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=4143",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4141",
"results": [
{
"id": "jvasp-120208",
"created_at": "2022-09-04T14:38:45.355531Z",
"updated_at": "2022-09-04T14:38:45.355556Z",
"structure_string": "H3 C1\n1.0\n3.401876 -0.369917 0.016755\n-0.315389 -1.622568 -0.037533\n1.036712 1.406580 -4.414265\nH C\n3 1\ndirect\n0.629754 0.236492 0.355312 H\n0.715003 0.867156 -0.073657 H\n0.889354 0.718056 0.727698 H\n0.471832 0.039302 0.165443 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 0.9948163714553739,
"density_atomic": 0.15939116702966355,
"volume": 25.095493524152303,
"volume_molar": 3.7782148611028408,
"formula_full": "H3 C1",
"formula_reduced": "H3C",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6450400000000007,
"spacegroup": 1
},
{
"id": "jvasp-104776",
"created_at": "2022-09-04T14:36:45.496889Z",
"updated_at": "2022-09-04T14:36:45.496920Z",
"structure_string": "Zr2 Ge2 N4\n1.0\n3.927768 0.000000 0.000000\n0.000000 3.927768 0.000000\n-0.000000 -0.000000 7.807006\nZr Ge N\n2 2 4\ndirect\n0.750000 0.750000 0.611710 Zr\n0.250000 0.250000 0.388290 Zr\n0.750000 0.750000 0.115213 Ge\n0.250000 0.250000 0.884788 Ge\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.879505 N\n0.250000 0.250000 0.120496 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Ge",
"N"
],
"chemical_system": "Ge-N-Zr",
"density": 5.290865846864046,
"density_atomic": 0.0664222860703821,
"volume": 120.44150349662874,
"volume_molar": 9.06644609253413,
"formula_full": "Zr2 Ge2 N4",
"formula_reduced": "ZrGeN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6450842375,
"spacegroup": 129
},
{
"id": "jvasp-97355",
"created_at": "2022-09-04T14:36:17.401509Z",
"updated_at": "2022-09-04T14:36:17.401534Z",
"structure_string": "Sc4 U12 S24\n1.0\n3.768893 0.000000 0.000000\n0.000000 13.373972 0.000000\n0.000000 0.000000 16.437898\nSc U S\n4 12 24\ndirect\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.948764 0.784251 U\n0.500000 0.678733 0.849796 U\n0.000000 0.178733 0.650205 U\n0.500000 0.321267 0.150205 U\n0.500000 0.251124 0.900967 U\n0.500000 0.748876 0.099033 U\n0.000000 0.751124 0.599033 U\n0.000000 0.248876 0.400967 U\n0.500000 0.551236 0.284251 U\n0.500000 0.448764 0.715749 U\n0.000000 0.821267 0.349796 U\n0.000000 0.051236 0.215749 U\n0.000000 0.626596 0.392466 S\n0.500000 0.873404 0.892466 S\n0.500000 0.126596 0.107534 S\n0.000000 0.373404 0.607534 S\n0.500000 0.813813 0.712882 S\n0.000000 0.092469 0.921727 S\n0.500000 0.186187 0.287118 S\n0.000000 0.313813 0.787118 S\n0.000000 0.686187 0.212882 S\n0.500000 0.525200 0.106242 S\n0.500000 0.474800 0.893759 S\n0.000000 0.025200 0.393759 S\n0.000000 0.974800 0.606242 S\n0.500000 0.407531 0.421727 S\n0.500000 0.810877 0.476540 S\n0.000000 0.310877 0.023460 S\n0.000000 0.689123 0.976540 S\n0.500000 0.899910 0.245381 S\n0.500000 0.100090 0.754619 S\n0.000000 0.399910 0.254619 S\n0.000000 0.600090 0.745382 S\n0.000000 0.907530 0.078273 S\n0.500000 0.189123 0.523460 S\n0.500000 0.592469 0.578273 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sc",
"U",
"S"
],
"chemical_system": "S-Sc-U",
"density": 7.627226390852902,
"density_atomic": 0.048276913070191003,
"volume": 828.5533903512639,
"volume_molar": 12.474162859676344,
"formula_full": "Sc4 U12 S24",
"formula_reduced": "Sc(US2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.645356325,
"spacegroup": 58
},
{
"id": "jvasp-22662",
"created_at": "2022-09-04T14:37:07.770731Z",
"updated_at": "2022-09-04T14:37:07.770755Z",
"structure_string": "Na1 N3\n1.0\n3.441348 -0.009587 0.850456\n1.528117 3.083476 0.850456\n-0.112713 -0.069719 5.225806\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.607843 0.607842 0.276917 N\n0.392159 0.392158 0.723085 N\n0.500001 0.500000 0.500001 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.929800629382694,
"density_atomic": 0.07150625689057118,
"volume": 55.93916076632786,
"volume_molar": 8.421837503277397,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6454721875,
"spacegroup": 12
},
{
"id": "jvasp-79549",
"created_at": "2022-09-04T14:38:03.495696Z",
"updated_at": "2022-09-04T14:38:03.495734Z",
"structure_string": "Na1 N3\n1.0\n2.548963 1.789685 -1.739835\n2.473674 -1.787409 -1.876021\n0.607973 -0.292739 -6.704586\nNa N\n1 3\ndirect\n0.874997 0.125002 -0.000003 Na\n0.875005 0.124988 0.500002 N\n0.692003 0.041224 0.723940 N\n0.057995 0.208780 0.276061 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.9223382286185597,
"density_atomic": 0.07122974731857915,
"volume": 56.156313205910585,
"volume_molar": 8.454530567216011,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.645524687500001,
"spacegroup": 12
},
{
"id": "jvasp-97622",
"created_at": "2022-09-04T14:36:18.741129Z",
"updated_at": "2022-09-04T14:36:18.741152Z",
"structure_string": "Co4 N8 O24\n1.0\n7.209187 0.031258 0.013984\n0.014017 7.209241 0.013984\n0.031183 0.031258 7.209133\nCo N O\n4 8 24\ndirect\n0.500000 0.000000 0.499999 Co\n0.500000 0.500000 -0.000001 Co\n-0.000000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.147652 0.648248 0.829970 N\n0.648248 0.829971 0.147651 N\n0.170029 0.852348 0.351752 N\n0.829971 0.147652 0.648247 N\n0.351752 0.170029 0.852348 N\n0.663996 0.663996 0.663995 N\n0.336004 0.336004 0.336003 N\n0.852349 0.351753 0.170028 N\n0.199666 0.946060 0.205935 O\n0.618436 0.982286 0.227272 O\n0.017715 0.772727 0.381563 O\n0.772727 0.381564 0.017714 O\n0.381564 0.017715 0.772726 O\n0.053940 0.794064 0.800334 O\n0.794065 0.800335 0.053939 O\n0.800334 0.053940 0.794063 O\n0.946061 0.205936 0.199665 O\n0.205936 0.199666 0.946060 O\n0.834659 0.476027 0.298759 O\n0.787268 0.536638 0.668984 O\n0.298760 0.834658 0.476026 O\n0.165342 0.523974 0.701239 O\n0.523974 0.701240 0.165341 O\n0.701240 0.165342 0.523973 O\n0.227273 0.618436 0.982284 O\n0.536638 0.668985 0.787267 O\n0.668985 0.787268 0.536636 O\n0.212732 0.463363 0.331015 O\n0.463363 0.331015 0.212731 O\n0.331015 0.212732 0.463362 O\n0.476027 0.298761 0.834657 O\n0.982286 0.227273 0.618435 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Co",
"N",
"O"
],
"chemical_system": "Co-N-O",
"density": 3.2432239303896613,
"density_atomic": 0.09608477180873135,
"volume": 374.66915227381156,
"volume_molar": 6.267528815063242,
"formula_full": "Co4 N8 O24",
"formula_reduced": "Co(NO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.6456476,
"spacegroup": 148
},
{
"id": "jvasp-120924",
"created_at": "2022-09-04T14:38:53.366210Z",
"updated_at": "2022-09-04T14:38:53.366229Z",
"structure_string": "Cd1 C1 N1\n1.0\n3.907731 0.000000 -0.000000\n-1.953865 3.384194 0.000000\n-0.000000 -0.000000 3.243200\nCd C N\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"C",
"N"
],
"chemical_system": "C-Cd-N",
"density": 5.3594553115646315,
"density_atomic": 0.06994676156263936,
"volume": 42.88976262772956,
"volume_molar": 8.609606256905831,
"formula_full": "Cd1 C1 N1",
"formula_reduced": "CdCN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.645877666666666,
"spacegroup": 187
},
{
"id": "jvasp-106708",
"created_at": "2022-09-04T14:36:54.930804Z",
"updated_at": "2022-09-04T14:36:54.930825Z",
"structure_string": "U2 Pd3 Rh3\n1.0\n3.937745 -0.000000 0.000000\n0.000000 4.067415 0.000000\n-0.000000 -0.000000 8.412979\nU Pd Rh\n2 3 3\ndirect\n0.000000 0.000000 0.756903 U\n0.000000 0.000000 0.243097 U\n0.499999 0.000000 0.500000 Pd\n-0.000000 0.499999 -0.000000 Pd\n-0.000000 0.499999 0.500000 Pd\n0.499999 0.499999 0.749744 Rh\n0.499999 0.499999 0.250256 Rh\n0.499999 0.000000 -0.000000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh-U",
"density": 13.605540268549337,
"density_atomic": 0.05937096494708036,
"volume": 134.7459992797946,
"volume_molar": 10.14324218137227,
"formula_full": "U2 Pd3 Rh3",
"formula_reduced": "U2(PdRh)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.6459947625,
"spacegroup": 47
},
{
"id": "jvasp-79212",
"created_at": "2022-09-04T14:37:12.727798Z",
"updated_at": "2022-09-04T14:37:12.727827Z",
"structure_string": "Na1 N3\n1.0\n-3.386803 -0.000000 1.190025\n-1.902472 3.044207 0.000000\n-3.435334 -0.030329 -4.362516\nNa N\n1 3\ndirect\n0.002751 0.002752 0.991744 Na\n0.426151 0.426153 0.721542 N\n0.502747 0.502749 0.491753 N\n0.579344 0.579346 0.261964 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.8776808651826813,
"density_atomic": 0.06957502669444762,
"volume": 57.49189314100855,
"volume_molar": 8.655606826350802,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6460071875,
"spacegroup": 166
},
{
"id": "jvasp-1906",
"created_at": "2022-09-04T14:38:08.784233Z",
"updated_at": "2022-09-04T14:38:08.784253Z",
"structure_string": "Na1 N3\n1.0\n3.435167 0.030401 4.362105\n1.532824 3.074369 4.362105\n0.048644 0.030401 5.552113\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.576602 0.576602 0.576602 N\n0.499999 0.500000 0.499999 N\n0.423397 0.423397 0.423397 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.8781084361825007,
"density_atomic": 0.0695908697827369,
"volume": 57.47880451110933,
"volume_molar": 8.653636287060584,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.646027187500001,
"spacegroup": 166
},
{
"id": "jvasp-70976",
"created_at": "2022-09-04T14:36:18.500994Z",
"updated_at": "2022-09-04T14:36:18.501017Z",
"structure_string": "Mg1 Ta2 Be1\n1.0\n2.827273 0.000000 -0.000000\n-0.000000 2.827273 0.000000\n-0.000000 0.000000 8.136621\nMg Ta Be\n1 2 1\ndirect\n0.499999 0.499999 0.711269 Mg\n0.000000 0.000000 0.001559 Ta\n0.499999 0.499999 0.291602 Ta\n0.000000 0.000000 0.495570 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ta",
"Be"
],
"chemical_system": "Be-Mg-Ta",
"density": 10.090220958776491,
"density_atomic": 0.0615007500784255,
"volume": 65.0398571545748,
"volume_molar": 9.791979369878563,
"formula_full": "Mg1 Ta2 Be1",
"formula_reduced": "MgTa2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6460708875,
"spacegroup": 99
},
{
"id": "jvasp-72208",
"created_at": "2022-09-04T14:35:51.855316Z",
"updated_at": "2022-09-04T14:35:51.855332Z",
"structure_string": "Be1 Nb2 Sb1\n1.0\n-1.993289 1.993289 4.364113\n1.993289 -1.993289 4.364113\n1.993289 1.993289 -4.364113\nBe Nb Sb\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Nb\n0.250000 0.750000 0.500000 Nb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Sb"
],
"chemical_system": "Be-Nb-Sb",
"density": 7.5795397163351135,
"density_atomic": 0.057671795500058215,
"volume": 69.35799319783554,
"volume_molar": 10.442089946712203,
"formula_full": "Be1 Nb2 Sb1",
"formula_reduced": "BeNb2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.64608525,
"spacegroup": 119
}
]
}