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=58",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=56",
"results": [
{
"id": "jvasp-70767",
"created_at": "2022-09-04T14:36:12.484931Z",
"updated_at": "2022-09-04T14:36:12.484960Z",
"structure_string": "Li1 Be1 Zn2\n1.0\n2.935418 0.000000 0.000000\n0.000000 2.935418 0.000000\n-0.000000 0.000000 5.803885\nLi Be Zn\n1 1 2\ndirect\n0.500000 0.500000 0.733693 Li\n0.000000 0.000000 0.502995 Be\n0.000000 0.000000 0.980721 Zn\n0.500000 0.500000 0.282593 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Zn"
],
"chemical_system": "Be-Li-Zn",
"density": 4.873390188791927,
"density_atomic": 0.07998366247524008,
"volume": 50.0102130386721,
"volume_molar": 7.529213558911767,
"formula_full": "Li1 Be1 Zn2",
"formula_reduced": "LiBeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-69111",
"created_at": "2022-09-04T14:36:12.474186Z",
"updated_at": "2022-09-04T14:36:12.474206Z",
"structure_string": "Ba2 Pb1 Br1\n1.0\n-0.000000 4.240894 4.240894\n4.240894 -0.000000 4.240894\n4.240894 4.240894 -0.000000\nBa Pb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"Br"
],
"chemical_system": "Ba-Br-Pb",
"density": 6.1149951252371,
"density_atomic": 0.02622151275361825,
"volume": 152.54650018039285,
"volume_molar": 22.966412413292282,
"formula_full": "Ba2 Pb1 Br1",
"formula_reduced": "Ba2PbBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-93163",
"created_at": "2022-09-04T14:35:53.081947Z",
"updated_at": "2022-09-04T14:35:53.081976Z",
"structure_string": "Li1 Mg6 Bi1\n1.0\n6.468075 0.021208 0.000000\n-3.215671 5.612120 0.000000\n0.000000 0.000000 5.112544\nLi Mg Bi\n1 6 1\ndirect\n0.164034 0.335966 0.250000 Li\n0.160680 0.814007 0.250000 Mg\n0.685993 0.339320 0.250000 Mg\n0.664517 0.835482 0.250000 Mg\n0.333203 0.666110 0.749999 Mg\n0.833889 0.166798 0.749999 Mg\n0.830795 0.669205 0.749999 Mg\n0.326887 0.173113 0.749999 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Bi"
],
"chemical_system": "Bi-Li-Mg",
"density": 3.230762978845626,
"density_atomic": 0.04302647492732054,
"volume": 185.93203402122623,
"volume_molar": 13.996361008361664,
"formula_full": "Li1 Mg6 Bi1",
"formula_reduced": "LiMg6Bi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-74934",
"created_at": "2022-09-04T14:35:46.450524Z",
"updated_at": "2022-09-04T14:35:46.450539Z",
"structure_string": "Be1 Tl1 Hg2\n1.0\n-2.249986 2.249986 4.611292\n2.249986 -2.249986 4.611292\n2.249986 2.249986 -4.611292\nBe Tl Hg\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Hg\n0.250000 0.750001 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Hg"
],
"chemical_system": "Be-Hg-Tl",
"density": 10.929041650988317,
"density_atomic": 0.04283687139793783,
"volume": 93.37750095803123,
"volume_molar": 14.058311364657476,
"formula_full": "Be1 Tl1 Hg2",
"formula_reduced": "BeTlHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 119
},
{
"id": "jvasp-88650",
"created_at": "2022-09-04T14:35:47.240450Z",
"updated_at": "2022-09-04T14:35:47.240481Z",
"structure_string": "Hg12 Cl16 O4\n1.0\n9.316908 -0.000000 -0.000000\n0.000000 9.316908 -0.000000\n0.000000 -0.000000 9.316908\nHg Cl O\n12 16 4\ndirect\n0.229864 0.176338 0.515717 Hg\n0.176338 0.515717 0.229864 Hg\n0.323662 0.484283 0.729864 Hg\n0.015717 0.270136 0.823662 Hg\n0.823662 0.015717 0.270136 Hg\n0.984283 0.770136 0.676338 Hg\n0.484283 0.729864 0.323662 Hg\n0.676338 0.984283 0.770136 Hg\n0.729864 0.323662 0.484283 Hg\n0.770136 0.676338 0.984283 Hg\n0.270136 0.823662 0.015717 Hg\n0.515717 0.229864 0.176338 Hg\n0.479028 0.666968 0.804032 Cl\n0.020972 0.333032 0.304032 Cl\n0.333032 0.304032 0.020972 Cl\n0.304032 0.020972 0.333032 Cl\n0.927755 0.072245 0.572245 Cl\n0.427755 0.427755 0.427755 Cl\n0.572245 0.927755 0.072245 Cl\n0.833032 0.195968 0.979029 Cl\n0.979029 0.833032 0.195968 Cl\n0.166968 0.695969 0.520972 Cl\n0.666968 0.804032 0.479028 Cl\n0.520972 0.166968 0.695969 Cl\n0.804032 0.479028 0.666968 Cl\n0.695969 0.520972 0.166968 Cl\n0.195968 0.979029 0.833032 Cl\n0.072245 0.572245 0.927755 Cl\n0.674257 0.174257 0.325743 O\n0.325743 0.674257 0.174257 O\n0.174257 0.325743 0.674257 O\n0.825744 0.825744 0.825744 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Hg",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 6.238324893351833,
"density_atomic": 0.039567130661555906,
"volume": 808.7520996586125,
"volume_molar": 15.220059325280351,
"formula_full": "Hg12 Cl16 O4",
"formula_reduced": "Hg3Cl4O",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 198
},
{
"id": "jvasp-88654",
"created_at": "2022-09-04T14:36:02.660133Z",
"updated_at": "2022-09-04T14:36:02.660156Z",
"structure_string": "Tl8 Hg2 Br12\n1.0\n8.825389 0.000000 0.000000\n-0.000000 8.929299 0.000000\n0.000000 0.000000 8.929299\nTl Hg Br\n8 2 12\ndirect\n0.750000 0.148059 0.351941 Tl\n0.250000 0.148059 0.351941 Tl\n0.250000 0.648059 0.148059 Tl\n0.250000 0.351941 0.851941 Tl\n0.250000 0.851941 0.648059 Tl\n0.750000 0.851941 0.648059 Tl\n0.750000 0.351941 0.851941 Tl\n0.750000 0.648059 0.148059 Tl\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.207586 0.500000 0.500000 Br\n0.500000 0.358675 0.177943 Br\n0.792414 0.500000 0.500000 Br\n0.000000 0.322058 0.141325 Br\n0.000000 0.858675 0.322058 Br\n0.000000 0.141325 0.677943 Br\n0.000000 0.677943 0.858675 Br\n0.500000 0.822058 0.358675 Br\n0.500000 0.177943 0.641325 Br\n0.500000 0.641325 0.822058 Br\n0.707586 0.000000 0.000000 Br\n0.292414 0.000000 0.000000 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-Tl",
"density": 7.06791021901559,
"density_atomic": 0.03126468752098755,
"volume": 703.6692749681795,
"volume_molar": 19.261797374297824,
"formula_full": "Tl8 Hg2 Br12",
"formula_reduced": "Tl4HgBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-69272",
"created_at": "2022-09-04T14:35:41.598843Z",
"updated_at": "2022-09-04T14:35:41.598866Z",
"structure_string": "Ba2 Mg1 Sn1\n1.0\n0.000000 4.254230 4.254230\n4.254230 0.000000 4.254230\n4.254230 4.254230 0.000000\nBa Mg Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sn"
],
"chemical_system": "Ba-Mg-Sn",
"density": 4.503896966519163,
"density_atomic": 0.025975690329221056,
"volume": 153.9901326703239,
"volume_molar": 23.18375636479413,
"formula_full": "Ba2 Mg1 Sn1",
"formula_reduced": "Ba2MgSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-3798",
"created_at": "2022-09-04T14:35:45.745424Z",
"updated_at": "2022-09-04T14:35:45.745449Z",
"structure_string": "Na1 Bi1 F6\n1.0\n4.824248 0.092911 3.592553\n1.855270 4.454208 3.592553\n0.136481 0.092910 6.013416\nNa Bi F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.395780 0.763228 0.072895 F\n0.072895 0.395781 0.763228 F\n0.763228 0.072895 0.395780 F\n0.604220 0.236773 0.927105 F\n0.927105 0.604220 0.236772 F\n0.236772 0.927105 0.604219 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Bi",
"F"
],
"chemical_system": "Bi-F-Na",
"density": 4.593954422009585,
"density_atomic": 0.06397362267297932,
"volume": 125.05153945860529,
"volume_molar": 9.413474660930191,
"formula_full": "Na1 Bi1 F6",
"formula_reduced": "NaBiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-91887",
"created_at": "2022-09-04T14:35:57.112745Z",
"updated_at": "2022-09-04T14:35:57.112769Z",
"structure_string": "Mg7 Ni1\n1.0\n6.180831 -0.000000 -0.000000\n-3.090416 5.352756 0.000000\n-0.000000 -0.000000 4.852645\nMg Ni\n7 1\ndirect\n0.166241 0.833121 0.250000 Mg\n0.666879 0.333758 0.250000 Mg\n0.666879 0.833121 0.250000 Mg\n0.324322 0.175678 0.750001 Mg\n0.324322 0.648644 0.750001 Mg\n0.851356 0.175678 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 2.366770700144842,
"density_atomic": 0.04982957118204395,
"volume": 160.54723751832714,
"volume_molar": 12.08547578705649,
"formula_full": "Mg7 Ni1",
"formula_reduced": "Mg7Ni",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-106133",
"created_at": "2022-09-04T14:35:49.899552Z",
"updated_at": "2022-09-04T14:35:49.899578Z",
"structure_string": "Ba1 In1 Ge1\n1.0\n4.636418 0.000000 0.000000\n-2.318209 4.015256 0.000000\n-0.000000 -0.000000 5.169116\nBa In Ge\n1 1 1\ndirect\n0.000000 0.000000 0.012784 Ba\n0.333333 0.666668 0.561055 In\n0.666667 0.333333 0.426163 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"In",
"Ge"
],
"chemical_system": "Ba-Ge-In",
"density": 5.604449492437954,
"density_atomic": 0.03117519319312973,
"volume": 96.23035794566073,
"volume_molar": 19.317092031131775,
"formula_full": "Ba1 In1 Ge1",
"formula_reduced": "BaInGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 156
},
{
"id": "jvasp-64584",
"created_at": "2022-09-04T14:35:41.603769Z",
"updated_at": "2022-09-04T14:35:41.603796Z",
"structure_string": "Ba4 Na1 Ge1\n1.0\n0.000000 5.104615 5.104615\n5.104615 -0.000000 5.104615\n5.104615 5.104615 0.000000\nBa Na Ge\n4 1 1\ndirect\n0.131019 0.622995 0.622995 Ba\n0.622995 0.622995 0.622995 Ba\n0.622995 0.131019 0.622995 Ba\n0.622995 0.622995 0.131019 Ba\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Ge"
],
"chemical_system": "Ba-Ge-Na",
"density": 4.025760515088669,
"density_atomic": 0.022554451903188284,
"volume": 266.0228688222676,
"volume_molar": 26.70045269044518,
"formula_full": "Ba4 Na1 Ge1",
"formula_reduced": "Ba4NaGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-14902",
"created_at": "2022-09-04T14:36:49.287408Z",
"updated_at": "2022-09-04T14:36:49.287432Z",
"structure_string": "Ba1 Rh1 F6\n1.0\n4.907763 -0.016656 -0.697141\n-0.800852 4.842009 -0.697141\n-0.014176 -0.016656 4.957009\nBa Rh F\n1 1 6\ndirect\n0.499999 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Rh\n0.719040 0.719040 0.073017 F\n0.719040 0.073015 0.719041 F\n0.280959 0.926983 0.280960 F\n0.280958 0.280958 0.926984 F\n0.926983 0.280958 0.280959 F\n0.073016 0.719040 0.719041 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"F"
],
"chemical_system": "Ba-F-Rh",
"density": 5.001065930208418,
"density_atomic": 0.06801846263405367,
"volume": 117.61512522035117,
"volume_molar": 8.853685494774759,
"formula_full": "Ba1 Rh1 F6",
"formula_reduced": "BaRhF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
}
]
}