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=created_at&page=1067",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1065",
"results": [
{
"id": "jvasp-93352",
"created_at": "2022-09-04T14:36:16.219956Z",
"updated_at": "2022-09-04T14:36:16.219975Z",
"structure_string": "Ta2 V4\n1.0\n-3.558706 -3.558706 -0.000000\n-3.558706 -0.000000 -3.558706\n-0.000000 -3.558706 -3.558706\nTa V\n2 4\ndirect\n0.750001 0.750001 0.750001 Ta\n0.000000 0.000000 0.000000 Ta\n0.875001 0.375000 0.375000 V\n0.375000 0.875001 0.375000 V\n0.375000 0.375000 0.875001 V\n0.375000 0.375000 0.375000 V\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 10.420764722212793,
"density_atomic": 0.06656484469343797,
"volume": 90.1376699312195,
"volume_molar": 9.04702893507039,
"formula_full": "Ta2 V4",
"formula_reduced": "TaV2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.5317792,
"spacegroup": 227
},
{
"id": "jvasp-98385",
"created_at": "2022-09-04T14:36:16.222867Z",
"updated_at": "2022-09-04T14:36:16.222886Z",
"structure_string": "La2 Nb2 O8\n1.0\n-0.106052 0.000000 5.249102\n5.585903 -0.000000 -0.294635\n-2.739926 5.786858 -2.477234\nLa Nb O\n2 2 8\ndirect\n0.379400 0.129399 0.758800 La\n0.620601 0.870600 0.241201 La\n0.854116 0.604114 0.708230 Nb\n0.145886 0.395885 0.291771 Nb\n0.803437 0.142751 0.087553 O\n0.284116 0.444801 0.087553 O\n0.196564 0.857248 0.912447 O\n0.715885 0.555198 0.912447 O\n0.581951 0.771371 0.564652 O\n0.982702 0.293280 0.564652 O\n0.418050 0.228628 0.435348 O\n0.017299 0.706719 0.435348 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Nb",
"O"
],
"chemical_system": "La-Nb-O",
"density": 5.796061342646216,
"density_atomic": 0.07079834117078901,
"volume": 169.49549666781078,
"volume_molar": 8.50604782599723,
"formula_full": "La2 Nb2 O8",
"formula_reduced": "LaNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.591268066666667,
"spacegroup": 15
},
{
"id": "jvasp-71094",
"created_at": "2022-09-04T14:36:16.224585Z",
"updated_at": "2022-09-04T14:36:16.224614Z",
"structure_string": "K1 Be2 Rh1\n1.0\n4.589941 0.000000 -0.000000\n0.000000 4.589941 0.000000\n-0.000000 0.000000 2.801832\nK Be Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Rh"
],
"chemical_system": "Be-K-Rh",
"density": 4.501831367080307,
"density_atomic": 0.06776472716317536,
"volume": 59.02775924070533,
"volume_molar": 8.886836872372955,
"formula_full": "K1 Be2 Rh1",
"formula_reduced": "KBe2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5946908,
"spacegroup": 123
},
{
"id": "jvasp-68958",
"created_at": "2022-09-04T14:36:16.227137Z",
"updated_at": "2022-09-04T14:36:16.227152Z",
"structure_string": "Ba1 Li1 Rh2\n1.0\n-2.146088 2.146088 4.224437\n2.146088 -2.146088 4.224437\n2.146088 2.146088 -4.224437\nBa Li Rh\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ba\n0.750001 0.250000 0.500001 Li\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Rh"
],
"chemical_system": "Ba-Li-Rh",
"density": 7.469495600257363,
"density_atomic": 0.05139680349463461,
"volume": 77.82585157105278,
"volume_molar": 11.716955823193674,
"formula_full": "Ba1 Li1 Rh2",
"formula_reduced": "BaLiRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6013229925,
"spacegroup": 139
},
{
"id": "jvasp-71015",
"created_at": "2022-09-04T14:36:16.229171Z",
"updated_at": "2022-09-04T14:36:16.229198Z",
"structure_string": "Be2 Pd1 W1\n1.0\n4.224030 0.000000 0.000000\n0.000000 4.224030 0.000000\n0.000000 0.000000 2.660214\nBe Pd W\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.499999 Pd\n0.000000 0.000000 0.499999 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pd",
"W"
],
"chemical_system": "Be-Pd-W",
"density": 10.78524544253918,
"density_atomic": 0.08427318903344039,
"volume": 47.46468059269434,
"volume_molar": 7.145974691441139,
"formula_full": "Be2 Pd1 W1",
"formula_reduced": "Be2PdW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2922469749999994,
"spacegroup": 123
},
{
"id": "jvasp-85420",
"created_at": "2022-09-04T14:36:16.237729Z",
"updated_at": "2022-09-04T14:36:16.237750Z",
"structure_string": "Ce2 Ni4 As4\n1.0\n4.250068 -0.000146 -0.000000\n-0.000146 4.250346 0.000030\n-0.000002 0.000079 9.248704\nCe Ni As\n2 4 4\ndirect\n0.250005 0.250004 0.255141 Ce\n0.749995 0.749997 0.744860 Ce\n0.250001 0.249997 0.883175 Ni\n0.249998 0.750008 0.499997 Ni\n0.749999 0.750004 0.116826 Ni\n0.750001 0.249991 0.500000 Ni\n0.750007 0.749997 0.370834 As\n0.250004 0.750003 0.000002 As\n0.749996 0.249997 -0.000000 As\n0.249993 0.250003 0.629163 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"As"
],
"chemical_system": "As-Ce-Ni",
"density": 8.097323781303965,
"density_atomic": 0.05985479617715586,
"volume": 167.07098910507347,
"volume_molar": 10.06125013303179,
"formula_full": "Ce2 Ni4 As4",
"formula_reduced": "Ce(NiAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7303487599999996,
"spacegroup": 129
},
{
"id": "jvasp-68324",
"created_at": "2022-09-04T14:36:16.238034Z",
"updated_at": "2022-09-04T14:36:16.238042Z",
"structure_string": "Zr2 Be1 Se1\n1.0\n-1.942636 1.942636 4.782649\n1.942636 -1.942636 4.782649\n1.942636 1.942636 -4.782649\nZr Be Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750001 0.500001 Zr\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Se"
],
"chemical_system": "Be-Se-Zr",
"density": 6.219805909148208,
"density_atomic": 0.055404957456488164,
"volume": 72.19570564856706,
"volume_molar": 10.869317542079948,
"formula_full": "Zr2 Be1 Se1",
"formula_reduced": "Zr2BeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.893322116666667,
"spacegroup": 119
},
{
"id": "jvasp-68169",
"created_at": "2022-09-04T14:36:16.238157Z",
"updated_at": "2022-09-04T14:36:16.238168Z",
"structure_string": "Ta1 Be1 V2\n1.0\n2.618325 -0.000000 0.000000\n0.000000 2.618325 0.000000\n-0.000000 0.000000 8.004677\nTa Be V\n1 1 2\ndirect\n0.499999 0.499999 0.718634 Ta\n0.000000 0.000000 0.487707 Be\n0.000000 0.000000 0.013954 V\n0.499999 0.499999 0.279706 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Be",
"V"
],
"chemical_system": "Be-Ta-V",
"density": 8.830952598965368,
"density_atomic": 0.07289018865109849,
"volume": 54.8770702068929,
"volume_molar": 8.261936032057784,
"formula_full": "Ta1 Be1 V2",
"formula_reduced": "TaBeV2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.346648425,
"spacegroup": 99
},
{
"id": "jvasp-70627",
"created_at": "2022-09-04T14:36:16.238502Z",
"updated_at": "2022-09-04T14:36:16.238524Z",
"structure_string": "Na1 Be1 Hg1\n1.0\n2.130954 -3.690921 0.000000\n2.130954 3.690921 -0.000000\n-0.000000 0.000000 3.877576\nNa Be Hg\n1 1 1\ndirect\n0.333332 0.666666 0.666767 Na\n0.000000 0.000000 0.166567 Be\n0.666666 0.333332 0.166668 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Na",
"density": 6.332054448433576,
"density_atomic": 0.04918380407203867,
"volume": 60.9956886540527,
"volume_molar": 12.244154094261344,
"formula_full": "Na1 Be1 Hg1",
"formula_reduced": "NaBeHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0981084499999997,
"spacegroup": 187
},
{
"id": "jvasp-97944",
"created_at": "2022-09-04T14:36:16.242396Z",
"updated_at": "2022-09-04T14:36:16.242425Z",
"structure_string": "Y1 H16 C4 N9 O16\n1.0\n3.163144 10.546568 -0.524852\n-3.163144 10.546568 0.524852\n0.414501 0.000000 6.230291\nY H C N O\n1 16 4 9 16\ndirect\n-0.017758 0.017758 0.979792 Y\n0.700718 0.937441 0.015793 H\n0.062559 0.299282 0.015793 H\n0.896147 0.031604 0.509226 H\n0.968396 0.103853 0.509226 H\n0.547285 0.330079 0.750888 H\n0.576408 0.648326 0.280645 H\n0.351674 0.423592 0.280645 H\n0.669921 0.452715 0.750888 H\n0.297426 0.339177 0.179247 H\n0.169614 0.614601 0.969189 H\n0.385399 0.830386 0.969189 H\n0.033323 0.745049 0.735112 H\n0.254951 -0.033322 0.735112 H\n0.713069 0.474594 -0.016927 H\n0.525406 0.286931 -0.016927 H\n0.660824 0.702574 0.179247 H\n0.122414 0.137699 0.309740 C\n0.862301 0.877586 0.309740 C\n0.291778 0.141948 0.465673 C\n0.858052 0.708222 0.465673 C\n0.408346 0.117136 0.627760 N\n0.415847 0.584153 0.388577 N\n0.882865 0.591655 0.627760 N\n0.922350 0.769544 0.500555 N\n0.768007 0.870394 0.171237 N\n0.763364 0.763987 0.270796 N\n0.236013 0.236637 0.270796 N\n0.129606 0.231994 0.171237 N\n0.230457 0.077650 0.500555 N\n0.085966 0.743698 0.869863 O\n0.256302 0.914034 0.869863 O\n0.920075 0.079925 0.608962 O\n0.336707 0.663293 0.193597 O\n0.768907 0.368557 0.884873 O\n0.631443 0.231093 0.884873 O\n0.509517 0.595080 0.484070 O\n0.989391 0.526261 0.803120 O\n0.473739 0.010610 0.803120 O\n0.797774 0.562585 0.584750 O\n0.437416 0.202227 0.584750 O\n0.883452 0.972636 0.266540 O\n0.027364 0.116548 0.266540 O\n0.331334 0.396868 0.143485 O\n0.404920 0.490483 0.484070 O\n0.603132 0.668666 0.143485 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Y",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Y",
"density": 2.1143118839855215,
"density_atomic": 0.10945142396992981,
"volume": 420.2777664421966,
"volume_molar": 5.5021127561158965,
"formula_full": "Y1 H16 C4 N9 O16",
"formula_reduced": "YH16C4N9O16",
"formula_anonymous": "AB4C9D16E16",
"energy_above_hull": 4.318576319565218,
"spacegroup": 8
},
{
"id": "jvasp-65315",
"created_at": "2022-09-04T14:36:16.244744Z",
"updated_at": "2022-09-04T14:36:16.244771Z",
"structure_string": "Be1 V1 Ru4\n1.0\n-0.000000 3.526178 3.526178\n3.526178 0.000000 3.526178\n3.526178 3.526178 0.000000\nBe V Ru\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 V\n0.123874 0.625376 0.625376 Ru\n0.625376 0.625376 0.625376 Ru\n0.625376 0.123874 0.625376 Ru\n0.625376 0.625376 0.123874 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"V",
"Ru"
],
"chemical_system": "Be-Ru-V",
"density": 8.791096640749569,
"density_atomic": 0.0684240159338362,
"volume": 87.68850992028597,
"volume_molar": 8.801209162910308,
"formula_full": "Be1 V1 Ru4",
"formula_reduced": "BeVRu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.552473716666666,
"spacegroup": 216
},
{
"id": "jvasp-70222",
"created_at": "2022-09-04T14:36:16.251718Z",
"updated_at": "2022-09-04T14:36:16.251739Z",
"structure_string": "Be2 Co1 Rh1\n1.0\n2.724938 0.000000 0.000000\n0.000000 2.724938 0.000000\n0.000000 0.000000 5.370054\nBe Co Rh\n2 1 1\ndirect\n0.000000 0.000000 0.025546 Be\n0.500000 0.500000 0.239372 Be\n0.000000 0.000000 0.455832 Co\n0.500000 0.500000 0.779249 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Rh"
],
"chemical_system": "Be-Co-Rh",
"density": 7.490299258377566,
"density_atomic": 0.10031551055530873,
"volume": 39.87419271314588,
"volume_molar": 6.00320003024827,
"formula_full": "Be2 Co1 Rh1",
"formula_reduced": "Be2CoRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.394011525,
"spacegroup": 99
}
]
}