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=nelements&page=1561",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1559",
"results": [
{
"id": "jvasp-7918",
"created_at": "2022-09-04T14:37:06.248703Z",
"updated_at": "2022-09-04T14:37:06.248733Z",
"structure_string": "U3 Sn3 Ru3\n1.0\n3.670692 -6.357824 0.000000\n3.670692 6.357824 0.000000\n0.000000 0.000000 4.007525\nU Sn Ru\n3 3 3\ndirect\n0.414243 0.000000 0.500001 U\n0.585757 0.585757 0.500001 U\n0.000000 0.414243 0.500001 U\n0.253661 0.253661 0.000000 Sn\n0.746338 0.000000 0.000000 Sn\n0.000000 0.746338 0.000000 Sn\n0.333333 0.666667 0.000000 Ru\n0.000000 0.000000 0.500001 Ru\n0.666667 0.333333 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"U",
"Sn",
"Ru"
],
"chemical_system": "Ru-Sn-U",
"density": 12.192476025547794,
"density_atomic": 0.0481149265077529,
"volume": 187.05214063976183,
"volume_molar": 12.516159115466246,
"formula_full": "U3 Sn3 Ru3",
"formula_reduced": "USnRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.133166066666666,
"spacegroup": 189
},
{
"id": "jvasp-55527",
"created_at": "2022-09-04T14:37:06.262755Z",
"updated_at": "2022-09-04T14:37:06.262783Z",
"structure_string": "P4 Pb4 Se12\n1.0\n0.000000 7.046857 -0.001882\n7.700721 0.000000 0.000000\n0.000000 -6.723276 -9.809311\nP Pb Se\n4 4 12\ndirect\n0.879020 0.141133 0.715401 P\n0.879020 0.858867 0.215401 P\n0.126641 0.358849 0.842798 P\n0.126641 0.641151 0.342798 P\n0.785715 0.639957 0.526198 Pb\n0.219946 0.139972 0.532016 Pb\n0.219946 0.860028 0.032016 Pb\n0.785715 0.360043 0.026198 Pb\n0.112478 0.059392 0.223432 Se\n0.380192 0.247866 0.046810 Se\n0.726449 0.956052 0.324392 Se\n0.112478 0.940608 0.723432 Se\n0.625470 0.747884 0.011388 Se\n0.893178 0.559377 0.834757 Se\n0.726449 0.043948 0.824392 Se\n0.893178 0.440623 0.334757 Se\n0.380191 0.752134 0.546810 Se\n0.279211 0.543961 0.233807 Se\n0.625469 0.252116 0.511388 Se\n0.279211 0.456039 0.733807 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"P",
"Pb",
"Se"
],
"chemical_system": "P-Pb-Se",
"density": 5.926619003535259,
"density_atomic": 0.037565152344288026,
"volume": 532.4083293127148,
"volume_molar": 16.031189504588014,
"formula_full": "P4 Pb4 Se12",
"formula_reduced": "PPbSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5112732839999998,
"spacegroup": 14
},
{
"id": "jvasp-8494",
"created_at": "2022-09-04T14:37:05.705120Z",
"updated_at": "2022-09-04T14:37:05.705140Z",
"structure_string": "U1 Ni1 Sn1\n1.0\n3.910943 -0.000000 2.257984\n1.303647 3.687272 2.257984\n-0.000000 0.000000 4.515967\nU Ni Sn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"U",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-U",
"density": 10.592828630786373,
"density_atomic": 0.04606635320435134,
"volume": 65.12345326516156,
"volume_molar": 13.07275341133615,
"formula_full": "U1 Ni1 Sn1",
"formula_reduced": "UNiSn",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1296267,
"spacegroup": 216
},
{
"id": "jvasp-9690",
"created_at": "2022-09-04T14:37:05.705046Z",
"updated_at": "2022-09-04T14:37:05.705070Z",
"structure_string": "Nb2 P2 O10\n1.0\n6.504295 0.000000 0.000000\n0.000000 6.504295 -0.000000\n0.000000 -0.000000 4.117603\nNb P O\n2 2 10\ndirect\n0.000000 0.500000 0.220804 Nb\n0.500000 0.000000 0.779195 Nb\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.307078 0.715781 O\n0.500000 0.692923 0.715781 O\n0.500000 0.000000 0.217269 O\n0.000000 0.500000 0.782730 O\n0.192923 0.000000 0.715781 O\n0.807078 0.000000 0.715781 O\n0.692923 0.500000 0.284218 O\n0.000000 0.807078 0.284218 O\n0.000000 0.192923 0.284218 O\n0.307078 0.500000 0.284218 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"P",
"O"
],
"chemical_system": "Nb-O-P",
"density": 3.8868940060825783,
"density_atomic": 0.08036798937638179,
"volume": 174.1987090710305,
"volume_molar": 7.493208187400246,
"formula_full": "Nb2 P2 O10",
"formula_reduced": "NbPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.9818074857142856,
"spacegroup": 129
},
{
"id": "jvasp-7970",
"created_at": "2022-09-04T14:37:05.710695Z",
"updated_at": "2022-09-04T14:37:05.710716Z",
"structure_string": "Mg2 Mn2 Ge2\n1.0\n3.873209 -0.000000 0.000000\n0.000000 3.873209 0.000000\n-0.000000 0.000000 6.477208\nMg Mn Ge\n2 2 2\ndirect\n0.500000 0.000000 0.169230 Mg\n0.000000 0.500000 0.830770 Mg\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.259701 Ge\n0.500000 0.000000 0.740300 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mg-Mn",
"density": 5.191091455972764,
"density_atomic": 0.0617478075779386,
"volume": 97.16944188547504,
"volume_molar": 9.752800943416176,
"formula_full": "Mg2 Mn2 Ge2",
"formula_reduced": "MgMnGe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.17532408045977,
"spacegroup": 129
},
{
"id": "jvasp-52327",
"created_at": "2022-09-04T14:37:05.720104Z",
"updated_at": "2022-09-04T14:37:05.720126Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n-5.362621 4.957156 5.145889\n5.362621 -4.957156 5.145889\n5.362621 4.957156 -5.145889\nBa Ca I\n2 2 8\ndirect\n0.349702 0.250000 0.099702 Ba\n0.650299 0.750000 0.900299 Ba\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.697609 0.071514 0.269123 I\n0.761972 0.561270 0.200701 I\n0.860570 0.061270 0.799300 I\n0.697609 0.428486 0.626095 I\n0.302391 0.571514 0.373905 I\n0.238029 0.438730 0.799299 I\n0.139431 0.938730 0.200701 I\n0.302391 0.928486 0.730877 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.157708854426731,
"density_atomic": 0.02193063212934624,
"volume": 547.1798500482952,
"volume_molar": 27.45995065022105,
"formula_full": "Ba2 Ca2 I8",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0065266666666666,
"spacegroup": 74
},
{
"id": "jvasp-50126",
"created_at": "2022-09-04T14:37:05.747879Z",
"updated_at": "2022-09-04T14:37:05.747900Z",
"structure_string": "Sm4 Te2 O12\n1.0\n5.068798 -0.000000 0.000000\n-0.000000 5.069011 0.000000\n0.000000 0.000000 10.328983\nSm Te O\n4 2 12\ndirect\n0.000009 0.000007 0.334512 Sm\n0.000009 0.000007 0.665488 Sm\n0.500040 0.500040 0.165488 Sm\n0.500040 0.500040 0.834512 Sm\n0.000050 0.000052 0.000000 Te\n0.499998 0.499995 0.500000 Te\n0.773131 0.773209 0.500000 O\n0.726884 0.273231 0.000000 O\n0.681117 0.318945 0.642470 O\n0.681117 0.318945 0.357529 O\n0.318875 0.681044 0.642470 O\n0.226866 0.226783 0.500000 O\n0.273229 0.726885 0.000000 O\n0.818951 0.818962 0.142465 O\n0.181131 0.181123 0.857524 O\n0.181131 0.181123 0.142476 O\n0.318875 0.681044 0.357530 O\n0.818951 0.818962 0.857535 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Te",
"O"
],
"chemical_system": "O-Sm-Te",
"density": 6.561252552946353,
"density_atomic": 0.06782451932548048,
"volume": 265.39074923068,
"volume_molar": 8.879002490383426,
"formula_full": "Sm4 Te2 O12",
"formula_reduced": "Sm2TeO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.136599612962963,
"spacegroup": 136
},
{
"id": "jvasp-7792",
"created_at": "2022-09-04T14:37:05.759496Z",
"updated_at": "2022-09-04T14:37:05.759517Z",
"structure_string": "Zn1 Ag1 F3\n1.0\n4.032134 -0.000000 -0.000000\n-0.000000 4.032134 -0.000000\n0.000000 -0.000000 4.032134\nZn Ag F\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Zn\n0.000000 0.000000 0.000000 Ag\n0.000000 0.499999 0.499999 F\n0.499999 0.000000 0.499999 F\n0.499999 0.499999 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"F"
],
"chemical_system": "Ag-F-Zn",
"density": 5.832921519947221,
"density_atomic": 0.07627199999407645,
"volume": 65.5548563088462,
"volume_molar": 7.895611443868917,
"formula_full": "Zn1 Ag1 F3",
"formula_reduced": "ZnAgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.002722,
"spacegroup": 221
},
{
"id": "jvasp-50194",
"created_at": "2022-09-04T14:37:05.762820Z",
"updated_at": "2022-09-04T14:37:05.762845Z",
"structure_string": "Ba6 Zr1 O8\n1.0\n-0.000000 5.429332 5.429332\n5.429332 -0.000000 5.429332\n5.429332 5.429332 -0.000000\nBa Zr O\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.799450 0.200550 0.200550 O\n0.250000 0.250000 0.250000 O\n0.200550 0.799450 0.200550 O\n0.200550 0.200550 0.799450 O\n0.799450 0.799450 0.200550 O\n0.799450 0.200550 0.799450 O\n0.750000 0.750000 0.750000 O\n0.200550 0.799450 0.799450 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 5.411774047632483,
"density_atomic": 0.04686213443180389,
"volume": 320.0878530581817,
"volume_molar": 12.850760711217111,
"formula_full": "Ba6 Zr1 O8",
"formula_reduced": "Ba6ZrO8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.6360892213333336,
"spacegroup": 225
},
{
"id": "jvasp-80748",
"created_at": "2022-09-04T14:37:05.770041Z",
"updated_at": "2022-09-04T14:37:05.770064Z",
"structure_string": "Na1 Y1 Hg2\n1.0\n-10.454710 0.000000 -6.036030\n-6.968750 0.468984 -0.001829\n-6.028901 3.127280 -1.629696\nNa Y Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 -0.000000 Y\n0.750485 0.000000 -0.000000 Hg\n0.249515 -0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Y",
"Hg"
],
"chemical_system": "Hg-Na-Y",
"density": 6.960141539702446,
"density_atomic": 0.032677406995027754,
"volume": 122.40873336763367,
"volume_molar": 18.429065564829973,
"formula_full": "Na1 Y1 Hg2",
"formula_reduced": "NaYHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-102184",
"created_at": "2022-09-04T14:37:07.566318Z",
"updated_at": "2022-09-04T14:37:07.566344Z",
"structure_string": "Sm2 As1 Se1\n1.0\n4.181099 0.000000 0.000000\n0.000000 4.181099 0.000000\n-0.000000 0.000000 5.905030\nSm As Se\n2 1 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"As",
"Se"
],
"chemical_system": "As-Se-Sm",
"density": 7.312688048059138,
"density_atomic": 0.0387486861239383,
"volume": 103.22930659393032,
"volume_molar": 15.541535371646114,
"formula_full": "Sm2 As1 Se1",
"formula_reduced": "Sm2AsSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2431932166666664,
"spacegroup": 123
},
{
"id": "jvasp-29339",
"created_at": "2022-09-04T14:37:05.740678Z",
"updated_at": "2022-09-04T14:37:05.740699Z",
"structure_string": "Nb2 Se4 Br4\n1.0\n6.233294 0.000503 2.500822\n2.587680 5.731136 2.561664\n0.033479 0.011220 7.430995\nNb Se Br\n2 4 4\ndirect\n0.875270 0.251966 0.999500 Nb\n0.124730 0.748034 0.000498 Nb\n0.741148 0.039071 0.863814 Se\n0.258852 0.960929 0.136184 Se\n0.081364 0.092074 0.669820 Se\n0.918636 0.907926 0.330179 Se\n0.582707 0.649534 0.769239 Br\n0.417293 0.350466 0.230760 Br\n0.828399 0.521721 0.229963 Br\n0.171600 0.478279 0.770036 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"Se",
"Br"
],
"chemical_system": "Br-Nb-Se",
"density": 5.1487911492424825,
"density_atomic": 0.037754687095726935,
"volume": 264.8677758776021,
"volume_molar": 15.950710291230525,
"formula_full": "Nb2 Se4 Br4",
"formula_reduced": "Nb(SeBr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5720768686666664,
"spacegroup": 2
}
]
}