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=174",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=172",
"results": [
{
"id": "jvasp-19658",
"created_at": "2022-09-04T14:38:17.403153Z",
"updated_at": "2022-09-04T14:38:17.403170Z",
"structure_string": "Er1 In3\n1.0\n4.616185 -0.000000 -0.000000\n-0.000000 4.616185 -0.000000\n-0.000000 0.000000 4.616185\nEr In\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.500001 0.000000 0.500001 In\n0.000000 0.500001 0.500001 In\n0.500001 0.500001 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"In"
],
"chemical_system": "Er-In",
"density": 8.638253234039828,
"density_atomic": 0.04066402605670784,
"volume": 98.36704300803412,
"volume_molar": 14.809504478483882,
"formula_full": "Er1 In3",
"formula_reduced": "ErIn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-18362",
"created_at": "2022-09-04T14:38:09.324215Z",
"updated_at": "2022-09-04T14:38:09.324249Z",
"structure_string": "Rb3 Bi1\n1.0\n5.479726 -0.000000 3.163722\n1.826576 5.166335 3.163722\n-0.000000 -0.000000 6.327443\nRb Bi\n3 1\ndirect\n0.750001 0.750001 0.749998 Rb\n0.500001 0.500000 0.499999 Rb\n0.250000 0.250000 0.249999 Rb\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Bi"
],
"chemical_system": "Bi-Rb",
"density": 4.314104993852448,
"density_atomic": 0.022330083286419992,
"volume": 179.130545492976,
"volume_molar": 26.96873398435713,
"formula_full": "Rb3 Bi1",
"formula_reduced": "Rb3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-16435",
"created_at": "2022-09-04T14:38:17.347472Z",
"updated_at": "2022-09-04T14:38:17.347491Z",
"structure_string": "Pr1 Mg2 Ag1\n1.0\n4.387606 0.000000 2.533186\n1.462535 4.136675 2.533186\n0.000000 -0.000000 5.066372\nPr Mg Ag\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Pr\n0.750001 0.750001 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg-Pr",
"density": 5.370235110350634,
"density_atomic": 0.043499462748482175,
"volume": 91.95515869077192,
"volume_molar": 13.844172731099146,
"formula_full": "Pr1 Mg2 Ag1",
"formula_reduced": "PrMg2Ag",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109782",
"created_at": "2022-09-04T14:38:17.338501Z",
"updated_at": "2022-09-04T14:38:17.338533Z",
"structure_string": "Ca2 Ga7 Au1\n1.0\n4.255480 0.000000 0.000000\n0.000000 4.255480 0.000000\n0.000000 0.000000 11.255325\nCa Ga Au\n2 7 1\ndirect\n0.000000 0.000000 0.002316 Ca\n0.500000 0.500000 0.499692 Ca\n-0.000000 0.500000 0.252400 Ga\n0.500000 0.000000 0.747876 Ga\n0.500000 0.000000 0.252400 Ga\n-0.000000 0.500000 0.747876 Ga\n0.000000 0.000000 0.610864 Ga\n0.000000 0.000000 0.390571 Ga\n0.500000 0.500000 0.886009 Ga\n0.500000 0.500000 0.109993 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Au"
],
"chemical_system": "Au-Ca-Ga",
"density": 6.233896475917769,
"density_atomic": 0.049061955320447104,
"volume": 203.8239188529119,
"volume_molar": 12.274563295870534,
"formula_full": "Ca2 Ga7 Au1",
"formula_reduced": "Ca2Ga7Au",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-106353",
"created_at": "2022-09-04T14:38:17.336133Z",
"updated_at": "2022-09-04T14:38:17.336163Z",
"structure_string": "Mg2 Ag1 Pd1\n1.0\n3.224758 0.000000 -0.000000\n-0.000000 3.224758 0.000000\n-0.000000 0.000000 6.581435\nMg Ag Pd\n2 1 1\ndirect\n0.500000 0.500000 0.265784 Mg\n0.500000 0.500000 0.734216 Mg\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"Pd"
],
"chemical_system": "Ag-Mg-Pd",
"density": 6.3785484102097385,
"density_atomic": 0.058444700471942085,
"volume": 68.44076482041866,
"volume_molar": 10.303997986765435,
"formula_full": "Mg2 Ag1 Pd1",
"formula_reduced": "Mg2AgPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-37259",
"created_at": "2022-09-04T14:38:01.389016Z",
"updated_at": "2022-09-04T14:38:01.389049Z",
"structure_string": "Sm1 Lu1 Zn2\n1.0\n0.000000 3.549020 3.549020\n3.549020 -0.000000 3.549020\n3.549020 3.549020 -0.000000\nSm Lu Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Lu",
"Zn"
],
"chemical_system": "Lu-Sm-Zn",
"density": 8.47220937974288,
"density_atomic": 0.044740893751448005,
"volume": 89.40366775463762,
"volume_molar": 13.460036791967525,
"formula_full": "Sm1 Lu1 Zn2",
"formula_reduced": "SmLuZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-16386",
"created_at": "2022-09-04T14:38:01.411319Z",
"updated_at": "2022-09-04T14:38:01.411345Z",
"structure_string": "Na1 Yb1 Se2\n1.0\n3.912650 -0.076061 5.973685\n1.725497 3.512445 5.973685\n-0.124795 -0.076061 7.139899\nYb Na Se\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Yb\n0.000000 0.000000 0.000000 Na\n0.245489 0.245489 0.245488 Se\n0.754513 0.754513 0.754511 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Na",
"Se"
],
"chemical_system": "Na-Se-Yb",
"density": 5.721315991665735,
"density_atomic": 0.03893724278023274,
"volume": 102.72941056911915,
"volume_molar": 15.466274265976681,
"formula_full": "Na1 Yb1 Se2",
"formula_reduced": "NaYbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-56362",
"created_at": "2022-09-04T14:38:01.414983Z",
"updated_at": "2022-09-04T14:38:01.415007Z",
"structure_string": "Er1 Zn5\n1.0\n2.642229 -4.576475 -0.000000\n2.642229 4.576475 -0.000000\n-0.000000 -0.000000 4.189579\nEr Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 0.500000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Zn"
],
"chemical_system": "Er-Zn",
"density": 8.101049642193809,
"density_atomic": 0.059217398118442954,
"volume": 101.32157424409586,
"volume_molar": 10.169546368712263,
"formula_full": "Er1 Zn5",
"formula_reduced": "ErZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-19776",
"created_at": "2022-09-04T14:38:02.696524Z",
"updated_at": "2022-09-04T14:38:02.696549Z",
"structure_string": "Zr1 Hg3\n1.0\n4.441179 -0.000000 -0.000000\n0.000000 4.441179 0.000000\n0.000000 0.000000 4.441179\nZr Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Hg"
],
"chemical_system": "Hg-Zr",
"density": 13.136623078855102,
"density_atomic": 0.04566307547786499,
"volume": 87.59812952018498,
"volume_molar": 13.188206657081631,
"formula_full": "Zr1 Hg3",
"formula_reduced": "ZrHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-40438",
"created_at": "2022-09-04T14:38:09.394898Z",
"updated_at": "2022-09-04T14:38:09.394923Z",
"structure_string": "Th1 Cd1 Hg2\n1.0\n-0.000000 3.678499 3.678499\n3.678499 -0.000000 3.678499\n3.678499 3.678499 -0.000000\nTh Cd Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Th\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Th",
"density": 12.437411418404695,
"density_atomic": 0.04018075276065453,
"volume": 99.55015088509857,
"volume_molar": 14.987625532732554,
"formula_full": "Th1 Cd1 Hg2",
"formula_reduced": "ThCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-59034",
"created_at": "2022-09-04T14:38:17.244682Z",
"updated_at": "2022-09-04T14:38:17.244703Z",
"structure_string": "Rb8 Ag4 Cl12\n1.0\n4.452711 -0.000000 0.000000\n0.000000 9.151371 0.000000\n0.000000 0.000000 17.763187\nRb Ag Cl\n8 4 12\ndirect\n0.250000 0.928555 0.712618 Rb\n0.750000 0.071445 0.287382 Rb\n0.250000 0.428555 0.787382 Rb\n0.750000 0.571445 0.212618 Rb\n0.750000 0.243569 0.541532 Rb\n0.250000 0.756430 0.458469 Rb\n0.750000 0.743569 0.958469 Rb\n0.250000 0.256430 0.041531 Rb\n0.750000 0.125532 0.867021 Ag\n0.250000 0.874468 0.132980 Ag\n0.750000 0.625532 0.632980 Ag\n0.250000 0.374468 0.367021 Ag\n0.250000 0.993660 0.902262 Cl\n0.750000 0.884039 0.573029 Cl\n0.250000 0.115961 0.426971 Cl\n0.750000 0.384039 0.926971 Cl\n0.250000 0.615961 0.073029 Cl\n0.750000 0.692714 0.775588 Cl\n0.250000 0.307286 0.224412 Cl\n0.750000 0.192714 0.724412 Cl\n0.250000 0.807286 0.275588 Cl\n0.250000 0.493660 0.597739 Cl\n0.750000 0.506340 0.402262 Cl\n0.750000 0.006340 0.097738 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb",
"density": 3.534450189181512,
"density_atomic": 0.03315734004812819,
"volume": 723.82163240971,
"volume_molar": 18.16231564793438,
"formula_full": "Rb8 Ag4 Cl12",
"formula_reduced": "Rb2AgCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-109030",
"created_at": "2022-09-04T14:38:17.244126Z",
"updated_at": "2022-09-04T14:38:17.244152Z",
"structure_string": "Cd6 Pb2\n1.0\n6.471272 -0.000000 0.000000\n-3.235636 5.604287 0.000000\n-0.000000 -0.000000 5.654897\nCd Pb\n6 2\ndirect\n0.836316 0.163684 0.750000 Cd\n0.327368 0.163684 0.750000 Cd\n0.836316 0.672633 0.750000 Cd\n0.163683 0.836317 0.250000 Cd\n0.672632 0.836317 0.250000 Cd\n0.163684 0.327368 0.250000 Cd\n0.666666 0.333334 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Pb"
],
"chemical_system": "Cd-Pb",
"density": 8.816349807795275,
"density_atomic": 0.03900814208564874,
"volume": 205.08538915887598,
"volume_molar": 15.438163516676614,
"formula_full": "Cd6 Pb2",
"formula_reduced": "Cd3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}