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=44",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=42",
"results": [
{
"id": "jvasp-94752",
"created_at": "2022-09-04T14:35:46.104507Z",
"updated_at": "2022-09-04T14:35:46.104529Z",
"structure_string": "Mg6 Al1 Sb1\n1.0\n6.355327 -0.119211 0.000000\n-3.280903 5.444268 0.000000\n0.000000 0.000000 5.251183\nMg Al Sb\n6 1 1\ndirect\n0.160567 0.840019 0.250000 Mg\n0.659982 0.339434 0.250000 Mg\n0.666220 0.833781 0.250000 Mg\n0.337809 0.651461 0.750000 Mg\n0.848540 0.162192 0.750000 Mg\n0.833562 0.666439 0.750000 Mg\n0.142659 0.357342 0.250000 Al\n0.350669 0.149331 0.750000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Sb"
],
"chemical_system": "Al-Mg-Sb",
"density": 2.722968110732983,
"density_atomic": 0.04453409811803759,
"volume": 179.63763359024375,
"volume_molar": 13.5225389409219,
"formula_full": "Mg6 Al1 Sb1",
"formula_reduced": "Mg6AlSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"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-69286",
"created_at": "2022-09-04T14:35:52.371602Z",
"updated_at": "2022-09-04T14:35:52.371625Z",
"structure_string": "Ba2 In1 Sb1\n1.0\n-0.000000 4.229479 4.229479\n4.229479 0.000000 4.229479\n4.229479 4.229479 0.000000\nBa In Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Sb"
],
"chemical_system": "Ba-In-Sb",
"density": 5.610176350403246,
"density_atomic": 0.02643439509438134,
"volume": 151.31800768348978,
"volume_molar": 22.781458544818424,
"formula_full": "Ba2 In1 Sb1",
"formula_reduced": "Ba2InSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-92942",
"created_at": "2022-09-04T14:35:55.158304Z",
"updated_at": "2022-09-04T14:35:55.158329Z",
"structure_string": "Mg6 Ga1 Bi1\n1.0\n6.543127 -0.196906 0.000000\n-3.442089 5.568061 0.000000\n0.000000 0.000000 5.196778\nMg Ga Bi\n6 1 1\ndirect\n0.163420 0.828182 0.250000 Mg\n0.671817 0.336579 0.250000 Mg\n0.670462 0.829537 0.250000 Mg\n0.337408 0.652156 0.750000 Mg\n0.847843 0.162592 0.750000 Mg\n0.831093 0.668907 0.750000 Mg\n0.133277 0.366723 0.250000 Ga\n0.344681 0.155319 0.750000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga-Mg",
"density": 3.7939613437754947,
"density_atomic": 0.043054834805667554,
"volume": 185.80956206448886,
"volume_molar": 13.98714171632885,
"formula_full": "Mg6 Ga1 Bi1",
"formula_reduced": "Mg6GaBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94219",
"created_at": "2022-09-04T14:35:43.288464Z",
"updated_at": "2022-09-04T14:35:43.288491Z",
"structure_string": "K1 Mg6 Cu1\n1.0\n7.730006 -0.850949 0.000000\n-4.601946 6.268906 0.000000\n0.000000 0.000000 4.677923\nK Mg Cu\n1 6 1\ndirect\n0.286878 0.213122 0.750000 K\n0.203342 0.806602 0.250000 Mg\n0.693399 0.296658 0.250000 Mg\n0.692311 0.807689 0.250000 Mg\n0.326834 0.669457 0.750000 Mg\n0.830544 0.173166 0.750000 Mg\n0.864855 0.635146 0.750000 Mg\n0.101839 0.398161 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Cu"
],
"chemical_system": "Cu-K-Mg",
"density": 1.9801649048572487,
"density_atomic": 0.03839377123246413,
"volume": 208.3671320423856,
"volume_molar": 15.685202486459406,
"formula_full": "K1 Mg6 Cu1",
"formula_reduced": "KMg6Cu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-95059",
"created_at": "2022-09-04T14:35:43.372827Z",
"updated_at": "2022-09-04T14:35:43.372853Z",
"structure_string": "Yb1 Cu4 Pd1\n1.0\n-3.499473 -3.499473 -0.000000\n-3.499473 -0.000000 -3.499473\n-0.000000 -3.499473 -3.499473\nYb Cu Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.874015 0.375328 0.375328 Cu\n0.375328 0.874015 0.375328 Cu\n0.375328 0.375328 0.874015 Cu\n0.375328 0.375328 0.375328 Cu\n0.749999 0.749999 0.749999 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Pd"
],
"chemical_system": "Cu-Pd-Yb",
"density": 10.338625199293784,
"density_atomic": 0.07000246183209724,
"volume": 85.71127133201628,
"volume_molar": 8.602755677999246,
"formula_full": "Yb1 Cu4 Pd1",
"formula_reduced": "YbCu4Pd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66606",
"created_at": "2022-09-04T14:35:40.719381Z",
"updated_at": "2022-09-04T14:35:40.719402Z",
"structure_string": "Ba1 Ga1 Br1\n1.0\n-0.000000 3.929240 3.929240\n3.929240 0.000000 3.929240\n3.929240 3.929240 -0.000000\nBa Ga Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 3.9274052390511716,
"density_atomic": 0.02472666752786267,
"volume": 121.32649887493007,
"volume_molar": 24.35484180476035,
"formula_full": "Ba1 Ga1 Br1",
"formula_reduced": "BaGaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65641",
"created_at": "2022-09-04T14:36:04.018518Z",
"updated_at": "2022-09-04T14:36:04.018535Z",
"structure_string": "K1 Ba1 In2\n1.0\n4.211191 -0.000000 0.000000\n-0.000000 4.211663 0.000000\n0.000000 0.000000 8.545767\nK Ba In\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.742882 In\n0.000000 0.000000 0.257119 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"In"
],
"chemical_system": "Ba-In-K",
"density": 4.44867928499505,
"density_atomic": 0.02639066846271201,
"volume": 151.5687261067939,
"volume_molar": 22.81920508572499,
"formula_full": "K1 Ba1 In2",
"formula_reduced": "KBaIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-90059",
"created_at": "2022-09-04T14:36:01.252758Z",
"updated_at": "2022-09-04T14:36:01.252776Z",
"structure_string": "Yb3 Cd3 Sn3\n1.0\n0.000000 0.000000 -4.598236\n-3.824439 -6.624122 0.000000\n-3.824589 6.624209 0.000000\nYb Cd Sn\n3 3 3\ndirect\n0.500000 0.576105 0.000000 Yb\n0.500000 0.423875 0.423882 Yb\n0.500000 0.999993 0.576118 Yb\n0.000000 0.254758 0.000000 Cd\n0.000000 0.745218 0.745236 Cd\n0.000000 0.999983 0.254765 Cd\n0.000000 0.333324 0.666666 Sn\n0.000000 0.666659 0.333335 Sn\n0.500000 -0.000014 -0.000000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Sn"
],
"chemical_system": "Cd-Sn-Yb",
"density": 8.641638071783467,
"density_atomic": 0.03862903215543261,
"volume": 232.98538684030376,
"volume_molar": 15.589675495281789,
"formula_full": "Yb3 Cd3 Sn3",
"formula_reduced": "YbCdSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-97379",
"created_at": "2022-09-04T14:35:45.648813Z",
"updated_at": "2022-09-04T14:35:45.648832Z",
"structure_string": "K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-K",
"density": 2.467699228220312,
"density_atomic": 0.035575876256239695,
"volume": 674.614444550487,
"volume_molar": 16.927596432551034,
"formula_full": "K4 Ga4 Cl16",
"formula_reduced": "KGaCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-64780",
"created_at": "2022-09-04T14:35:42.223568Z",
"updated_at": "2022-09-04T14:35:42.223589Z",
"structure_string": "Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Sn"
],
"chemical_system": "Ba-Ca-Sn",
"density": 4.2770865470680395,
"density_atomic": 0.02182519085382257,
"volume": 274.9116853174794,
"volume_molar": 27.592614425844772,
"formula_full": "Ba4 Ca1 Sn1",
"formula_reduced": "Ba4CaSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-36442",
"created_at": "2022-09-04T14:36:46.190099Z",
"updated_at": "2022-09-04T14:36:46.190120Z",
"structure_string": "Ba4 Br4 Cl4\n1.0\n4.823546 -0.000000 0.000000\n-0.000000 8.180288 0.000000\n0.000000 0.000000 9.555886\nBa Br Cl\n4 4 4\ndirect\n0.750001 0.736669 0.122165 Ba\n0.250000 0.263331 0.877836 Ba\n0.750001 0.236669 0.377835 Ba\n0.250000 0.763331 0.622165 Ba\n0.750001 0.970277 0.827945 Br\n0.250000 0.029723 0.172056 Br\n0.750001 0.470277 0.672056 Br\n0.250000 0.529724 0.327945 Br\n0.750001 0.856367 0.432513 Cl\n0.250000 0.143633 0.567488 Cl\n0.750001 0.356367 0.067488 Cl\n0.250000 0.643633 0.932513 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 4.451238384577168,
"density_atomic": 0.03182550234779681,
"volume": 377.05610641620325,
"volume_molar": 18.92237456046596,
"formula_full": "Ba4 Br4 Cl4",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}