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=208",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=206",
"results": [
{
"id": "jvasp-65306",
"created_at": "2022-09-04T14:35:57.778941Z",
"updated_at": "2022-09-04T14:35:57.778950Z",
"structure_string": "Sr4 Zr1 Be1\n1.0\n0.000000 4.863352 4.863352\n4.863352 0.000000 4.863352\n4.863352 4.863352 -0.000000\nSr Zr Be\n4 1 1\ndirect\n0.126107 0.624631 0.624631 Sr\n0.624631 0.624631 0.624631 Sr\n0.624631 0.126107 0.624631 Sr\n0.624631 0.624631 0.126107 Sr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"Be"
],
"chemical_system": "Be-Sr-Zr",
"density": 3.2532327845640854,
"density_atomic": 0.02608039366174173,
"volume": 230.05787710948613,
"volume_molar": 23.09068198166846,
"formula_full": "Sr4 Zr1 Be1",
"formula_reduced": "Sr4ZrBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8989593066666671,
"spacegroup": 216
},
{
"id": "jvasp-66246",
"created_at": "2022-09-04T14:35:44.208656Z",
"updated_at": "2022-09-04T14:35:44.208696Z",
"structure_string": "Ba4 Bi1 Ru1\n1.0\n-0.000000 4.863346 4.863346\n4.863346 -0.000000 4.863346\n4.863346 4.863346 0.000000\nBa Bi Ru\n4 1 1\ndirect\n0.124901 0.625034 0.625034 Ba\n0.625034 0.625034 0.625034 Ba\n0.625034 0.124901 0.625034 Ba\n0.625034 0.625034 0.124901 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Ru"
],
"chemical_system": "Ba-Bi-Ru",
"density": 6.202802072630374,
"density_atomic": 0.02608049018945435,
"volume": 230.0570256316003,
"volume_molar": 23.09059651967375,
"formula_full": "Ba4 Bi1 Ru1",
"formula_reduced": "Ba4BiRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9287297799999998,
"spacegroup": 216
},
{
"id": "jvasp-66076",
"created_at": "2022-09-04T14:36:07.066205Z",
"updated_at": "2022-09-04T14:36:07.066233Z",
"structure_string": "Ba4 Mg1 W1\n1.0\n0.000000 4.863308 4.863308\n4.863308 -0.000000 4.863308\n4.863308 4.863308 -0.000000\nBa Mg W\n4 1 1\ndirect\n0.121765 0.626079 0.626079 Ba\n0.626079 0.626079 0.626079 Ba\n0.626079 0.121765 0.626079 Ba\n0.626079 0.626079 0.121765 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"W"
],
"chemical_system": "Ba-Mg-W",
"density": 5.4673826100762,
"density_atomic": 0.026081101542696408,
"volume": 230.0516329871122,
"volume_molar": 23.090055265270813,
"formula_full": "Ba4 Mg1 W1",
"formula_reduced": "Ba4MgW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.338412155,
"spacegroup": 216
},
{
"id": "jvasp-33806",
"created_at": "2022-09-04T14:38:05.665449Z",
"updated_at": "2022-09-04T14:38:05.665481Z",
"structure_string": "Pm2 Br6\n1.0\n9.554416 0.000000 -0.000000\n-4.777209 8.274367 -0.000000\n0.000000 0.000000 3.878971\nPm Br\n2 6\ndirect\n0.666666 0.333334 0.249999 Pm\n0.333334 0.666668 0.750000 Pm\n0.796412 0.203591 0.750000 Br\n0.407178 0.203591 0.750000 Br\n0.796411 0.592823 0.750000 Br\n0.203589 0.796411 0.249999 Br\n0.592822 0.796411 0.249999 Br\n0.203590 0.407180 0.249999 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Br"
],
"chemical_system": "Br-Pm",
"density": 4.166384696041141,
"density_atomic": 0.02608762410170759,
"volume": 306.65881909408347,
"volume_molar": 23.08428217349933,
"formula_full": "Pm2 Br6",
"formula_reduced": "PmBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-66465",
"created_at": "2022-09-04T14:36:01.565637Z",
"updated_at": "2022-09-04T14:36:01.565664Z",
"structure_string": "Ba4 Ta1 V1\n1.0\n-0.000000 4.862872 4.862872\n4.862872 -0.000000 4.862872\n4.862872 4.862872 -0.000000\nBa Ta V\n4 1 1\ndirect\n0.125173 0.624942 0.624942 Ba\n0.624942 0.624942 0.624942 Ba\n0.624942 0.125173 0.624942 Ba\n0.624942 0.624942 0.125173 Ba\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"V"
],
"chemical_system": "Ba-Ta-V",
"density": 5.640289102851872,
"density_atomic": 0.026088117384269437,
"volume": 229.9897655174562,
"volume_molar": 23.083845688425253,
"formula_full": "Ba4 Ta1 V1",
"formula_reduced": "Ba4TaV",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1413078799999994,
"spacegroup": 216
},
{
"id": "jvasp-85286",
"created_at": "2022-09-04T14:36:12.116462Z",
"updated_at": "2022-09-04T14:36:12.116493Z",
"structure_string": "K4 Tc2 I12\n1.0\n7.721518 0.000000 -0.067564\n0.000000 7.975751 0.000000\n-0.022441 0.000000 11.203604\nK Tc I\n4 2 12\ndirect\n0.026710 0.429798 0.749316 K\n0.473291 0.929798 0.750684 K\n0.526710 0.070202 0.249316 K\n0.973291 0.570202 0.250684 K\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n0.927492 -0.000809 0.759025 I\n0.192747 0.712176 0.970607 I\n0.692747 0.787824 0.470607 I\n0.290677 0.194460 0.963388 I\n0.307254 0.212176 0.529393 I\n0.427492 0.500809 0.259025 I\n0.807254 0.287824 0.029393 I\n0.072508 0.000809 0.240975 I\n0.572508 0.499191 0.740975 I\n0.709324 0.805540 0.036612 I\n0.790677 0.305540 0.463389 I\n0.209324 0.694459 0.536611 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Tc",
"I"
],
"chemical_system": "I-K-Tc",
"density": 4.513184899559604,
"density_atomic": 0.0260884388696287,
"volume": 689.9607941261294,
"volume_molar": 23.08356122838296,
"formula_full": "K4 Tc2 I12",
"formula_reduced": "K2TcI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1366339055555558,
"spacegroup": 14
},
{
"id": "jvasp-107145",
"created_at": "2022-09-04T14:36:57.146242Z",
"updated_at": "2022-09-04T14:36:57.146263Z",
"structure_string": "Rb3 Ce1 Cl6\n1.0\n7.061277 -0.000000 4.076830\n2.353759 6.657436 4.076830\n-0.000000 -0.000000 8.153660\nRb Ce Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ce\n0.763278 0.236723 0.236722 Cl\n0.236723 0.236723 0.763277 Cl\n0.236723 0.763278 0.763277 Cl\n0.236723 0.763278 0.236722 Cl\n0.763278 0.236723 0.763277 Cl\n0.763278 0.763278 0.236722 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Ce",
"Cl"
],
"chemical_system": "Ce-Cl-Rb",
"density": 2.639324609558405,
"density_atomic": 0.026088983236396055,
"volume": 383.3035542009649,
"volume_molar": 23.083079572065003,
"formula_full": "Rb3 Ce1 Cl6",
"formula_reduced": "Rb3CeCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66604",
"created_at": "2022-09-04T14:36:20.736634Z",
"updated_at": "2022-09-04T14:36:20.736662Z",
"structure_string": "Ba4 Mn1 Cr1\n1.0\n-0.000000 4.862634 4.862634\n4.862634 -0.000000 4.862634\n4.862634 4.862634 -0.000000\nBa Mn Cr\n4 1 1\ndirect\n0.124814 0.625062 0.625062 Ba\n0.625062 0.625062 0.625062 Ba\n0.625062 0.124814 0.625062 Ba\n0.625062 0.625062 0.124814 Ba\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Cr"
],
"chemical_system": "Ba-Cr-Mn",
"density": 4.738801014119455,
"density_atomic": 0.026091948194384994,
"volume": 229.9559985057461,
"volume_molar": 23.080456526799214,
"formula_full": "Ba4 Mn1 Cr1",
"formula_reduced": "Ba4MnCr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.790764753563218,
"spacegroup": 216
},
{
"id": "jvasp-106458",
"created_at": "2022-09-04T14:36:47.936424Z",
"updated_at": "2022-09-04T14:36:47.936445Z",
"structure_string": "K2 Rb1 Pr1 Cl6\n1.0\n7.060775 -0.000000 4.076540\n2.353592 6.656962 4.076540\n-0.000000 -0.000000 8.153081\nK Rb Pr Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pr\n0.762990 0.237010 0.237010 Cl\n0.237010 0.237010 0.762990 Cl\n0.237010 0.762990 0.762990 Cl\n0.237010 0.762990 0.237010 Cl\n0.762990 0.237010 0.762990 Cl\n0.762990 0.762990 0.237010 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Pr",
"Cl"
],
"chemical_system": "Cl-K-Pr-Rb",
"density": 2.241470435909795,
"density_atomic": 0.02609454884951319,
"volume": 383.22180075500927,
"volume_molar": 23.0781562644734,
"formula_full": "K2 Rb1 Pr1 Cl6",
"formula_reduced": "K2RbPrCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66468",
"created_at": "2022-09-04T14:36:04.087536Z",
"updated_at": "2022-09-04T14:36:04.087563Z",
"structure_string": "Ba4 Ta1 Si1\n1.0\n-0.000000 4.862400 4.862400\n4.862400 0.000000 4.862400\n4.862400 4.862400 0.000000\nBa Ta Si\n4 1 1\ndirect\n0.126167 0.624611 0.624611 Ba\n0.624611 0.624611 0.624611 Ba\n0.624611 0.126167 0.624611 Ba\n0.624611 0.624611 0.126167 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Si"
],
"chemical_system": "Ba-Si-Ta",
"density": 5.476862125461555,
"density_atomic": 0.026095715352397318,
"volume": 229.92280222924802,
"volume_molar": 23.077124649302892,
"formula_full": "Ba4 Ta1 Si1",
"formula_reduced": "Ba4TaSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.829581946666666,
"spacegroup": 216
},
{
"id": "jvasp-64089",
"created_at": "2022-09-04T14:36:19.969337Z",
"updated_at": "2022-09-04T14:36:19.969369Z",
"structure_string": "Ba4 Pt1 Br1\n1.0\n-0.000000 4.862378 4.862378\n4.862378 -0.000000 4.862378\n4.862378 4.862378 -0.000000\nBa Pt Br\n4 1 1\ndirect\n0.124283 0.625239 0.625239 Ba\n0.625239 0.625239 0.625239 Ba\n0.625239 0.124283 0.625239 Ba\n0.625239 0.625239 0.124283 Ba\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Pt",
"Br"
],
"chemical_system": "Ba-Br-Pt",
"density": 5.953277693539484,
"density_atomic": 0.026096069566941313,
"volume": 229.919681376112,
"volume_molar": 23.076811412354957,
"formula_full": "Ba4 Pt1 Br1",
"formula_reduced": "Ba4PtBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3110598974999999,
"spacegroup": 216
},
{
"id": "jvasp-102433",
"created_at": "2022-09-04T14:36:52.470718Z",
"updated_at": "2022-09-04T14:36:52.470739Z",
"structure_string": "K3 V1 Se4\n1.0\n6.461439 -0.035028 -4.130033\n-1.955897 6.158400 -4.130033\n0.025773 0.035028 7.668553\nK V Se\n3 1 4\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.249999 0.750000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.295319 0.923549 0.000000 Se\n0.923549 0.295319 0.000000 Se\n0.704680 0.704681 0.628230 Se\n0.076451 0.076451 0.371770 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"V",
"Se"
],
"chemical_system": "K-Se-V",
"density": 2.6226062426345713,
"density_atomic": 0.026101175693189038,
"volume": 306.499603467577,
"volume_molar": 23.07229693707416,
"formula_full": "K3 V1 Se4",
"formula_reduced": "K3VSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9146027083333332,
"spacegroup": 121
}
]
}