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=314",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=312",
"results": [
{
"id": "jvasp-36078",
"created_at": "2022-09-04T14:37:29.713653Z",
"updated_at": "2022-09-04T14:37:29.713676Z",
"structure_string": "Hf6 Pb2\n1.0\n3.148926 -5.454101 0.000000\n3.148926 5.454101 0.000000\n0.000000 -0.000000 5.154199\nHf Pb\n6 2\ndirect\n0.163260 0.326519 0.250000 Hf\n0.673482 0.836741 0.250000 Hf\n0.163261 0.836741 0.250000 Hf\n0.836741 0.673482 0.750000 Hf\n0.326519 0.163260 0.750000 Hf\n0.836741 0.163261 0.750000 Hf\n0.333334 0.666668 0.750000 Pb\n0.666668 0.333334 0.250000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Pb"
],
"chemical_system": "Hf-Pb",
"density": 13.931509175945386,
"density_atomic": 0.04518696556250712,
"volume": 177.0422045475393,
"volume_molar": 13.327163453074922,
"formula_full": "Hf6 Pb2",
"formula_reduced": "Hf3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 4.166244955,
"spacegroup": 194
},
{
"id": "jvasp-40005",
"created_at": "2022-09-04T14:37:51.993761Z",
"updated_at": "2022-09-04T14:37:51.993787Z",
"structure_string": "Ho1 Ta1 Ru2\n1.0\n-0.000000 3.257975 3.257975\n3.257975 0.000000 3.257975\n3.257975 3.257975 0.000000\nHo Ta Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750002 0.750002 0.750002 Ta\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Ta",
"Ru"
],
"chemical_system": "Ho-Ru-Ta",
"density": 13.15742312942606,
"density_atomic": 0.057834469111913187,
"volume": 69.16290685161748,
"volume_molar": 10.412719010780222,
"formula_full": "Ho1 Ta1 Ru2",
"formula_reduced": "HoTaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.166198941666666,
"spacegroup": 225
},
{
"id": "jvasp-97668",
"created_at": "2022-09-04T14:36:04.979486Z",
"updated_at": "2022-09-04T14:36:04.979510Z",
"structure_string": "Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Li",
"H",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-H-Li-O",
"density": 1.51127347133743,
"density_atomic": 0.11585642638142672,
"volume": 586.9333460720421,
"volume_molar": 5.1979341570347515,
"formula_full": "Li2 H40 C16 Br2 O8",
"formula_reduced": "LiH20C8BrO4",
"formula_anonymous": "ABC4D8E20",
"energy_above_hull": 4.16607847367647,
"spacegroup": 15
},
{
"id": "jvasp-110304",
"created_at": "2022-09-04T14:38:18.256313Z",
"updated_at": "2022-09-04T14:38:18.256324Z",
"structure_string": "Mn4 Ni2 N4\n1.0\n2.839083 -0.000000 0.000000\n0.000000 2.839119 0.000000\n-0.000000 -0.000000 11.603429\nMn Ni N\n4 2 4\ndirect\n0.250022 0.250000 0.909848 Mn\n0.250022 0.250000 0.590153 Mn\n0.749977 0.750000 0.090152 Mn\n0.749977 0.750000 0.409848 Mn\n0.249852 0.250000 0.250000 Ni\n0.750147 0.750000 0.750000 Ni\n0.249974 0.250000 0.411040 N\n0.249974 0.250000 0.088960 N\n0.750025 0.750000 0.588960 N\n0.750025 0.750000 0.911040 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"N"
],
"chemical_system": "Mn-N-Ni",
"density": 6.9803431690331035,
"density_atomic": 0.10691828045550855,
"volume": 93.52937549497214,
"volume_molar": 5.63247064425617,
"formula_full": "Mn4 Ni2 N4",
"formula_reduced": "Mn2NiN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.165804676551724,
"spacegroup": 139
},
{
"id": "jvasp-20210",
"created_at": "2022-09-04T14:37:33.783110Z",
"updated_at": "2022-09-04T14:37:33.783129Z",
"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433193 -2.551502\n-0.003386 -0.004621 5.505137\nSi Ir\n2 6\ndirect\n0.249999 0.750000 0.500000 Si\n0.749999 0.250000 0.500000 Si\n0.249999 0.250000 0.500000 Ir\n0.749999 0.750000 0.500000 Ir\n0.183675 0.683675 -0.000000 Ir\n0.316324 0.183676 -0.000000 Ir\n0.683675 0.816323 -0.000000 Ir\n0.816323 0.316324 -0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 17.71789326777848,
"density_atomic": 0.07057595978816658,
"volume": 113.3530457681619,
"volume_molar": 8.532849964882416,
"formula_full": "Si2 Ir6",
"formula_reduced": "SiIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.165770475,
"spacegroup": 140
},
{
"id": "jvasp-20471",
"created_at": "2022-09-04T14:37:44.076957Z",
"updated_at": "2022-09-04T14:37:44.076982Z",
"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433194 -2.551502\n-0.003387 -0.004622 5.505137\nSi Ir\n2 6\ndirect\n0.249999 0.750000 0.500000 Si\n0.749999 0.250000 0.500000 Si\n0.249999 0.250000 0.500000 Ir\n0.749999 0.750000 0.500000 Ir\n0.183675 0.683675 -0.000000 Ir\n0.316324 0.183676 -0.000000 Ir\n0.683675 0.816323 -0.000000 Ir\n0.816323 0.316324 -0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 17.71789344926792,
"density_atomic": 0.07057596051109628,
"volume": 113.3530446070543,
"volume_molar": 8.532849877477998,
"formula_full": "Si2 Ir6",
"formula_reduced": "SiIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.165770475,
"spacegroup": 140
},
{
"id": "jvasp-102113",
"created_at": "2022-09-04T14:36:38.734635Z",
"updated_at": "2022-09-04T14:36:38.734671Z",
"structure_string": "Hf2 Fe1 Rh1\n1.0\n3.917314 0.000000 2.261663\n1.305771 3.693280 2.261663\n-0.000000 -0.000000 4.523325\nHf Fe Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.749999 0.750000 0.749999 Hf\n0.499999 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"Rh"
],
"chemical_system": "Fe-Hf-Rh",
"density": 13.086198444000118,
"density_atomic": 0.061122566200987286,
"volume": 65.44227850065938,
"volume_molar": 9.852565319652314,
"formula_full": "Hf2 Fe1 Rh1",
"formula_reduced": "Hf2FeRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.165708625000001,
"spacegroup": 225
},
{
"id": "jvasp-110430",
"created_at": "2022-09-04T14:38:37.677716Z",
"updated_at": "2022-09-04T14:38:37.677739Z",
"structure_string": "Hf3 Pb1\n1.0\n4.454366 0.000000 0.000000\n0.000000 4.454366 0.000000\n0.000000 0.000000 4.454366\nHf Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Pb"
],
"chemical_system": "Hf-Pb",
"density": 13.953632559607628,
"density_atomic": 0.04525872294091074,
"volume": 88.38075270533712,
"volume_molar": 13.306033331657273,
"formula_full": "Hf3 Pb1",
"formula_reduced": "Hf3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 4.165292455,
"spacegroup": 221
},
{
"id": "jvasp-92537",
"created_at": "2022-09-04T14:36:11.709030Z",
"updated_at": "2022-09-04T14:36:11.709063Z",
"structure_string": "U1 Si3 Ir1\n1.0\n4.199321 -0.000000 0.000000\n0.000000 4.199321 0.000000\n-2.099660 -2.099660 4.899331\nU Si Ir\n1 3 1\ndirect\n0.997400 0.997400 0.994800 U\n0.413001 0.413001 0.826001 Si\n0.765424 0.265424 0.530850 Si\n0.265424 0.765424 0.530850 Si\n0.652750 0.652750 0.305499 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-U",
"density": 9.888754196265458,
"density_atomic": 0.05787287734136266,
"volume": 86.39625727450087,
"volume_molar": 10.405808448884363,
"formula_full": "U1 Si3 Ir1",
"formula_reduced": "USi3Ir",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.16516858,
"spacegroup": 107
},
{
"id": "jvasp-38613",
"created_at": "2022-09-04T14:37:59.969275Z",
"updated_at": "2022-09-04T14:37:59.969306Z",
"structure_string": "H8 C2 N4 O2\n1.0\n5.504451 -0.000000 0.000000\n-0.000000 5.504451 -0.000000\n0.000000 0.000000 4.680601\nH C N O\n8 2 4 2\ndirect\n0.736644 0.763356 0.780824 H\n0.263356 0.236644 0.780824 H\n0.852605 0.647395 0.455665 H\n0.147395 0.352605 0.455665 H\n0.236644 0.736644 0.219175 H\n0.763356 0.263356 0.219175 H\n0.352605 0.852605 0.544335 H\n0.647395 0.147395 0.544335 H\n0.500000 0.000000 0.177399 C\n0.000000 0.500000 0.822601 C\n0.851607 0.648393 0.674168 N\n0.148393 0.351607 0.674168 N\n0.351607 0.851607 0.325832 N\n0.648393 0.148393 0.325832 N\n0.500000 0.000000 0.904331 O\n0.000000 0.500000 0.095668 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.406372946314787,
"density_atomic": 0.11282110305329333,
"volume": 141.81743988482435,
"volume_molar": 5.337778657557815,
"formula_full": "H8 C2 N4 O2",
"formula_reduced": "H4CN2O",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.1650225,
"spacegroup": 113
},
{
"id": "jvasp-23967",
"created_at": "2022-09-04T14:37:37.655541Z",
"updated_at": "2022-09-04T14:37:37.655586Z",
"structure_string": "H8 C2 N4 O2\n1.0\n5.504776 0.000000 -0.000000\n0.000000 5.504776 0.000000\n0.000000 0.000000 4.681425\nH C N O\n8 2 4 2\ndirect\n0.852642 0.647359 0.955935 H\n0.352642 0.852642 0.044064 H\n0.647359 0.147358 0.044064 H\n0.147358 0.352642 0.955935 H\n0.263344 0.236656 0.281001 H\n0.236656 0.736657 0.718998 H\n0.763344 0.263344 0.718998 H\n0.736657 0.763344 0.281001 H\n0.500000 0.000000 0.677172 C\n0.000000 0.500000 0.322827 C\n0.351623 0.851623 0.825602 N\n0.148378 0.351623 0.174397 N\n0.648378 0.148378 0.825602 N\n0.851623 0.648378 0.174397 N\n0.000000 0.500000 0.595846 O\n0.500000 0.000000 0.404153 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.405959374510088,
"density_atomic": 0.11278792577459201,
"volume": 141.85915637792814,
"volume_molar": 5.339348798767094,
"formula_full": "H8 C2 N4 O2",
"formula_reduced": "H4CN2O",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.1650125000000005,
"spacegroup": 113
},
{
"id": "jvasp-109675",
"created_at": "2022-09-04T14:38:20.553321Z",
"updated_at": "2022-09-04T14:38:20.553347Z",
"structure_string": "Ti3 Nb3 Sn2\n1.0\n5.277031 -0.014960 -0.022170\n-0.022200 5.277005 -0.022170\n-0.014939 -0.014960 5.277056\nTi Nb Sn\n3 3 2\ndirect\n-0.000000 0.737558 0.262442 Ti\n0.737558 0.262442 -0.000000 Ti\n0.262442 -0.000000 0.737558 Ti\n0.500000 0.744789 0.255211 Nb\n0.744789 0.255211 0.500000 Nb\n0.255211 0.500000 0.744789 Nb\n0.241697 0.241697 0.241697 Sn\n0.758303 0.758304 0.758303 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Sn"
],
"chemical_system": "Nb-Sn-Ti",
"density": 7.455361483836495,
"density_atomic": 0.05444232789941975,
"volume": 146.94448802372509,
"volume_molar": 11.061504884812583,
"formula_full": "Ti3 Nb3 Sn2",
"formula_reduced": "Ti3Nb3Sn2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 4.164810825,
"spacegroup": 155
}
]
}