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=-updated_at&page=3798",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=3796",
"results": [
{
"id": "jvasp-65660",
"created_at": "2022-09-04T14:36:08.772967Z",
"updated_at": "2022-09-04T14:36:08.772985Z",
"structure_string": "Ba2 Y1 Cu1\n1.0\n-0.000000 4.180858 4.180858\n4.180858 0.000000 4.180858\n4.180858 4.180858 0.000000\nBa Y Cu\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cu"
],
"chemical_system": "Ba-Cu-Y",
"density": 4.852419841409386,
"density_atomic": 0.027367412852512027,
"volume": 146.15923037945635,
"volume_molar": 22.00478646795886,
"formula_full": "Ba2 Y1 Cu1",
"formula_reduced": "Ba2YCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.60233196,
"spacegroup": 225
},
{
"id": "jvasp-75494",
"created_at": "2022-09-04T14:36:08.771408Z",
"updated_at": "2022-09-04T14:36:08.771438Z",
"structure_string": "As1 Pd1 Cl1\n1.0\n-0.000000 3.164373 3.164373\n3.164373 0.000000 3.164373\n3.164373 3.164373 0.000000\nAs Pd Cl\n1 1 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"As",
"Pd",
"Cl"
],
"chemical_system": "As-Cl-Pd",
"density": 5.6807352762414,
"density_atomic": 0.04733999942661695,
"volume": 63.37135691457672,
"volume_molar": 12.721041049726011,
"formula_full": "As1 Pd1 Cl1",
"formula_reduced": "AsPdCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4198171725000002,
"spacegroup": 216
},
{
"id": "jvasp-5266",
"created_at": "2022-09-04T14:36:08.769338Z",
"updated_at": "2022-09-04T14:36:08.769358Z",
"structure_string": "Sr4 In2 I10\n1.0\n8.062741 -0.000000 -4.207665\n-2.195834 7.757970 -4.207665\n0.022533 0.029796 9.871935\nSr In I\n4 2 10\ndirect\n0.845332 0.345332 0.000001 Sr\n0.654669 0.845332 0.000001 Sr\n0.154669 0.654668 0.000001 Sr\n0.345332 0.154668 0.000000 Sr\n0.750000 0.750000 0.500001 In\n0.250000 0.250000 0.500001 In\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000001 I\n0.509986 0.009987 0.718374 I\n0.708387 0.509987 0.718374 I\n0.009986 0.208387 0.718374 I\n0.291613 0.490014 0.281627 I\n0.990014 0.791613 0.281628 I\n0.791613 0.291613 0.281628 I\n0.490014 0.990014 0.281628 I\n0.208387 0.708387 0.718374 I\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"In",
"I"
],
"chemical_system": "I-In-Sr",
"density": 4.956454257023396,
"density_atomic": 0.02582660573879694,
"volume": 619.5161749793806,
"volume_molar": 23.31758505514137,
"formula_full": "Sr4 In2 I10",
"formula_reduced": "Sr2InI5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-99426",
"created_at": "2022-09-04T14:36:08.767460Z",
"updated_at": "2022-09-04T14:36:08.767488Z",
"structure_string": "Li1 Pr2 Rh1\n1.0\n4.436047 -0.000000 2.561153\n1.478682 4.182345 2.561153\n-0.000000 -0.000000 5.122306\nLi Pr Rh\n1 2 1\ndirect\n0.500000 0.500001 0.500000 Li\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750001 0.749999 Pr\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pr",
"Rh"
],
"chemical_system": "Li-Pr-Rh",
"density": 6.8435083308642115,
"density_atomic": 0.04208995666663343,
"volume": 95.03454783005223,
"volume_molar": 14.307785602388178,
"formula_full": "Li1 Pr2 Rh1",
"formula_reduced": "LiPr2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.657483175,
"spacegroup": 225
},
{
"id": "jvasp-64346",
"created_at": "2022-09-04T14:36:08.759079Z",
"updated_at": "2022-09-04T14:36:08.759100Z",
"structure_string": "Ba2 Na1 Hf1\n1.0\n0.000000 4.262381 4.262381\n4.262381 -0.000000 4.262381\n4.262381 4.262381 0.000000\nBa Na Hf\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Hf"
],
"chemical_system": "Ba-Hf-Na",
"density": 5.104947551738468,
"density_atomic": 0.02582695429152104,
"volume": 154.87695354435175,
"volume_molar": 23.317270368101678,
"formula_full": "Ba2 Na1 Hf1",
"formula_reduced": "Ba2NaHf",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.225653485,
"spacegroup": 225
},
{
"id": "jvasp-96441",
"created_at": "2022-09-04T14:36:08.758921Z",
"updated_at": "2022-09-04T14:36:08.758958Z",
"structure_string": "Na4 Li2 B10 P4 O28\n1.0\n7.429393 0.000000 -3.581858\n0.000000 9.215722 0.000000\n-0.004434 0.000000 8.389570\nNa Li B P O\n4 2 10 4 28\ndirect\n0.603289 0.250000 0.537186 Na\n0.396711 0.750000 0.462814 Na\n0.837799 0.250000 0.961554 Na\n0.162201 0.750000 0.038446 Na\n0.016208 0.250000 0.716732 Li\n0.983793 0.750000 0.283268 Li\n0.391103 0.750000 0.799627 B\n0.608898 0.250000 0.200372 B\n0.584259 0.750000 0.116223 B\n0.415742 0.250000 0.883776 B\n0.053363 0.750000 0.649077 B\n0.277096 0.250000 0.095496 B\n0.722905 0.750000 0.904504 B\n0.733540 0.750000 0.454763 B\n0.266460 0.250000 0.545237 B\n0.946637 0.250000 0.350923 B\n0.151284 0.056454 0.272181 P\n0.848716 0.556454 0.727819 P\n0.151284 0.443546 0.272181 P\n0.848716 0.943546 0.727819 P\n0.846196 0.106129 0.733023 O\n0.229084 0.750000 0.655564 O\n0.770916 0.250000 0.344436 O\n0.539826 0.750000 0.768572 O\n0.460174 0.250000 0.231427 O\n0.734147 0.750000 0.084399 O\n0.265853 0.250000 0.915601 O\n0.913311 0.750000 0.471101 O\n0.086689 0.250000 0.528899 O\n0.588261 0.750000 0.279639 O\n0.411739 0.250000 0.720361 O\n0.153804 0.606128 0.266976 O\n0.846196 0.393871 0.733023 O\n0.297846 0.117828 0.450855 O\n0.181454 0.117583 0.112663 O\n0.818546 0.617583 0.887336 O\n0.818546 0.882417 0.887336 O\n0.181454 0.382417 0.112663 O\n0.034910 0.617817 0.750479 O\n0.965090 0.117817 0.249521 O\n0.965090 0.382183 0.249521 O\n0.034910 0.882183 0.750479 O\n0.588562 0.250000 0.026134 O\n0.702154 0.617828 0.549145 O\n0.702154 0.882172 0.549145 O\n0.297846 0.382172 0.450855 O\n0.153804 0.893871 0.266976 O\n0.411438 0.750000 0.973866 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Li",
"B",
"P",
"O"
],
"chemical_system": "B-Li-Na-O-P",
"density": 2.272299665682169,
"density_atomic": 0.08358522444264303,
"volume": 574.2641755175049,
"volume_molar": 7.204791038316168,
"formula_full": "Na4 Li2 B10 P4 O28",
"formula_reduced": "Na2LiB5(PO7)2",
"formula_anonymous": "AB2C2D5E14",
"energy_above_hull": 3.1577787881944444,
"spacegroup": 11
},
{
"id": "jvasp-71724",
"created_at": "2022-09-04T14:36:08.756099Z",
"updated_at": "2022-09-04T14:36:08.756122Z",
"structure_string": "Be1 Fe2 Ni1\n1.0\n-1.668249 1.668249 3.706289\n1.668249 -1.668249 3.706289\n1.668249 1.668249 -3.706289\nBe Fe Ni\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Ni"
],
"chemical_system": "Be-Fe-Ni",
"density": 7.220043638648966,
"density_atomic": 0.09694802651341203,
"volume": 41.25922046950208,
"volume_molar": 6.211720832880371,
"formula_full": "Be1 Fe2 Ni1",
"formula_reduced": "BeFe2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.413062375,
"spacegroup": 139
},
{
"id": "jvasp-89098",
"created_at": "2022-09-04T14:36:08.754081Z",
"updated_at": "2022-09-04T14:36:08.754118Z",
"structure_string": "Zr6 Ga2 Co1\n1.0\n7.817783 -0.000000 0.000000\n-3.908892 6.770399 -0.000000\n0.000000 -0.000000 3.367121\nZr Ga Co\n6 2 1\ndirect\n0.249884 0.000000 0.000000 Zr\n0.750116 0.750116 0.000000 Zr\n0.000000 0.249884 0.000000 Zr\n0.000000 0.594466 0.500000 Zr\n0.405534 0.405534 0.500000 Zr\n0.594465 0.000000 0.500000 Zr\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Zr",
"density": 6.948165437252426,
"density_atomic": 0.05049936427312676,
"volume": 178.2200653323739,
"volume_molar": 11.925181329866133,
"formula_full": "Zr6 Ga2 Co1",
"formula_reduced": "Zr6Ga2Co",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.671644727777779,
"spacegroup": 189
},
{
"id": "jvasp-74003",
"created_at": "2022-09-04T14:36:08.752708Z",
"updated_at": "2022-09-04T14:36:08.752745Z",
"structure_string": "K1 Be1 Te2\n1.0\n3.672030 0.000000 -0.000000\n0.000000 3.672030 0.000000\n0.000000 0.000000 8.730414\nK Be Te\n1 1 2\ndirect\n0.500000 0.500000 0.223334 K\n0.000000 0.000000 0.696695 Be\n0.000000 0.000000 0.970715 Te\n0.500000 0.500000 0.609255 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Te"
],
"chemical_system": "Be-K-Te",
"density": 4.278477344993655,
"density_atomic": 0.03397916570377796,
"volume": 117.71919401644584,
"volume_molar": 17.723038913019668,
"formula_full": "K1 Be1 Te2",
"formula_reduced": "KBeTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6138074083333334,
"spacegroup": 99
},
{
"id": "jvasp-69740",
"created_at": "2022-09-04T14:36:08.750566Z",
"updated_at": "2022-09-04T14:36:08.750591Z",
"structure_string": "Be2 Pd1 Se1\n1.0\n3.162286 0.000000 -0.000000\n0.000000 3.162286 0.000000\n0.000000 -0.000000 5.169052\nBe Pd Se\n2 1 1\ndirect\n0.000000 0.000000 0.756702 Be\n0.000000 0.000000 0.243297 Be\n0.500001 0.500001 0.000000 Pd\n0.500001 0.500001 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pd",
"Se"
],
"chemical_system": "Be-Pd-Se",
"density": 6.534256401398341,
"density_atomic": 0.07738322040081788,
"volume": 51.6907926457623,
"volume_molar": 7.782230732718834,
"formula_full": "Be2 Pd1 Se1",
"formula_reduced": "Be2PdSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.673452816666667,
"spacegroup": 123
},
{
"id": "jvasp-74912",
"created_at": "2022-09-04T14:36:08.747967Z",
"updated_at": "2022-09-04T14:36:08.747996Z",
"structure_string": "Be2 Cu1 Ni1\n1.0\n-1.612779 1.612779 3.691944\n1.612779 -1.612779 3.691944\n1.612779 1.612779 -3.691944\nBe Cu Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Cu\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Ni"
],
"chemical_system": "Be-Cu-Ni",
"density": 6.063589197224903,
"density_atomic": 0.10413462929491284,
"volume": 38.41181389018885,
"volume_molar": 5.783033752341011,
"formula_full": "Be2 Cu1 Ni1",
"formula_reduced": "Be2CuNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0289062625,
"spacegroup": 119
},
{
"id": "jvasp-69033",
"created_at": "2022-09-04T14:36:08.743166Z",
"updated_at": "2022-09-04T14:36:08.743176Z",
"structure_string": "K1 Ba1 Tl2\n1.0\n4.215079 -0.000000 0.000000\n-0.000000 4.215079 -0.000000\n-0.000000 0.000000 8.522357\nK Ba Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.755707 Tl\n0.000000 0.000000 0.244293 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Tl"
],
"chemical_system": "Ba-K-Tl",
"density": 6.417653180684626,
"density_atomic": 0.026417324516146208,
"volume": 151.4157876796043,
"volume_molar": 22.796179667321272,
"formula_full": "K1 Ba1 Tl2",
"formula_reduced": "KBaTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.250000000001087e-05,
"spacegroup": 123
}
]
}