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=17",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=15",
"results": [
{
"id": "jvasp-61470",
"created_at": "2022-09-04T14:35:41.776343Z",
"updated_at": "2022-09-04T14:35:41.776374Z",
"structure_string": "Al2 F6\n1.0\n4.437723 -2.433986 0.035187\n4.437733 2.434001 0.035208\n3.071131 0.000023 4.023355\nAl F\n2 6\ndirect\n0.999947 0.000010 0.000043 Al\n0.499946 0.500012 0.500041 Al\n0.848968 0.250028 0.651019 F\n0.249964 0.650993 0.849061 F\n0.650923 0.849031 0.250057 F\n0.150923 0.749994 0.349066 F\n0.749931 0.349029 0.151023 F\n0.348969 0.150993 0.750026 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 3.2283233462731338,
"density_atomic": 0.09260381252423666,
"volume": 86.38953172588015,
"volume_molar": 6.5031240030467,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-61646",
"created_at": "2022-09-04T14:35:41.293429Z",
"updated_at": "2022-09-04T14:35:41.293456Z",
"structure_string": "K3 Al1 F6\n1.0\n0.000000 4.297608 4.297608\n4.297608 -0.000000 4.297608\n4.297608 4.297608 -0.000000\nK Al F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.287435 0.712565 0.712565 F\n0.712565 0.287435 0.287435 F\n0.712565 0.287435 0.712565 F\n0.287435 0.712565 0.287435 F\n0.287435 0.287435 0.712565 F\n0.712565 0.712565 0.287435 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Al",
"F"
],
"chemical_system": "Al-F-K",
"density": 2.7015149935959455,
"density_atomic": 0.06299261043748008,
"volume": 158.7487791115588,
"volume_molar": 9.56007493287955,
"formula_full": "K3 Al1 F6",
"formula_reduced": "K3AlF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-96463",
"created_at": "2022-09-04T14:35:44.742695Z",
"updated_at": "2022-09-04T14:35:44.742720Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sr",
"density": 3.431081473147026,
"density_atomic": 0.03924171820730903,
"volume": 560.6278472256689,
"volume_molar": 15.346271863494335,
"formula_full": "Sr8 Cl12 O2",
"formula_reduced": "Sr4Cl6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-97379",
"created_at": "2022-09-04T14:35:45.648813Z",
"updated_at": "2022-09-04T14:35:45.648832Z",
"structure_string": "K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-K",
"density": 2.467699228220312,
"density_atomic": 0.035575876256239695,
"volume": 674.614444550487,
"volume_molar": 16.927596432551034,
"formula_full": "K4 Ga4 Cl16",
"formula_reduced": "KGaCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-94794",
"created_at": "2022-09-04T14:35:41.626238Z",
"updated_at": "2022-09-04T14:35:41.626265Z",
"structure_string": "Mg7 V1\n1.0\n-4.358589 -4.358589 0.000000\n-4.358589 0.000000 -4.358589\n0.000000 -4.358589 -4.358589\nMg V\n7 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 V\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"V"
],
"chemical_system": "Mg-V",
"density": 2.2167868001415134,
"density_atomic": 0.0483083535336432,
"volume": 165.602828803275,
"volume_molar": 12.466044316343806,
"formula_full": "Mg7 V1",
"formula_reduced": "Mg7V",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65769",
"created_at": "2022-09-04T14:35:42.255119Z",
"updated_at": "2022-09-04T14:35:42.255150Z",
"structure_string": "Ba2 Sb1 Br1\n1.0\n0.000000 4.176257 4.176257\n4.176257 -0.000000 4.176257\n4.176257 4.176257 -0.000000\nBa Sb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Br"
],
"chemical_system": "Ba-Br-Sb",
"density": 5.4294325944624235,
"density_atomic": 0.027457964924343846,
"volume": 145.67722010794967,
"volume_molar": 21.932218125389383,
"formula_full": "Ba2 Sb1 Br1",
"formula_reduced": "Ba2SbBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-94143",
"created_at": "2022-09-04T14:35:43.319900Z",
"updated_at": "2022-09-04T14:35:43.319924Z",
"structure_string": "Mg6 Cu1 Bi1\n1.0\n6.622463 -0.233640 0.000000\n-3.513571 5.618402 0.000000\n0.000000 0.000000 4.951359\nMg Cu Bi\n6 1 1\ndirect\n0.168855 0.815810 0.250000 Mg\n0.684189 0.331145 0.250000 Mg\n0.672596 0.827404 0.250000 Mg\n0.334250 0.641557 0.750000 Mg\n0.858442 0.165750 0.750000 Mg\n0.830749 0.669250 0.750000 Mg\n0.110428 0.389572 0.250000 Cu\n0.340488 0.159511 0.750000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Bi"
],
"chemical_system": "Bi-Cu-Mg",
"density": 3.855918517388937,
"density_atomic": 0.044404023132107125,
"volume": 180.16385533804157,
"volume_molar": 13.562151208874546,
"formula_full": "Mg6 Cu1 Bi1",
"formula_reduced": "Mg6CuBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-93135",
"created_at": "2022-09-04T14:35:41.928571Z",
"updated_at": "2022-09-04T14:35:41.928606Z",
"structure_string": "La1 Mg6 Sb1\n1.0\n7.151213 -0.357274 0.000000\n-3.885015 6.014495 0.000000\n0.000000 0.000000 4.950679\nLa Mg Sb\n1 6 1\ndirect\n0.193303 0.306697 0.250000 La\n0.156988 0.794117 0.250000 Mg\n0.705882 0.343012 0.250000 Mg\n0.647366 0.852634 0.250000 Mg\n0.313714 0.678248 0.750000 Mg\n0.821751 0.186287 0.750000 Mg\n0.792915 0.707085 0.750000 Mg\n0.368083 0.131917 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Mg",
"Sb"
],
"chemical_system": "La-Mg-Sb",
"density": 3.275725456559809,
"density_atomic": 0.03882332031367656,
"volume": 206.06171588012745,
"volume_molar": 15.511658228465684,
"formula_full": "La1 Mg6 Sb1",
"formula_reduced": "LaMg6Sb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-64129",
"created_at": "2022-09-04T14:35:42.097982Z",
"updated_at": "2022-09-04T14:35:42.098000Z",
"structure_string": "K1 Ba1 Zn1\n1.0\n-0.000000 4.073482 4.073482\n4.073482 0.000000 4.073482\n4.073482 4.073482 -0.000000\nK Ba Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Zn"
],
"chemical_system": "Ba-K-Zn",
"density": 2.9705686615919946,
"density_atomic": 0.02219186768403066,
"volume": 135.18465605122591,
"volume_molar": 27.136700911088944,
"formula_full": "K1 Ba1 Zn1",
"formula_reduced": "KBaZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-98083",
"created_at": "2022-09-04T14:35:42.627827Z",
"updated_at": "2022-09-04T14:35:42.627838Z",
"structure_string": "Sb4 I4 Cl8 F24\n1.0\n7.809982 -0.002994 -0.000000\n-0.913610 7.756362 0.000000\n0.000000 0.000000 13.033347\nSb I Cl F\n4 4 8 24\ndirect\n0.300208 0.699792 0.559946 Sb\n0.199792 0.800208 0.059946 Sb\n0.800208 0.199792 0.940055 Sb\n0.699792 0.300208 0.440054 Sb\n0.336494 0.163506 0.750000 I\n0.663506 0.836494 0.250000 I\n0.836494 0.663506 0.750000 I\n0.163506 0.336494 0.250000 I\n0.793681 0.880248 0.634952 Cl\n0.293681 0.380248 0.865048 Cl\n0.380248 0.293682 0.134952 Cl\n0.706318 0.619752 0.134952 Cl\n0.880248 0.793682 0.365048 Cl\n0.619752 0.706319 0.865048 Cl\n0.119752 0.206319 0.634952 Cl\n0.206319 0.119752 0.365048 Cl\n0.526816 0.205685 0.534155 F\n0.473183 0.794315 0.465845 F\n0.294315 0.973183 0.965845 F\n0.145897 0.854103 0.509767 F\n0.876758 0.382384 0.339704 F\n0.882383 0.376759 0.839704 F\n0.794315 0.473184 0.534155 F\n0.623241 0.117617 0.839704 F\n0.382384 0.876759 0.660297 F\n0.645897 0.354103 -0.009767 F\n0.973183 0.294315 0.034155 F\n0.617616 0.123242 0.339704 F\n0.705685 0.026817 0.034155 F\n0.376758 0.882384 0.160297 F\n0.551508 0.448492 0.378311 F\n0.448492 0.551508 0.621689 F\n0.854103 0.145898 0.490234 F\n0.026816 0.705685 0.965845 F\n0.205685 0.526816 0.465845 F\n0.948492 0.051508 0.878311 F\n0.051508 0.948492 0.121689 F\n0.117616 0.623241 0.160297 F\n0.123241 0.617616 0.660297 F\n0.354103 0.645897 0.009767 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sb",
"I",
"Cl",
"F"
],
"chemical_system": "Cl-F-I-Sb",
"density": 3.6476632444780224,
"density_atomic": 0.05066587429380191,
"volume": 789.4860309337108,
"volume_molar": 11.885990015841301,
"formula_full": "Sb4 I4 Cl8 F24",
"formula_reduced": "SbI(ClF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-64780",
"created_at": "2022-09-04T14:35:42.223568Z",
"updated_at": "2022-09-04T14:35:42.223589Z",
"structure_string": "Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Sn"
],
"chemical_system": "Ba-Ca-Sn",
"density": 4.2770865470680395,
"density_atomic": 0.02182519085382257,
"volume": 274.9116853174794,
"volume_molar": 27.592614425844772,
"formula_full": "Ba4 Ca1 Sn1",
"formula_reduced": "Ba4CaSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-91975",
"created_at": "2022-09-04T14:35:49.973045Z",
"updated_at": "2022-09-04T14:35:49.973068Z",
"structure_string": "Cr1 Cd1 F6\n1.0\n4.550405 0.035196 3.230747\n1.687364 4.226136 3.230746\n0.051521 0.035198 5.580435\nCr Cd F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.500001 Cd\n0.377163 0.062974 0.785279 F\n0.062972 0.785280 0.377164 F\n0.214720 0.622838 0.937028 F\n0.937027 0.214723 0.622837 F\n0.622836 0.937029 0.214722 F\n0.785279 0.377164 0.062973 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"F"
],
"chemical_system": "Cd-Cr-F",
"density": 4.362843180601914,
"density_atomic": 0.07549968356606085,
"volume": 105.96070900085489,
"volume_molar": 7.976378807906838,
"formula_full": "Cr1 Cd1 F6",
"formula_reduced": "CrCdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
}
]
}