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=created_at&page=246",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=244",
"results": [
{
"id": "jvasp-69006",
"created_at": "2022-09-04T14:35:48.779630Z",
"updated_at": "2022-09-04T14:35:48.779651Z",
"structure_string": "Ba1 In1 Te2\n1.0\n5.663990 0.000000 -0.000000\n0.000000 5.663990 0.000000\n0.000000 0.000000 4.276387\nBa In Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Te"
],
"chemical_system": "Ba-In-Te",
"density": 6.140878795350561,
"density_atomic": 0.029156677612654298,
"volume": 137.1898421740603,
"volume_molar": 20.654413510359387,
"formula_full": "Ba1 In1 Te2",
"formula_reduced": "BaInTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1822825888888889,
"spacegroup": 123
},
{
"id": "jvasp-71994",
"created_at": "2022-09-04T14:35:48.781064Z",
"updated_at": "2022-09-04T14:35:48.781083Z",
"structure_string": "Mn1 Be1 Ge2\n1.0\n-1.818550 1.818550 4.172302\n1.818550 -1.818550 4.172302\n1.818550 1.818550 -4.172302\nMn Be Ge\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Mn",
"density": 6.294877801760112,
"density_atomic": 0.0724725882026581,
"volume": 55.19328202843583,
"volume_molar": 8.309542834540473,
"formula_full": "Mn1 Be1 Ge2",
"formula_reduced": "MnBeGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9886238103448275,
"spacegroup": 119
},
{
"id": "jvasp-15675",
"created_at": "2022-09-04T14:35:48.782070Z",
"updated_at": "2022-09-04T14:35:48.782090Z",
"structure_string": "Lu2 Ni2 B2 C2\n1.0\n3.502178 -0.000000 -0.000000\n0.000000 3.502178 -0.000000\n0.000000 0.000000 7.527501\nLu Ni B C\n2 2 2 2\ndirect\n0.500000 0.000000 0.838886 Lu\n0.000000 0.500000 0.161113 Lu\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.652430 B\n0.500000 0.000000 0.347570 B\n0.500000 0.000000 0.150699 C\n0.000000 0.500000 0.849301 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Lu",
"Ni",
"B",
"C"
],
"chemical_system": "B-C-Lu-Ni",
"density": 9.22590335845569,
"density_atomic": 0.08664883620646764,
"volume": 92.32668723833204,
"volume_molar": 6.95005383067164,
"formula_full": "Lu2 Ni2 B2 C2",
"formula_reduced": "LuNiBC",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.054357683333333,
"spacegroup": 129
},
{
"id": "jvasp-3687",
"created_at": "2022-09-04T14:35:48.786388Z",
"updated_at": "2022-09-04T14:35:48.786420Z",
"structure_string": "Mg2 H4\n1.0\n4.499901 0.000000 0.000000\n0.000000 4.499901 0.000000\n0.000000 0.000000 3.003152\nMg H\n2 4\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.195982 0.195982 0.000000 H\n0.695982 0.304018 0.500000 H\n0.804018 0.804018 0.000000 H\n0.304018 0.695982 0.500000 H\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"H"
],
"chemical_system": "H-Mg",
"density": 1.437461646786422,
"density_atomic": 0.0986661127254192,
"volume": 60.811152221001905,
"volume_molar": 6.103555307544336,
"formula_full": "Mg2 H4",
"formula_reduced": "MgH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1709963500000002,
"spacegroup": 136
},
{
"id": "jvasp-65746",
"created_at": "2022-09-04T14:35:48.787313Z",
"updated_at": "2022-09-04T14:35:48.787331Z",
"structure_string": "Ba1 P2 Br1\n1.0\n4.236272 0.000000 0.000000\n0.000000 4.236272 0.000000\n0.000000 -0.000000 6.167537\nBa P Br\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 P\n0.500000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"P",
"Br"
],
"chemical_system": "Ba-Br-P",
"density": 4.188433902332571,
"density_atomic": 0.03613936798737353,
"volume": 110.68262182663324,
"volume_molar": 16.663658208145844,
"formula_full": "Ba1 P2 Br1",
"formula_reduced": "BaP2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3020427687500002,
"spacegroup": 123
},
{
"id": "jvasp-68838",
"created_at": "2022-09-04T14:35:48.787711Z",
"updated_at": "2022-09-04T14:35:48.787735Z",
"structure_string": "Be2 Pd1 Br1\n1.0\n3.107269 0.000000 0.000000\n0.000000 3.107269 0.000000\n-0.000000 0.000000 6.237786\nBe Pd Br\n2 1 1\ndirect\n0.000000 0.000000 0.673187 Be\n0.000000 0.000000 0.326814 Be\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pd",
"Br"
],
"chemical_system": "Be-Br-Pd",
"density": 5.634197761247308,
"density_atomic": 0.06641586227650666,
"volume": 60.22657634627931,
"volume_molar": 9.067323006254513,
"formula_full": "Be2 Pd1 Br1",
"formula_reduced": "Be2PdBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.32680050125,
"spacegroup": 123
},
{
"id": "jvasp-18412",
"created_at": "2022-09-04T14:35:48.793373Z",
"updated_at": "2022-09-04T14:35:48.793404Z",
"structure_string": "Ta1 H2\n1.0\n2.784382 -0.000000 1.607564\n0.928127 2.625141 1.607564\n-0.000000 -0.000000 3.215128\nTa H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750000 0.750000 0.749998 H\n0.250000 0.250000 0.249999 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"H"
],
"chemical_system": "H-Ta",
"density": 12.928092595462655,
"density_atomic": 0.12765608893547245,
"volume": 23.500641645980856,
"volume_molar": 4.717472398080494,
"formula_full": "Ta1 H2",
"formula_reduced": "TaH2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4821064,
"spacegroup": 225
},
{
"id": "jvasp-68967",
"created_at": "2022-09-04T14:35:48.799858Z",
"updated_at": "2022-09-04T14:35:48.799876Z",
"structure_string": "Ba1 Si1 Cl2\n1.0\n4.946394 0.000000 -0.000000\n0.000000 4.946394 -0.000000\n0.000000 0.000000 4.264939\nBa Si Cl\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Cl"
],
"chemical_system": "Ba-Cl-Si",
"density": 3.760595148717182,
"density_atomic": 0.03833273033600715,
"volume": 104.34946754217174,
"volume_molar": 15.710179544250236,
"formula_full": "Ba1 Si1 Cl2",
"formula_reduced": "BaSiCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.51230067625,
"spacegroup": 123
},
{
"id": "jvasp-50977",
"created_at": "2022-09-04T14:35:48.804223Z",
"updated_at": "2022-09-04T14:35:48.804256Z",
"structure_string": "Li2 Cu1 Bi1 O4\n1.0\n-5.396482 0.347642 0.000000\n-1.673649 2.676006 3.156280\n-1.673649 2.676006 -3.156280\nLi Cu Bi O\n2 1 1 4\ndirect\n0.500000 0.750001 0.250001 Li\n-0.000000 0.500001 0.500001 Li\n0.500000 0.250001 0.750001 Cu\n0.000000 0.000000 0.000000 Bi\n0.970810 0.014595 0.514595 O\n0.510775 0.744613 0.744613 O\n0.489225 0.255388 0.255388 O\n0.029190 0.485406 0.985406 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-Li-O",
"density": 6.650852881716777,
"density_atomic": 0.09144220644986972,
"volume": 87.48695280429115,
"volume_molar": 6.585734305636476,
"formula_full": "Li2 Cu1 Bi1 O4",
"formula_reduced": "Li2CuBiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.50479609375,
"spacegroup": 119
},
{
"id": "jvasp-62894",
"created_at": "2022-09-04T14:35:48.804758Z",
"updated_at": "2022-09-04T14:35:48.804768Z",
"structure_string": "Er4 Mn4 B16\n1.0\n3.399588 0.000000 0.000000\n0.000000 5.872711 -0.000000\n0.000000 0.000000 11.350585\nEr Mn B\n4 4 16\ndirect\n0.000000 0.126130 0.849601 Er\n0.000000 0.873870 0.150399 Er\n0.000000 0.373870 0.349601 Er\n0.000000 0.626130 0.650399 Er\n0.000000 0.127781 0.583834 Mn\n0.000000 0.872219 0.416166 Mn\n0.000000 0.372219 0.083834 Mn\n0.000000 0.627781 0.916165 Mn\n0.500000 0.524850 0.191428 B\n0.500000 0.475150 0.808572 B\n0.500000 0.887467 0.546621 B\n0.500000 0.112533 0.453379 B\n0.500000 0.612533 0.046621 B\n0.500000 0.387467 0.953378 B\n0.500000 0.862414 0.967996 B\n0.500000 0.782057 0.816043 B\n0.500000 0.637585 0.467997 B\n0.500000 0.362415 0.532003 B\n0.500000 0.024850 0.308572 B\n0.500000 0.217942 0.183956 B\n0.500000 0.717942 0.316043 B\n0.500000 0.282058 0.683956 B\n0.500000 0.137585 0.032003 B\n0.500000 0.975150 0.691427 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Mn",
"B"
],
"chemical_system": "B-Er-Mn",
"density": 7.780258109238841,
"density_atomic": 0.1059078323757189,
"volume": 226.61213492555999,
"volume_molar": 5.686209060190976,
"formula_full": "Er4 Mn4 B16",
"formula_reduced": "ErMnB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.233027929118775,
"spacegroup": 55
},
{
"id": "jvasp-50720",
"created_at": "2022-09-04T14:35:48.805271Z",
"updated_at": "2022-09-04T14:35:48.805291Z",
"structure_string": "Li6 Cu2 F8\n1.0\n2.843226 -0.001044 0.392161\n-1.422363 -2.484939 -0.197788\n-2.785888 0.015824 -21.579442\nLi Cu F\n6 2 8\ndirect\n0.000612 0.999392 -0.000007 Li\n0.999386 0.000648 0.500006 Li\n0.886606 0.333820 0.610615 Li\n0.446693 0.332725 0.889385 Li\n0.554478 0.666158 0.110606 Li\n0.112232 0.667375 0.389395 Li\n0.500009 0.000117 0.249998 Cu\n0.499993 -0.000077 0.750001 Cu\n0.676729 0.000669 0.338095 F\n0.777068 0.332769 0.055061 F\n0.556292 0.334015 0.444940 F\n0.677769 -0.000609 0.838093 F\n0.323314 -0.000428 0.161902 F\n0.442527 0.667237 0.555073 F\n0.322186 0.000440 0.661909 F\n0.224118 0.666053 0.944927 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.5557100049608104,
"density_atomic": 0.1068228349994266,
"volume": 149.78070934071243,
"volume_molar": 5.637503217390107,
"formula_full": "Li6 Cu2 F8",
"formula_reduced": "Li3CuF4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.1219312853124999,
"spacegroup": 194
},
{
"id": "jvasp-67510",
"created_at": "2022-09-04T14:35:48.808684Z",
"updated_at": "2022-09-04T14:35:48.808720Z",
"structure_string": "Be1 Co1 Br1\n1.0\n-1.561982 1.561982 4.596208\n1.561982 -1.561982 4.596208\n1.561982 1.561982 -4.596208\nBe Co Br\n1 1 1\ndirect\n0.048600 0.048600 0.000000 Be\n0.607066 0.607066 0.000000 Co\n0.344334 0.344334 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Co",
"Br"
],
"chemical_system": "Be-Br-Co",
"density": 5.473396132622762,
"density_atomic": 0.06688204433343951,
"volume": 44.85508823629166,
"volume_molar": 9.004121838705618,
"formula_full": "Be1 Co1 Br1",
"formula_reduced": "BeCoBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.659127035,
"spacegroup": 107
}
]
}