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=396",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=394",
"results": [
{
"id": "jvasp-1264",
"created_at": "2022-09-04T14:36:53.411947Z",
"updated_at": "2022-09-04T14:36:53.411972Z",
"structure_string": "K2 O1\n1.0\n3.908350 0.000000 2.256487\n1.302783 3.684828 2.256487\n0.000000 0.000000 4.512974\nK O\n2 1\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.406622970627263,
"density_atomic": 0.046158081947349786,
"volume": 64.99403513824404,
"volume_molar": 13.04677427209639,
"formula_full": "K2 O1",
"formula_reduced": "K2O",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001033333333333,
"spacegroup": 225
},
{
"id": "jvasp-29654",
"created_at": "2022-09-04T14:38:33.244376Z",
"updated_at": "2022-09-04T14:38:33.244392Z",
"structure_string": "Cd7 I14\n1.0\n4.285702 -0.000000 -0.000000\n-2.142851 3.711527 0.000000\n-0.000000 -0.000000 48.151694\nCd I\n7 14\ndirect\n0.000000 0.000000 0.178569 Cd\n0.000000 0.000000 0.750006 Cd\n0.000000 0.000000 0.892818 Cd\n0.666667 0.333333 0.321411 Cd\n0.000000 0.000000 0.464292 Cd\n0.666667 0.333333 0.607096 Cd\n0.666667 0.333333 0.035709 Cd\n0.333333 0.666668 0.500330 I\n0.000000 0.000000 0.571105 I\n0.333333 0.666668 0.928859 I\n0.333333 0.666668 0.786033 I\n-0.000000 -0.000000 -0.000287 I\n0.333333 0.666668 0.643136 I\n0.333333 0.666668 0.071748 I\n0.333333 0.666668 0.214609 I\n0.666667 0.333333 0.714000 I\n0.666667 0.333333 0.856822 I\n0.666667 0.333333 0.142577 I\n0.666667 0.333333 0.428299 I\n0.333333 0.666668 0.357450 I\n0.000000 0.000000 0.285415 I\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.557800586203208,
"density_atomic": 0.0274178332215002,
"volume": 765.9248573856107,
"volume_molar": 21.96432048932892,
"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001033333333333,
"spacegroup": 156
},
{
"id": "jvasp-92868",
"created_at": "2022-09-04T14:36:18.220278Z",
"updated_at": "2022-09-04T14:36:18.220309Z",
"structure_string": "Mg6 Cr1 Cd1\n1.0\n6.247012 0.004358 0.000000\n-3.119733 5.412250 0.000000\n0.000000 0.000000 4.990264\nMg Cr Cd\n6 1 1\ndirect\n0.167560 0.836255 0.250000 Mg\n0.663745 0.332440 0.250000 Mg\n0.665510 0.834490 0.250000 Mg\n0.331012 0.655698 0.749999 Mg\n0.844302 0.168989 0.749999 Mg\n0.832913 0.667088 0.749999 Mg\n0.164186 0.335814 0.250000 Cr\n0.330773 0.169227 0.749999 Cd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Cd"
],
"chemical_system": "Cd-Cr-Mg",
"density": 3.0520701798703795,
"density_atomic": 0.047395998064524665,
"volume": 168.79062213457013,
"volume_molar": 12.70601106827941,
"formula_full": "Mg6 Cr1 Cd1",
"formula_reduced": "Mg6CrCd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0001037499999997,
"spacegroup": 38
},
{
"id": "jvasp-94185",
"created_at": "2022-09-04T14:35:48.874040Z",
"updated_at": "2022-09-04T14:35:48.874072Z",
"structure_string": "Mg6 Cr1 Cu1\n1.0\n6.096692 0.035820 0.000000\n-3.017326 5.297800 0.000000\n0.000000 0.000000 4.875717\nMg Cr Cu\n6 1 1\ndirect\n0.165505 0.850304 0.250000 Mg\n0.649695 0.334494 0.250000 Mg\n0.662610 0.837389 0.250000 Mg\n0.327365 0.648100 0.750000 Mg\n0.851900 0.172634 0.750000 Mg\n0.835522 0.664477 0.750000 Mg\n0.333816 0.166184 0.750000 Cr\n0.173582 0.326418 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Cu"
],
"chemical_system": "Cr-Cu-Mg",
"density": 2.74681360462419,
"density_atomic": 0.05063034095604334,
"volume": 158.00802145388485,
"volume_molar": 11.89433183005493,
"formula_full": "Mg6 Cr1 Cu1",
"formula_reduced": "Mg6CrCu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0001037499999999,
"spacegroup": 38
},
{
"id": "jvasp-18985",
"created_at": "2022-09-04T14:37:02.214431Z",
"updated_at": "2022-09-04T14:37:02.214449Z",
"structure_string": "Te4 F24\n1.0\n4.991724 0.000000 0.000000\n-0.000000 8.606093 0.000000\n0.000000 0.000000 9.475502\nTe F\n4 24\ndirect\n0.591866 0.750000 0.626962 Te\n0.091866 0.250000 0.873037 Te\n0.408133 0.250000 0.373037 Te\n0.908133 0.750000 0.126963 Te\n0.565918 0.097035 0.261200 F\n0.065919 0.902965 0.238800 F\n0.248778 0.403319 0.484152 F\n0.748778 0.596681 0.015847 F\n0.751221 0.903319 0.515847 F\n0.251222 0.096681 0.984152 F\n0.751221 0.596681 0.515847 F\n0.251222 0.403319 0.984152 F\n0.248778 0.096681 0.484152 F\n0.748778 0.903319 0.015847 F\n0.891954 0.750000 0.744600 F\n0.108045 0.250000 0.255400 F\n0.934080 0.402965 0.761200 F\n0.608045 0.750000 0.244600 F\n0.293283 0.750000 0.508542 F\n0.793283 0.250000 0.991458 F\n0.706716 0.250000 0.491458 F\n0.206717 0.750000 0.008542 F\n0.934080 0.097035 0.761200 F\n0.434081 0.902965 0.738800 F\n0.065919 0.597035 0.238800 F\n0.565918 0.402965 0.261200 F\n0.391954 0.250000 0.755400 F\n0.434081 0.597035 0.738800 F\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Te",
"F"
],
"chemical_system": "F-Te",
"density": 3.942121169709227,
"density_atomic": 0.0687858652037895,
"volume": 407.06037377076484,
"volume_molar": 8.75491024523485,
"formula_full": "Te4 F24",
"formula_reduced": "TeF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.0001042857142857,
"spacegroup": 62
},
{
"id": "jvasp-56474",
"created_at": "2022-09-04T14:37:39.154848Z",
"updated_at": "2022-09-04T14:37:39.154872Z",
"structure_string": "Ag2 Br2\n1.0\n0.000000 4.091983 -0.040912\n4.092767 0.000000 0.000000\n0.000000 -0.059144 -5.786428\nAg Br\n2 2\ndirect\n0.750078 0.750001 0.749927 Ag\n0.249923 0.250000 0.250073 Ag\n0.250057 0.250000 0.750039 Br\n0.749944 0.750001 0.249961 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Br"
],
"chemical_system": "Ag-Br",
"density": 6.43434899581527,
"density_atomic": 0.041271876630464874,
"volume": 96.91829707223432,
"volume_molar": 14.591390679712275,
"formula_full": "Ag2 Br2",
"formula_reduced": "AgBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.000105,
"spacegroup": 225
},
{
"id": "jvasp-52966",
"created_at": "2022-09-04T14:36:43.710251Z",
"updated_at": "2022-09-04T14:36:43.710270Z",
"structure_string": "Cu8 O1\n1.0\n4.297514 1.091374 0.000000\n-1.150551 4.282051 0.000000\n0.000000 0.000000 5.494507\nCu O\n8 1\ndirect\n0.424007 0.201833 0.000000 Cu\n0.798166 0.575992 0.000000 Cu\n0.400913 0.178681 0.500000 Cu\n0.821318 0.599086 0.500000 Cu\n0.334314 0.665685 0.725850 Cu\n0.334314 0.665685 0.274151 Cu\n0.887916 0.112082 0.274150 Cu\n0.887916 0.112082 0.725851 Cu\n0.111132 0.888867 0.000000 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 8.061575214294328,
"density_atomic": 0.08332544440048383,
"volume": 108.01022502494739,
"volume_molar": 7.227253095772307,
"formula_full": "Cu8 O1",
"formula_reduced": "Cu8O",
"formula_anonymous": "AB8",
"energy_above_hull": 0.0001055555555555,
"spacegroup": 65
},
{
"id": "jvasp-29536",
"created_at": "2022-09-04T14:37:54.115296Z",
"updated_at": "2022-09-04T14:37:54.115312Z",
"structure_string": "Cd6 I12\n1.0\n4.285873 0.000000 0.000000\n-2.142937 3.711676 -0.000000\n0.000000 -0.000000 41.277729\nCd I\n6 12\ndirect\n0.666666 0.333333 0.041665 Cd\n0.333333 0.666668 0.208351 Cd\n0.333333 0.666668 0.541686 Cd\n0.333333 0.666668 0.708356 Cd\n-0.000000 0.000000 0.374972 Cd\n0.333333 0.666668 0.874970 Cd\n-0.000000 0.000000 0.666342 I\n0.666666 0.333333 0.250368 I\n0.666666 0.333333 0.916979 I\n0.000000 -0.000000 -0.000365 I\n0.666666 0.333333 0.417001 I\n0.333333 0.666668 0.332974 I\n-0.000000 0.000000 0.832958 I\n-0.000000 0.000000 0.499675 I\n0.333333 0.666668 0.083667 I\n-0.000000 0.000000 0.166334 I\n0.666666 0.333333 0.583701 I\n0.666666 0.333333 0.750368 I\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.556702977199854,
"density_atomic": 0.02741241847872028,
"volume": 656.6366996758438,
"volume_molar": 21.968659075720986,
"formula_full": "Cd6 I12",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001066666666666,
"spacegroup": 164
},
{
"id": "jvasp-29639",
"created_at": "2022-09-04T14:37:12.690334Z",
"updated_at": "2022-09-04T14:37:12.690348Z",
"structure_string": "Cd6 I12\n1.0\n4.285527 0.000000 -0.000000\n-2.142764 3.711377 0.000000\n-0.000000 0.000000 41.289410\nCd I\n6 12\ndirect\n0.000000 0.000000 0.541628 Cd\n0.333334 0.666668 0.708323 Cd\n0.000000 0.000000 0.874996 Cd\n0.666668 0.333333 0.041677 Cd\n0.666668 0.333333 0.374988 Cd\n0.000000 0.000000 0.208352 Cd\n0.333334 0.666668 0.250379 I\n0.333334 0.666668 0.417013 I\n0.666668 0.333333 0.499629 I\n0.666668 0.333333 0.666302 I\n0.000000 0.000000 -0.000314 I\n0.000000 0.000000 0.333001 I\n0.333334 0.666668 0.917012 I\n0.000000 0.000000 0.750322 I\n0.666668 0.333333 0.832987 I\n0.333334 0.666668 0.083706 I\n0.333334 0.666668 0.583636 I\n0.666668 0.333333 0.166364 I\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.556027034012476,
"density_atomic": 0.02740908390467587,
"volume": 656.7165857348949,
"volume_molar": 21.97133177067859,
"formula_full": "Cd6 I12",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001066666666666,
"spacegroup": 156
},
{
"id": "jvasp-20310",
"created_at": "2022-09-04T14:37:45.338916Z",
"updated_at": "2022-09-04T14:37:45.338937Z",
"structure_string": "Al2 F6\n1.0\n4.301427 0.031864 2.676178\n1.502620 4.030562 2.676178\n0.045525 0.031865 5.065780\nAl F\n2 6\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.653114 0.249999 0.846886 F\n0.250000 0.846887 0.653112 F\n0.153114 0.346888 0.750001 F\n0.750002 0.153113 0.346888 F\n0.346888 0.750000 0.153114 F\n0.846888 0.653111 0.250000 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 3.2109155580272426,
"density_atomic": 0.09210447358377859,
"volume": 86.85788744803116,
"volume_molar": 6.538380304103511,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001074999999999,
"spacegroup": 167
},
{
"id": "jvasp-110047",
"created_at": "2022-09-04T14:38:01.145601Z",
"updated_at": "2022-09-04T14:38:01.145611Z",
"structure_string": "Tl3 Cd1\n1.0\n4.755609 -0.000000 2.745652\n1.585203 4.483631 2.745652\n-0.000000 -0.000000 5.491304\nTl Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.749999 Tl\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Cd"
],
"chemical_system": "Cd-Tl",
"density": 10.28990766631078,
"density_atomic": 0.0341624100170454,
"volume": 117.08775809447262,
"volume_molar": 17.62797401294359,
"formula_full": "Tl3 Cd1",
"formula_reduced": "Tl3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001099999999999,
"spacegroup": 225
},
{
"id": "jvasp-29542",
"created_at": "2022-09-04T14:38:01.546528Z",
"updated_at": "2022-09-04T14:38:01.546553Z",
"structure_string": "Pb4 I8\n1.0\n4.585933 0.000000 -0.000000\n-2.292966 3.971535 0.000000\n0.000000 -0.000000 28.176453\nPb I\n4 8\ndirect\n0.333333 0.666668 0.750176 Pb\n0.333333 0.666668 -0.000181 Pb\n0.666667 0.333333 0.250176 Pb\n0.666667 0.333333 0.499819 Pb\n0.333333 0.666668 0.182916 I\n0.000000 0.000000 0.817471 I\n0.000000 0.000000 0.067093 I\n0.666667 0.333333 0.932525 I\n0.666667 0.333333 0.682916 I\n0.000000 0.000000 0.317471 I\n0.333333 0.666668 0.432525 I\n0.000000 0.000000 0.567093 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.966862300849664,
"density_atomic": 0.023383462813327607,
"volume": 513.1831882983771,
"volume_molar": 25.7538449633201,
"formula_full": "Pb4 I8",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001099999999999,
"spacegroup": 186
}
]
}