-09-04T14:37:01.374483Z",
"structure_string": "Hf1 U1 Ta2 C4\n1.0\n3.198753 -0.000439 10.626626\n1.564334 2.790139 10.626626\n-0.000749 -0.000439 11.097621\nHf U Ta C\n1 1 2 4\ndirect\n0.995656 0.995658 0.995662 Hf\n0.750875 0.750876 0.750879 U\n0.503987 0.503988 0.503990 Ta\n0.249033 0.249033 0.249034 Ta\n0.876847 0.876848 0.876851 C\n0.620351 0.620352 0.620354 C\n0.370247 0.370247 0.370249 C\n0.132995 0.132995 0.132995 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Hf",
"U",
"Ta",
"C"
],
"chemical_system": "C-Hf-Ta-U",
"density": 13.850611955238302,
"density_atomic": 0.08074011100453475,
"volume": 99.08334160638795,
"volume_molar": 7.458672876560409,
"formula_full": "Hf1 U1 Ta2 C4",
"formula_reduced": "HfU(TaC2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 7.047895925,
"spacegroup": 160
},
{
"id": "jvasp-99987",
"created_at": "2022-09-04T14:36:53.710441Z",
"updated_at": "2022-09-04T14:36:53.710458Z",
"structure_string": "Hf1 Zr1 C1 N1\n1.0\n3.131083 -0.000992 4.730924\n1.423017 2.789034 4.730924\n-0.001621 -0.000992 5.673210\nHf Zr C N\n1 1 1 1\ndirect\n0.000944 0.000944 0.000944 Hf\n0.498917 0.498917 0.498916 Zr\n0.748196 0.748196 0.748194 C\n0.251943 0.251943 0.251943 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Hf",
"Zr",
"C",
"N"
],
"chemical_system": "C-Hf-N-Zr",
"density": 9.904701165307022,
"density_atomic": 0.0806779457627128,
"volume": 49.57984443189298,
"volume_molar": 7.464420050694044,
"formula_full": "Hf1 Zr1 C1 N1",
"formula_reduced": "HfZrCN",
"formula_anonymous": "ABCD",
"energy_above_hull": 4.8552976875,
"spacegroup": 160
},
{
"id": "jvasp-100833",
"created_at": "2022-09-04T14:36:36.453195Z",
"updated_at": "2022-09-04T14:36:36.453204Z",
"structure_string": "Hf1 Zr2 U1 C4\n1.0\n3.321791 -0.002415 10.736550\n1.620931 2.899463 10.736550\n-0.004121 -0.002415 11.238673\nHf Zr U C\n1 2 1 4\ndirect\n0.996349 0.996344 0.996350 Hf\n0.503646 0.503643 0.503646 Zr\n0.250397 0.250396 0.250397 Zr\n0.749520 0.749516 0.749521 U\n0.875998 0.875993 0.875999 C\n0.625404 0.625400 0.625404 C\n0.372454 0.372452 0.372454 C\n0.126239 0.126239 0.126239 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Hf",
"Zr",
"U",
"C"
],
"chemical_system": "C-Hf-U-Zr",
"density": 9.90574759896814,
"density_atomic": 0.0737593955362843,
"volume": 108.46075868483192,
"volume_molar": 8.164574446705629,
"formula_full": "Hf1 Zr2 U1 C4",
"formula_reduced": "HfZr2UC4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 6.33542475,
"spacegroup": 160
},
{
"id": "jvasp-29407",
"created_at": "2022-09-04T14:36:40.026730Z",
"updated_at": "2022-09-04T14:36:40.026756Z",
"structure_string": "Hg6 As2 S8 Br2\n1.0\n7.572386 -0.000000 -0.000000\n-3.786193 6.557878 0.000000\n-0.000000 -0.000000 9.340316\nHg As S Br\n6 2 8 2\ndirect\n0.495588 0.991175 0.245249 Hg\n0.991175 0.495587 0.745249 Hg\n0.008826 0.504413 0.245249 Hg\n0.504413 0.495587 0.745249 Hg\n0.504413 0.008826 0.745249 Hg\n0.495588 0.504413 0.245249 Hg\n0.000000 0.000000 0.728365 As\n0.000000 0.000000 0.228364 As\n0.333334 0.666667 0.104647 S\n0.148488 0.851513 0.862566 S\n0.851513 0.703026 0.362566 S\n0.296974 0.148488 0.362566 S\n0.703027 0.851513 0.862566 S\n0.851513 0.148488 0.362566 S\n0.666668 0.333333 0.604648 S\n0.148488 0.296974 0.862566 S\n0.666668 0.333333 0.023549 Br\n0.333334 0.666667 0.523549 Br\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Hg",
"As",
"S",
"Br"
],
"chemical_system": "As-Br-Hg-S",
"density": 6.335688995410805,
"density_atomic": 0.03880742785559473,
"volume": 463.82873059712466,
"volume_molar": 15.518010578822242,
"formula_full": "Hg6 As2 S8 Br2",
"formula_reduced": "Hg3AsS4Br",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6104788505555556,
"spacegroup": 186
},
{
"id": "jvasp-26739",
"created_at": "2022-09-04T14:38:29.199095Z",
"updated_at": "2022-09-04T14:38:29.199111Z",
"structure_string": "Hg6 As16 S16 Br12\n1.0\n0.000000 9.272473 -0.245736\n11.687104 0.000000 0.000000\n0.000000 -3.786271 -12.821129\nHg As S Br\n6 16 16 12\ndirect\n0.249441 0.792011 0.310329 Hg\n0.750559 0.292011 0.189671 Hg\n0.249441 0.707989 0.810329 Hg\n0.750559 0.207989 0.689671 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.639218 0.645069 0.310024 As\n0.647020 0.576534 0.926362 As\n0.352980 0.423466 0.073638 As\n0.602947 0.866384 -0.000802 As\n0.397053 0.133615 0.000802 As\n0.602947 0.633615 0.499198 As\n0.352980 0.076534 0.573638 As\n0.904779 0.819576 0.488086 As\n0.360782 0.145069 0.189976 As\n0.904779 0.680423 0.988086 As\n0.639218 0.854931 0.810024 As\n0.095221 0.319577 0.011914 As\n0.397053 0.366385 0.500802 As\n0.095221 0.180423 0.511914 As\n0.647020 0.923465 0.426362 As\n0.360782 0.354931 0.689976 As\n0.884763 0.800944 0.850928 S\n0.884763 0.699055 0.350928 S\n0.510239 0.813357 0.510597 S\n0.163616 0.184314 0.908760 S\n0.510239 0.686643 0.010597 S\n0.489761 0.186643 0.489403 S\n0.115236 0.199056 0.149072 S\n0.836384 0.815686 0.091240 S\n0.441620 0.329311 0.227643 S\n0.115237 0.300944 0.649072 S\n0.163616 0.315686 0.408760 S\n0.558380 0.829310 0.272357 S\n0.489761 0.313357 -0.010597 S\n0.558380 0.670689 0.772357 S\n0.441620 0.170689 0.727644 S\n0.836384 0.684314 0.591240 S\n0.267092 0.917612 0.775746 Br\n0.732908 0.082388 0.224255 Br\n0.237082 0.619243 0.568399 Br\n0.237082 0.880756 0.068399 Br\n0.131610 0.978579 0.335425 Br\n0.868390 0.021421 0.664575 Br\n0.762918 0.119244 0.931601 Br\n0.762918 0.380756 0.431601 Br\n0.131610 0.521421 0.835425 Br\n0.868390 0.478579 0.164575 Br\n0.732908 0.417612 0.724255 Br\n0.267092 0.582388 0.275746 Br\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Hg",
"As",
"S",
"Br"
],
"chemical_system": "As-Br-Hg-S",
"density": 4.59424038184588,
"density_atomic": 0.035707179299235864,
"volume": 1400.2786269110313,
"volume_molar": 16.865349988955508,
"formula_full": "Hg6 As16 S16 Br12",
"formula_reduced": "Hg3As8(S4Br3)2",
"formula_anonymous": "A3B6C8D8",
"energy_above_hull": 1.4288668972,
"spacegroup": 14
},
{
"id": "jvasp-29468",
"created_at": "2022-09-04T14:38:03.440371Z",
"updated_at": "2022-09-04T14:38:03.440396Z",
"structure_string": "Hg6 As2 S8 Cl2\n1.0\n7.579362 0.000000 -0.000000\n-3.789682 6.563921 -0.000000\n0.000000 0.000000 9.012700\nHg As S Cl\n6 2 8 2\ndirect\n0.503825 0.496175 0.746043 Hg\n0.496175 0.503825 0.246043 Hg\n0.496175 0.992350 0.246043 Hg\n0.007650 0.503825 0.246043 Hg\n0.992350 0.496175 0.746043 Hg\n0.503825 0.007650 0.746043 Hg\n0.000000 0.000000 0.724062 As\n0.000000 0.000000 0.224062 As\n0.147949 0.852051 0.864299 S\n0.295898 0.147949 0.364299 S\n0.333333 0.666667 0.103649 S\n0.147949 0.295898 0.864299 S\n0.666667 0.333333 0.603649 S\n0.704102 0.852051 0.864299 S\n0.852051 0.704102 0.364299 S\n0.852050 0.147949 0.364299 S\n0.333333 0.666667 0.528561 Cl\n0.666667 0.333333 0.028561 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Hg",
"As",
"S",
"Cl"
],
"chemical_system": "As-Cl-Hg-S",
"density": 6.224673883865601,
"density_atomic": 0.040144087852470076,
"volume": 448.38482981977774,
"volume_molar": 15.001314221240815,
"formula_full": "Hg6 As2 S8 Cl2",
"formula_reduced": "Hg3AsS4Cl",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.6312444019444444,
"spacegroup": 186
},
{
"id": "jvasp-29551",
"created_at": "2022-09-04T14:36:41.480391Z",
"updated_at": "2022-09-04T14:36:41.480420Z",
"structure_string": "Hg6 As2 Se8 Br2\n1.0\n7.880810 -0.000000 0.000000\n-3.940405 6.824982 -0.000000\n0.000000 -0.000000 9.480667\nHg As Se Br\n6 2 8 2\ndirect\n0.497176 0.502824 0.243849 Hg\n0.502824 0.005648 0.743849 Hg\n0.502825 0.497175 0.743849 Hg\n0.005648 0.502824 0.243849 Hg\n0.497176 0.994352 0.243849 Hg\n0.994352 0.497175 0.743849 Hg\n0.000000 0.000000 0.222949 As\n0.000000 0.000000 0.722950 As\n0.298608 0.149304 0.367885 Se\n0.666667 0.333333 0.600011 Se\n0.850696 0.149304 0.367885 Se\n0.701393 0.850696 0.867886 Se\n0.850696 0.701392 0.367885 Se\n0.149304 0.850696 0.867886 Se\n0.333333 0.666667 0.100011 Se\n0.149304 0.298608 0.867886 Se\n0.333333 0.666667 0.525936 Br\n0.666667 0.333333 0.025936 Br\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Hg",
"As",
"Se",
"Br"
],
"chemical_system": "As-Br-Hg-Se",
"density": 6.984560043977448,
"density_atomic": 0.0352989059403061,
"volume": 509.9308185483074,
"volume_molar": 17.060417595332922,
"formula_full": "Hg6 As2 Se8 Br2",
"formula_reduced": "Hg3AsSe4Br",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.3459770135185184,
"spacegroup": 186
},
{
"id": "jvasp-29609",
"created_at": "2022-09-04T14:38:03.178355Z",
"updated_at": "2022-09-04T14:38:03.178374Z",
"structure_string": "Hg6 As2 Se8 I2\n1.0\n7.865318 -0.000000 0.000000\n-3.932659 6.811565 0.000000\n0.000000 -0.000000 9.991272\nHg As Se I\n6 2 8 2\ndirect\n0.496737 0.993475 0.242917 Hg\n0.503264 0.006526 0.742917 Hg\n0.006526 0.503264 0.242917 Hg\n0.993474 0.496737 0.742917 Hg\n0.496737 0.503264 0.242917 Hg\n0.503264 0.496737 0.742917 Hg\n0.000000 0.000000 0.231451 As\n0.000000 0.000000 0.731451 As\n0.698866 0.849434 0.866563 Se\n0.666667 0.333333 0.603023 Se\n0.150567 0.849434 0.866563 Se\n0.333333 0.666667 0.103023 Se\n0.301134 0.150567 0.366563 Se\n0.849434 0.150567 0.366563 Se\n0.849434 0.698866 0.366563 Se\n0.150567 0.301134 0.866563 Se\n0.333333 0.666667 0.521705 I\n0.666667 0.333333 0.021705 I\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Hg",
"As",
"Se",
"I"
],
"chemical_system": "As-Hg-I-Se",
"density": 6.945354473130187,
"density_atomic": 0.03362703155684967,
"volume": 535.2836443374224,
"volume_molar": 17.908630292920748,
"formula_full": "Hg6 As2 Se8 I2",
"formula_reduced": "Hg3AsSe4I",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.3195939212962961,
"spacegroup": 186
},
{
"id": "jvasp-29547",
"created_at": "2022-09-04T14:37:02.551838Z",
"updated_at": "2022-09-04T14:37:02.551863Z",
"structure_string": "Hg1 B2 C8 N8\n1.0\n7.830922 0.000000 0.000000\n-3.915461 6.781778 -0.000000\n-0.000000 0.000000 5.907559\nHg B C N\n1 2 8 8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.391018 B\n0.333333 0.666667 0.608982 B\n0.223226 0.776775 0.699977 C\n0.666667 0.333333 0.659115 C\n0.776774 0.223226 0.300023 C\n0.446451 0.223226 0.300023 C\n0.333333 0.666667 0.340885 C\n0.553549 0.776775 0.699977 C\n0.776774 0.553549 0.300023 C\n0.223226 0.446452 0.699977 C\n0.666667 0.333333 0.855709 N\n0.142339 0.284678 0.762653 N\n0.142339 0.857661 0.762653 N\n0.284678 0.142339 0.237347 N\n0.857661 0.715322 0.237347 N\n0.715322 0.857661 0.762653 N\n0.333333 0.666667 0.144291 N\n0.857661 0.142339 0.237347 N\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hg",
"B",
"C",
"N"
],
"chemical_system": "B-C-Hg-N",
"density": 2.2777580003285642,
"density_atomic": 0.06056044614230555,
"volume": 313.7361299379071,
"volume_molar": 9.944016505177508,
"formula_full": "Hg1 B2 C8 N8",
"formula_reduced": "HgB2(CN)8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 6.440733987719298,
"spacegroup": 164
},
{
"id": "jvasp-98566",
"created_at": "2022-09-04T14:37:41.385096Z",
"updated_at": "2022-09-04T14:37:41.385129Z",
"structure_string": "Hg24 Bi4 Sb16 Br28\n1.0\n13.267156 0.000000 0.000000\n-0.000000 13.267156 -0.000000\n-0.000000 -0.000000 13.267156\nHg Bi Sb Br\n24 4 16 28\ndirect\n0.182630 0.299895 0.445272 Hg\n0.200105 0.945272 0.182630 Hg\n0.700105 0.945272 0.317370 Hg\n0.317370 0.799895 0.445272 Hg\n0.554728 0.682630 0.200105 Hg\n0.445272 0.317370 0.799895 Hg\n0.054728 0.817370 0.799895 Hg\n0.299895 0.054728 0.682630 Hg\n0.182630 0.200105 0.945272 Hg\n0.799895 0.445272 0.317370 Hg\n0.682630 0.299895 0.054728 Hg\n0.817370 0.799895 0.054728 Hg\n0.700105 0.554728 0.817370 Hg\n0.682630 0.200105 0.554728 Hg\n0.054728 0.682630 0.299895 Hg\n0.817370 0.700105 0.554728 Hg\n0.299895 0.445272 0.182630 Hg\n0.945272 0.182630 0.200105 Hg\n0.554728 0.817370 0.700105 Hg\n0.445272 0.182630 0.299895 Hg\n0.799895 0.054728 0.817370 Hg\n0.200105 0.554728 0.682630 Hg\n0.317370 0.700105 0.945272 Hg\n0.945272 0.317370 0.700105 Hg\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.740161 0.759839 0.240161 Sb\n0.259839 0.259839 0.259839 Sb\n0.759839 0.259839 0.240161 Sb\n0.133969 0.133969 0.133969 Sb\n0.866032 0.866032 0.866032 Sb\n0.759839 0.240161 0.740161 Sb\n0.240161 0.740161 0.759839 Sb\n0.366032 0.633969 0.133969 Sb\n0.633969 0.133969 0.366032 Sb\n0.366032 0.866032 0.633969 Sb\n0.633969 0.366032 0.866032 Sb\n0.133969 0.366032 0.633969 Sb\n0.740161 0.740161 0.740161 Sb\n0.240161 0.759839 0.259839 Sb\n0.866032 0.633969 0.366032 Sb\n0.259839 0.240161 0.759839 Sb\n0.044555 0.055739 0.707534 Br\n0.292467 0.544555 0.444261 Br\n0.207534 0.044555 0.444261 Br\n0.207534 0.455445 0.944262 Br\n0.944262 0.292467 0.955445 Br\n0.955445 0.555739 0.792467 Br\n0.044555 0.444261 0.207534 Br\n0.555739 0.707534 0.455445 Br\n0.055739 0.792467 0.544555 Br\n0.792467 0.955445 0.555739 Br\n0.555739 0.792467 0.955445 Br\n0.792467 0.544555 0.055739 Br\n0.000000 0.500000 0.500000 Br\n0.055739 0.707534 0.044555 Br\n0.500000 0.000000 0.500000 Br\n0.944262 0.207534 0.455445 Br\n0.955445 0.944262 0.292467 Br\n0.292467 0.955445 0.944262 Br\n0.707534 0.044555 0.055739 Br\n0.455445 0.944262 0.207534 Br\n0.000000 0.000000 0.000000 Br\n0.544555 0.444261 0.292467 Br\n0.444261 0.207534 0.044555 Br\n0.544555 0.055739 0.792467 Br\n0.455445 0.555739 0.707534 Br\n0.707534 0.455445 0.555739 Br\n0.444261 0.292467 0.544555 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Hg",
"Bi",
"Sb",
"Br"
],
"chemical_system": "Bi-Br-Hg-Sb",
"density": 6.993819178326699,
"density_atomic": 0.030831807739451156,
"volume": 2335.2506803508527,
"volume_molar": 19.532233759664724,
"formula_full": "Hg24 Bi4 Sb16 Br28",
"formula_reduced": "Hg6BiSb4Br7",
"formula_anonymous": "AB4C6D7",
"energy_above_hull": 0.0,
"spacegroup": 205
},
{
"id": "jvasp-97465",
"created_at": "2022-09-04T14:35:51.571330Z",
"updated_at": "2022-09-04T14:35:51.571352Z",
"structure_string": "Hg8 C4 N8 Cl8\n1.0\n7.820753 -0.026848 0.000000\n-2.299422 7.976796 0.000000\n0.000000 0.000000 9.036940\nHg C N Cl\n8 4 8 8\ndirect\n0.500000 0.500000 0.500000 Hg\n0.769011 0.891842 0.180223 Hg\n0.230989 0.108158 0.819777 Hg\n0.000000 0.500000 0.000000 Hg\n0.269011 0.891842 0.319777 Hg\n0.730989 0.108158 0.680223 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.931383 0.137462 0.408862 C\n0.068617 0.862538 0.591138 C\n0.431383 0.137462 0.091138 C\n0.568617 0.862538 0.908862 C\n0.401960 0.233414 0.993443 N\n0.098040 0.766586 0.493443 N\n0.465063 0.038526 0.176844 N\n0.534937 0.961475 0.823156 N\n0.965063 0.038526 0.323156 N\n0.034937 0.961475 0.676844 N\n0.901959 0.233414 0.506557 N\n0.598040 0.766586 0.006557 N\n0.920217 0.196744 0.981141 Cl\n0.748152 0.511763 0.247826 Cl\n0.079783 0.803256 0.018859 Cl\n0.579783 0.803256 0.481141 Cl\n0.248152 0.511763 0.252174 Cl\n0.420217 0.196744 0.518859 Cl\n0.251848 0.488238 0.752174 Cl\n0.751848 0.488238 0.747826 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Hg",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Hg-N",
"density": 6.039541367937392,
"density_atomic": 0.04971524244355202,
"volume": 563.2075521263308,
"volume_molar": 12.113268414285006,
"formula_full": "Hg8 C4 N8 Cl8",
"formula_reduced": "Hg2C(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.1549691192857137,
"spacegroup": 14
}
]
}