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=1123",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1121",
"results": [
{
"id": "jvasp-18609",
"created_at": "2022-09-04T14:37:03.339395Z",
"updated_at": "2022-09-04T14:37:03.339422Z",
"structure_string": "Ho1 Au4\n1.0\n3.849926 0.000000 1.707836\n1.924963 4.781545 0.853918\n-0.013932 0.000000 5.224713\nHo Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.599149 0.600441 0.201261 Au\n0.400852 0.399558 0.798740 Au\n0.800410 0.798739 0.600442 Au\n0.199592 0.201260 0.399558 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ho",
"Au"
],
"chemical_system": "Au-Ho",
"density": 16.43057667493679,
"density_atomic": 0.051924642654073976,
"volume": 96.29339258645246,
"volume_molar": 11.597847288271142,
"formula_full": "Ho1 Au4",
"formula_reduced": "HoAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.5342571693333332,
"spacegroup": 87
},
{
"id": "jvasp-113743",
"created_at": "2022-09-04T14:38:49.003978Z",
"updated_at": "2022-09-04T14:38:49.003997Z",
"structure_string": "Ca1 Sb1 Au1\n1.0\n3.127862 0.000000 0.000000\n0.000000 3.127862 -0.000000\n-0.000000 0.000000 8.828824\nCa Sb Au\n1 1 1\ndirect\n0.000000 0.000000 -0.001822 Ca\n0.000000 0.000000 0.639126 Sb\n0.000000 0.000000 0.317223 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 6.897775175297968,
"density_atomic": 0.03473147499203096,
"volume": 86.37698228158584,
"volume_molar": 17.339144857457864,
"formula_full": "Ca1 Sb1 Au1",
"formula_reduced": "CaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5344146966666669,
"spacegroup": 99
},
{
"id": "jvasp-16839",
"created_at": "2022-09-04T14:38:31.916614Z",
"updated_at": "2022-09-04T14:38:31.916637Z",
"structure_string": "Se2\n1.0\n3.877363 -0.000000 2.238597\n1.292454 3.655613 2.238597\n-0.000000 -0.000000 4.477193\nSe\n2\ndirect\n0.874999 0.874999 0.875002 Se\n0.125000 0.125000 0.125000 Se\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.132222916848017,
"density_atomic": 0.0315157396980195,
"volume": 63.46035406954714,
"volume_molar": 19.108359244312584,
"formula_full": "Se2",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.5344433666666666,
"spacegroup": 227
},
{
"id": "jvasp-25090",
"created_at": "2022-09-04T14:37:41.803039Z",
"updated_at": "2022-09-04T14:37:41.803060Z",
"structure_string": "Se2\n1.0\n3.877363 -0.000000 2.238597\n1.292454 3.655613 2.238597\n-0.000000 -0.000000 4.477193\nSe\n2\ndirect\n0.874999 0.874999 0.875002 Se\n0.125000 0.125000 0.125000 Se\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.132222916848017,
"density_atomic": 0.0315157396980195,
"volume": 63.46035406954714,
"volume_molar": 19.108359244312584,
"formula_full": "Se2",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.5344433666666666,
"spacegroup": 227
},
{
"id": "jvasp-12571",
"created_at": "2022-09-04T14:36:51.371920Z",
"updated_at": "2022-09-04T14:36:51.371957Z",
"structure_string": "Hg4 H4 O4 F4\n1.0\n4.977508 0.000000 0.000000\n0.000000 6.042031 0.000000\n0.000000 0.000000 6.974640\nHg H O F\n4 4 4 4\ndirect\n0.254195 0.493287 0.140761 Hg\n0.754195 0.006713 0.859239 Hg\n0.745805 -0.006713 0.359239 Hg\n0.245805 0.506713 0.640761 Hg\n0.643752 0.509162 0.394131 H\n0.143751 0.990838 0.605869 H\n0.356249 0.009162 0.105869 H\n0.856249 0.490838 0.894131 H\n0.465924 0.598218 0.390657 O\n0.034076 0.401782 0.890657 O\n0.534076 0.098218 0.109343 O\n0.965924 0.901782 0.609343 O\n0.399347 0.107994 0.608302 F\n0.600654 0.607994 0.891698 F\n0.899347 0.392006 0.391698 F\n0.100654 0.892005 0.108302 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hg",
"H",
"O",
"F"
],
"chemical_system": "F-H-Hg-O",
"density": 7.492026473620715,
"density_atomic": 0.0762786978449445,
"volume": 209.75712029751736,
"volume_molar": 7.894918149024391,
"formula_full": "Hg4 H4 O4 F4",
"formula_reduced": "HgHOF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.534494595625,
"spacegroup": 19
},
{
"id": "jvasp-14976",
"created_at": "2022-09-04T14:36:09.863670Z",
"updated_at": "2022-09-04T14:36:09.863716Z",
"structure_string": "Nd1 As1\n1.0\n3.695462 0.000000 2.133575\n1.231820 3.484115 2.133575\n0.000000 0.000000 4.267152\nNd As\n1 1\ndirect\n0.499999 0.500001 0.500001 Nd\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"As"
],
"chemical_system": "As-Nd",
"density": 6.623967421202058,
"density_atomic": 0.03640245388734105,
"volume": 54.941351102033806,
"volume_molar": 16.543227494051436,
"formula_full": "Nd1 As1",
"formula_reduced": "NdAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.5346016250000001,
"spacegroup": 225
},
{
"id": "jvasp-106243",
"created_at": "2022-09-04T14:38:39.929510Z",
"updated_at": "2022-09-04T14:38:39.929526Z",
"structure_string": "Er2 Al1 Cd1\n1.0\n4.445900 0.000000 2.566841\n1.481966 4.191634 2.566841\n0.000000 0.000000 5.133682\nEr Al Cd\n2 1 1\ndirect\n0.750001 0.749999 0.749999 Er\n0.250000 0.250000 0.250000 Er\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Al",
"Cd"
],
"chemical_system": "Al-Cd-Er",
"density": 8.22571117194844,
"density_atomic": 0.04181075246145352,
"volume": 95.6691703572594,
"volume_molar": 14.40333025709589,
"formula_full": "Er2 Al1 Cd1",
"formula_reduced": "Er2AlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5347281375,
"spacegroup": 225
},
{
"id": "jvasp-64110",
"created_at": "2022-09-04T14:36:01.902960Z",
"updated_at": "2022-09-04T14:36:01.902985Z",
"structure_string": "Ba4 Si1 Sn1\n1.0\n-0.000000 4.915422 4.915422\n4.915422 0.000000 4.915422\n4.915422 4.915422 -0.000000\nBa Si Sn\n4 1 1\ndirect\n0.125580 0.624807 0.624807 Ba\n0.624807 0.624807 0.624807 Ba\n0.624807 0.125580 0.624807 Ba\n0.624807 0.624807 0.125580 Ba\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Sn"
],
"chemical_system": "Ba-Si-Sn",
"density": 4.866430130789627,
"density_atomic": 0.025260318837455623,
"volume": 237.52669309554753,
"volume_molar": 23.840319667978456,
"formula_full": "Ba4 Si1 Sn1",
"formula_reduced": "Ba4SiSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5348040299999999,
"spacegroup": 216
},
{
"id": "jvasp-36117",
"created_at": "2022-09-04T14:37:35.455915Z",
"updated_at": "2022-09-04T14:37:35.455933Z",
"structure_string": "K1 Lu1 S2\n1.0\n-1.971723 -3.415124 -0.000000\n-3.943446 -0.000000 0.000000\n-1.971723 -1.138374 -7.271897\nK Lu S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.500000 0.500000 Lu\n0.766547 0.766550 0.700352 S\n0.233450 0.233451 0.299648 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Lu",
"S"
],
"chemical_system": "K-Lu-S",
"density": 4.717031666892299,
"density_atomic": 0.04084415326530618,
"volume": 97.93323352837572,
"volume_molar": 14.744192934745751,
"formula_full": "K1 Lu1 S2",
"formula_reduced": "KLuS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5348434375,
"spacegroup": 166
},
{
"id": "jvasp-85188",
"created_at": "2022-09-04T14:37:16.870072Z",
"updated_at": "2022-09-04T14:37:16.870086Z",
"structure_string": "La2 Pb2 Au2\n1.0\n4.894218 0.000000 0.000000\n-2.447109 4.238612 0.000000\n0.000000 0.000000 7.985508\nLa Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333341 0.666681 0.750000 Pb\n0.666659 0.333318 0.250000 Pb\n0.333327 0.666655 0.250000 Au\n0.666673 0.333345 0.750000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Pb",
"Au"
],
"chemical_system": "Au-La-Pb",
"density": 10.887471062521897,
"density_atomic": 0.03621943972791709,
"volume": 165.65689709924865,
"volume_molar": 16.626819203275186,
"formula_full": "La2 Pb2 Au2",
"formula_reduced": "LaPbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5349277966666668,
"spacegroup": 194
},
{
"id": "jvasp-100322",
"created_at": "2022-09-04T14:36:37.627921Z",
"updated_at": "2022-09-04T14:36:37.627947Z",
"structure_string": "Y1 Be1 Cu4\n1.0\n5.091372 -0.000000 -0.000000\n-2.545687 4.409257 -0.000000\n0.000000 0.000000 3.847514\nY Be Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.000000 Be\n0.666667 0.333333 0.000000 Cu\n0.010403 0.505202 0.499999 Cu\n0.494798 0.505202 0.499999 Cu\n0.494798 0.989597 0.499999 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-Y",
"density": 6.7691973727679,
"density_atomic": 0.06946576114923077,
"volume": 86.37348674709571,
"volume_molar": 8.669221585383415,
"formula_full": "Y1 Be1 Cu4",
"formula_reduced": "YBeCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5349972250000001,
"spacegroup": 187
},
{
"id": "jvasp-3621",
"created_at": "2022-09-04T14:35:54.226194Z",
"updated_at": "2022-09-04T14:35:54.226217Z",
"structure_string": "Bi2 Br2 O2\n1.0\n3.957966 0.000000 0.000000\n0.000000 3.957966 0.000000\n0.000000 0.000000 8.219685\nBi Br O\n2 2 2\ndirect\n0.500001 0.000000 0.845988 Bi\n0.000000 0.500001 0.154013 Bi\n0.000000 0.500001 0.656768 Br\n0.500001 0.000000 0.343233 Br\n0.500001 0.500001 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Bi",
"Br",
"O"
],
"chemical_system": "Bi-Br-O",
"density": 7.863468455857608,
"density_atomic": 0.046596356302984164,
"volume": 128.7654330949423,
"volume_molar": 12.924059385335081,
"formula_full": "Bi2 Br2 O2",
"formula_reduced": "BiBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5350773016666669,
"spacegroup": 129
}
]
}