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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3826",
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{
"id": "jvasp-81475",
"created_at": "2022-09-04T14:37:11.398273Z",
"updated_at": "2022-09-04T14:37:11.398291Z",
"structure_string": "Ba1 Mg1 Hg2\n1.0\n-10.802033 0.000001 -6.236557\n-7.170864 0.211441 -0.052813\n-6.090639 3.266777 -1.923817\nBa Mg Hg\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.776707 -0.000001 -0.000000 Hg\n0.223293 -0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Hg"
],
"chemical_system": "Ba-Hg-Mg",
"density": 6.647306613007373,
"density_atomic": 0.028450719680634468,
"volume": 140.59398303104007,
"volume_molar": 21.166918895549372,
"formula_full": "Ba1 Mg1 Hg2",
"formula_reduced": "BaMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-69263",
"created_at": "2022-09-04T14:36:19.194272Z",
"updated_at": "2022-09-04T14:36:19.194297Z",
"structure_string": "Ba1 Li1 Hg2\n1.0\n5.456563 0.000000 0.000000\n0.000000 5.456563 0.000000\n0.000000 0.000000 4.077712\nBa Li Hg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Hg"
],
"chemical_system": "Ba-Hg-Li",
"density": 7.460149903893517,
"density_atomic": 0.0329461820943318,
"volume": 121.41012237919297,
"volume_molar": 18.278721166408157,
"formula_full": "Ba1 Li1 Hg2",
"formula_reduced": "BaLiHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-77001",
"created_at": "2022-09-04T14:38:08.304635Z",
"updated_at": "2022-09-04T14:38:08.304661Z",
"structure_string": "Ba2 Li1 Hg1\n1.0\n-12.430218 -7.508740 -1.045727\n-8.945695 -4.376201 2.611130\n-5.910996 0.299013 0.545918\nBa Li Hg\n2 1 1\ndirect\n0.749989 0.000009 0.999991 Ba\n0.250012 0.999990 0.000011 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Hg"
],
"chemical_system": "Ba-Hg-Li",
"density": 5.392844962154132,
"density_atomic": 0.026941088146808574,
"volume": 148.4721024705098,
"volume_molar": 22.352997500263847,
"formula_full": "Ba2 Li1 Hg1",
"formula_reduced": "Ba2LiHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-81391",
"created_at": "2022-09-04T14:37:17.436511Z",
"updated_at": "2022-09-04T14:37:17.436525Z",
"structure_string": "Ba2 Li1 Hg1\n1.0\n-17.459022 0.000006 -10.079975\n-7.320859 0.483225 -7.479846\n-8.487752 -2.817252 -5.458725\nBa Li Hg\n2 1 1\ndirect\n0.662612 0.000001 -0.000001 Ba\n0.337387 0.000001 -0.000000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000001 -0.000001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Hg"
],
"chemical_system": "Ba-Hg-Li",
"density": 4.860864014855985,
"density_atomic": 0.0242834657426486,
"volume": 164.7211333996232,
"volume_molar": 24.799346286981706,
"formula_full": "Ba2 Li1 Hg1",
"formula_reduced": "Ba2LiHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0391425,
"spacegroup": 139
},
{
"id": "jvasp-85028",
"created_at": "2022-09-04T14:37:01.360364Z",
"updated_at": "2022-09-04T14:37:01.360391Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n-14.379136 1.121874 1.348663\n-11.579171 0.957434 4.481646\n-9.362480 3.671412 2.642225\nK Ba Hg\n1 1 2\ndirect\n0.000001 -0.000001 0.999999 K\n0.500001 1.000001 0.999997 Ba\n0.753419 0.007865 0.977605 Hg\n0.246583 0.992136 0.022392 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg-K",
"density": 6.743856951482075,
"density_atomic": 0.028124711349542215,
"volume": 142.22368188198695,
"volume_molar": 21.41227579246968,
"formula_full": "K1 Ba1 Hg2",
"formula_reduced": "KBaHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-65688",
"created_at": "2022-09-04T14:36:10.616143Z",
"updated_at": "2022-09-04T14:36:10.616157Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n4.147563 0.000000 0.000000\n-0.000000 4.147563 0.000000\n-0.000000 0.000000 8.354752\nK Ba Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.735980 Hg\n0.000000 0.000000 0.264020 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg-K",
"density": 6.673608429302075,
"density_atomic": 0.02783174555515208,
"volume": 143.72077353443393,
"volume_molar": 21.637668209011096,
"formula_full": "K1 Ba1 Hg2",
"formula_reduced": "KBaHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0011375,
"spacegroup": 123
},
{
"id": "jvasp-64776",
"created_at": "2022-09-04T14:36:17.303055Z",
"updated_at": "2022-09-04T14:36:17.303082Z",
"structure_string": "K1 Ba1 Hg1\n1.0\n0.000000 4.082941 4.082941\n4.082941 -0.000000 4.082941\n4.082941 4.082941 0.000000\nK Ba Hg\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg-K",
"density": 4.598950806634185,
"density_atomic": 0.022037988205336163,
"volume": 136.1285781645711,
"volume_molar": 27.326181972190323,
"formula_full": "K1 Ba1 Hg1",
"formula_reduced": "KBaHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0082439949999998,
"spacegroup": 216
},
{
"id": "jvasp-66474",
"created_at": "2022-09-04T14:36:16.433008Z",
"updated_at": "2022-09-04T14:36:16.433029Z",
"structure_string": "Ba4 Hg1 Ir1\n1.0\n0.000000 4.765665 4.765665\n4.765665 0.000000 4.765665\n4.765665 4.765665 0.000000\nBa Hg Ir\n4 1 1\ndirect\n0.122256 0.625915 0.625915 Ba\n0.625915 0.625915 0.625915 Ba\n0.625915 0.122256 0.625915 Ba\n0.625915 0.625915 0.122256 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Ir"
],
"chemical_system": "Ba-Hg-Ir",
"density": 7.226907376081732,
"density_atomic": 0.027717287269571036,
"volume": 216.47140074155095,
"volume_molar": 21.727020762999807,
"formula_full": "Ba4 Hg1 Ir1",
"formula_reduced": "Ba4HgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4840815966666665,
"spacegroup": 216
},
{
"id": "jvasp-69175",
"created_at": "2022-09-04T14:36:13.106676Z",
"updated_at": "2022-09-04T14:36:13.106701Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n0.000000 4.211182 4.211182\n4.211182 -0.000000 4.211182\n4.211182 4.211182 -0.000000\nBa In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 6.560013225142113,
"density_atomic": 0.026780455642233914,
"volume": 149.36265661185504,
"volume_molar": 22.487073560103394,
"formula_full": "Ba2 In1 Hg1",
"formula_reduced": "Ba2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0075325,
"spacegroup": 225
},
{
"id": "jvasp-81697",
"created_at": "2022-09-04T14:37:08.826123Z",
"updated_at": "2022-09-04T14:37:08.826141Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-13.934123 3.105310 -2.973771\n-10.251670 0.561617 0.953899\n-8.532443 5.424220 -2.024016\nBa In Hg\n2 1 1\ndirect\n0.750093 -0.000078 -0.000078 Ba\n0.249907 1.000077 1.000079 Ba\n0.000000 -0.000000 -0.000000 In\n0.500000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 6.560937090184789,
"density_atomic": 0.026784227208836858,
"volume": 149.34162441245604,
"volume_molar": 22.483907088471565,
"formula_full": "Ba2 In1 Hg1",
"formula_reduced": "Ba2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0074525,
"spacegroup": 225
},
{
"id": "jvasp-66688",
"created_at": "2022-09-04T14:36:13.595416Z",
"updated_at": "2022-09-04T14:36:13.595441Z",
"structure_string": "Ba1 In1 Hg1\n1.0\n-0.000000 3.937620 3.937620\n3.937620 0.000000 3.937620\n3.937620 3.937620 0.000000\nBa In Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 6.156895256732905,
"density_atomic": 0.024569134191150546,
"volume": 122.10442487145345,
"volume_molar": 24.51100113315792,
"formula_full": "Ba1 In1 Hg1",
"formula_reduced": "BaInHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64471",
"created_at": "2022-09-04T14:36:05.031724Z",
"updated_at": "2022-09-04T14:36:05.031760Z",
"structure_string": "Ba4 In1 Hg1\n1.0\n0.000000 5.049708 5.049708\n5.049708 -0.000000 5.049708\n5.049708 5.049708 0.000000\nBa In Hg\n4 1 1\ndirect\n0.124152 0.625283 0.625283 Ba\n0.625283 0.625283 0.625283 Ba\n0.625283 0.124152 0.625283 Ba\n0.625283 0.625283 0.124152 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 5.575628117580258,
"density_atomic": 0.02329820474774542,
"volume": 257.5305722034494,
"volume_molar": 25.84808926354193,
"formula_full": "Ba4 In1 Hg1",
"formula_reduced": "Ba4InHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}