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=-volume_molar&page=228",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=226",
"results": [
{
"id": "jvasp-12538",
"created_at": "2022-09-04T14:38:09.017438Z",
"updated_at": "2022-09-04T14:38:09.017465Z",
"structure_string": "In2 Pb4 I10\n1.0\n7.969657 -0.000000 -4.041905\n-2.049899 7.701516 -4.041905\n-0.014835 -0.019301 9.848817\nIn Pb I\n2 4 10\ndirect\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500001 In\n0.160185 0.660185 0.000001 Pb\n0.839815 0.339815 0.000001 Pb\n0.660185 0.839815 0.000001 Pb\n0.339815 0.160185 0.000000 Pb\n0.797894 0.297894 0.284996 I\n0.202106 0.702107 0.715006 I\n0.487102 0.987102 0.284996 I\n0.512898 0.012899 0.715005 I\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000001 I\n0.702106 0.512899 0.715006 I\n0.297893 0.487102 0.284996 I\n0.012898 0.202107 0.715005 I\n0.987102 0.797894 0.284996 I\n",
"nsites": 16,
"nelements": 3,
"elements": [
"In",
"Pb",
"I"
],
"chemical_system": "I-In-Pb",
"density": 6.406628135195295,
"density_atomic": 0.026522491165975548,
"volume": 603.2615827779272,
"volume_molar": 22.705788541181683,
"formula_full": "In2 Pb4 I10",
"formula_reduced": "InPb2I5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-64356",
"created_at": "2022-09-04T14:36:13.691519Z",
"updated_at": "2022-09-04T14:36:13.691553Z",
"structure_string": "Ba4 Mn1 Ni1\n1.0\n-0.000000 4.836123 4.836123\n4.836123 -0.000000 4.836123\n4.836123 4.836123 -0.000000\nBa Mn Ni\n4 1 1\ndirect\n0.124545 0.625151 0.625151 Ba\n0.625151 0.625151 0.625151 Ba\n0.625151 0.124545 0.625151 Ba\n0.625151 0.625151 0.124545 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Ni"
],
"chemical_system": "Ba-Mn-Ni",
"density": 4.866323185161907,
"density_atomic": 0.02652340279570237,
"volume": 226.21531808023477,
"volume_molar": 22.705008125789114,
"formula_full": "Ba4 Mn1 Ni1",
"formula_reduced": "Ba4MnNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0285622535632182,
"spacegroup": 216
},
{
"id": "jvasp-102362",
"created_at": "2022-09-04T14:37:02.284147Z",
"updated_at": "2022-09-04T14:37:02.284155Z",
"structure_string": "K2 Sc1 Tl1 Br6\n1.0\n7.022468 -0.000000 4.054424\n2.340823 6.620846 4.054424\n-0.000000 -0.000000 8.108847\nK Sc Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.769950 0.230050 0.230050 Br\n0.230050 0.230050 0.769950 Br\n0.230050 0.769950 0.769949 Br\n0.230050 0.769950 0.230050 Br\n0.769950 0.230050 0.769949 Br\n0.769949 0.769950 0.230050 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Tl",
"Br"
],
"chemical_system": "Br-K-Sc-Tl",
"density": 3.5541736498353593,
"density_atomic": 0.026523915681922656,
"volume": 377.0182396868155,
"volume_molar": 22.704569084814217,
"formula_full": "K2 Sc1 Tl1 Br6",
"formula_reduced": "K2ScTlBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66680",
"created_at": "2022-09-04T14:35:51.497034Z",
"updated_at": "2022-09-04T14:35:51.497059Z",
"structure_string": "Ba4 V1 Pd1\n1.0\n0.000000 4.836019 4.836019\n4.836019 -0.000000 4.836019\n4.836019 4.836019 0.000000\nBa V Pd\n4 1 1\ndirect\n0.126079 0.624641 0.624641 Ba\n0.624641 0.624641 0.624641 Ba\n0.624641 0.126079 0.624641 Ba\n0.624641 0.624641 0.126079 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"V",
"Pd"
],
"chemical_system": "Ba-Pd-V",
"density": 5.187659393781126,
"density_atomic": 0.026525114013056208,
"volume": 226.2007242286188,
"volume_molar": 22.703543355311417,
"formula_full": "Ba4 V1 Pd1",
"formula_reduced": "Ba4VPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1260789633333332,
"spacegroup": 216
},
{
"id": "jvasp-69042",
"created_at": "2022-09-04T14:36:22.022463Z",
"updated_at": "2022-09-04T14:36:22.022490Z",
"structure_string": "Ba2 Hf1 Te1\n1.0\n-0.000000 4.224422 4.224422\n4.224422 0.000000 4.224422\n4.224422 4.224422 0.000000\nBa Hf Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Te"
],
"chemical_system": "Ba-Hf-Te",
"density": 6.395904143962536,
"density_atomic": 0.026529441582329127,
"volume": 150.77588375114317,
"volume_molar": 22.699839879069522,
"formula_full": "Ba2 Hf1 Te1",
"formula_reduced": "Ba2HfTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4845356766666664,
"spacegroup": 225
},
{
"id": "jvasp-87957",
"created_at": "2022-09-04T14:35:52.480567Z",
"updated_at": "2022-09-04T14:35:52.480585Z",
"structure_string": "Tl8 Hg2 I12\n1.0\n9.305157 -0.000000 0.000000\n-0.000000 9.440187 0.000000\n0.000000 0.000000 9.440187\nTl Hg I\n8 2 12\ndirect\n0.250000 0.351978 0.851978 Tl\n0.250000 0.851978 0.648023 Tl\n0.250000 0.648023 0.148022 Tl\n0.750000 0.648023 0.148022 Tl\n0.750000 0.851978 0.648023 Tl\n0.750000 0.148022 0.351978 Tl\n0.750000 0.351978 0.851978 Tl\n0.250000 0.148022 0.351978 Tl\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.204468 0.500000 0.500000 I\n0.500000 0.358365 0.171488 I\n0.795532 0.500000 0.500000 I\n0.000000 0.328513 0.141635 I\n0.000000 0.858365 0.328513 I\n0.000000 0.141635 0.671488 I\n0.000000 0.671488 0.858365 I\n0.500000 0.828513 0.358365 I\n0.500000 0.171488 0.641636 I\n0.500000 0.641636 0.828513 I\n0.704468 0.000000 0.000000 I\n0.295532 0.000000 0.000000 I\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Hg",
"I"
],
"chemical_system": "Hg-I-Tl",
"density": 7.126961179444861,
"density_atomic": 0.026530032446828958,
"volume": 829.2488915756899,
"volume_molar": 22.69933431883083,
"formula_full": "Tl8 Hg2 I12",
"formula_reduced": "Tl4HgI6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 128
},
{
"id": "jvasp-78370",
"created_at": "2022-09-04T14:37:57.269370Z",
"updated_at": "2022-09-04T14:37:57.269399Z",
"structure_string": "Rb1 S1\n1.0\n-3.352851 -3.352851 -0.000000\n-3.352851 0.000000 -3.352851\n-0.000000 -3.352851 -3.352851\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 2.5890201030536026,
"density_atomic": 0.026531221065858333,
"volume": 75.38288550818709,
"volume_molar": 22.69831737126334,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3510175,
"spacegroup": 225
},
{
"id": "jvasp-66298",
"created_at": "2022-09-04T14:35:56.812789Z",
"updated_at": "2022-09-04T14:35:56.812820Z",
"structure_string": "Ba1 Na1 Zr1\n1.0\n0.000000 3.838017 3.838017\n3.838017 0.000000 3.838017\n3.838017 3.838017 0.000000\nBa Na Zr\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Zr"
],
"chemical_system": "Ba-Na-Zr",
"density": 3.694084321049171,
"density_atomic": 0.02653203593838709,
"volume": 113.07085543554308,
"volume_molar": 22.69762024288172,
"formula_full": "Ba1 Na1 Zr1",
"formula_reduced": "BaNaZr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.425193156666667,
"spacegroup": 216
},
{
"id": "jvasp-120262",
"created_at": "2022-09-04T14:38:46.555691Z",
"updated_at": "2022-09-04T14:38:46.555733Z",
"structure_string": "Ge1 I3\n1.0\n7.062760 0.675178 0.351602\n-3.186152 -6.563449 -1.349973\n0.951785 2.379778 -2.927313\nGe I\n1 3\ndirect\n0.336307 0.242336 0.581535 Ge\n-0.007766 -0.002922 0.012616 I\n0.335635 0.661189 0.958417 I\n0.680448 0.341330 0.014722 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"I"
],
"chemical_system": "Ge-I",
"density": 4.993623681993673,
"density_atomic": 0.026533211452696666,
"volume": 150.75446133353245,
"volume_molar": 22.69661465871274,
"formula_full": "Ge1 I3",
"formula_reduced": "GeI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-69326",
"created_at": "2022-09-04T14:35:49.351521Z",
"updated_at": "2022-09-04T14:35:49.351532Z",
"structure_string": "Ba2 Sc1 Cd1\n1.0\n0.000000 4.224059 4.224059\n4.224059 -0.000000 4.224059\n4.224059 4.224059 -0.000000\nBa Sc Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Cd"
],
"chemical_system": "Ba-Cd-Sc",
"density": 4.759199872776747,
"density_atomic": 0.026536281696234322,
"volume": 150.73701906652684,
"volume_molar": 22.69398866403571,
"formula_full": "Ba2 Sc1 Cd1",
"formula_reduced": "Ba2ScCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0818117349999999,
"spacegroup": 225
},
{
"id": "jvasp-110756",
"created_at": "2022-09-04T14:38:36.774689Z",
"updated_at": "2022-09-04T14:38:36.774701Z",
"structure_string": "Ca3 Y1\n1.0\n4.837360 -0.055639 -4.335760\n-1.001241 4.732934 -4.335760\n0.045633 0.055639 6.495905\nCa Y\n3 1\ndirect\n0.750000 0.250000 0.500000 Ca\n0.250000 0.749999 0.500000 Ca\n0.500000 0.499999 -0.000000 Ca\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Y"
],
"chemical_system": "Ca-Y",
"density": 2.3042156412536867,
"density_atomic": 0.026539774103918917,
"volume": 150.7171833617586,
"volume_molar": 22.691002328881012,
"formula_full": "Ca3 Y1",
"formula_reduced": "Ca3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4286841775000001,
"spacegroup": 139
},
{
"id": "jvasp-4077",
"created_at": "2022-09-04T14:36:42.704844Z",
"updated_at": "2022-09-04T14:36:42.704876Z",
"structure_string": "K4 Hg1 As2\n1.0\n5.512640 0.031386 8.217608\n2.524229 4.900862 8.217608\n0.051142 0.031386 9.895235\nK Hg As\n4 1 2\ndirect\n0.207540 0.207540 0.207540 K\n0.792460 0.792461 0.792460 K\n0.387920 0.387921 0.387920 K\n0.612079 0.612080 0.612079 K\n0.000000 0.000000 0.000000 Hg\n0.909822 0.909824 0.909823 As\n0.090177 0.090177 0.090177 As\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Hg",
"As"
],
"chemical_system": "As-Hg-K",
"density": 3.191097586737743,
"density_atomic": 0.026541764985033228,
"volume": 263.7352867809381,
"volume_molar": 22.68930029105395,
"formula_full": "K4 Hg1 As2",
"formula_reduced": "K4HgAs2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 166
}
]
}