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=chemical_system&page=306",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=304",
"results": [
{
"id": "jvasp-104929",
"created_at": "2022-09-04T14:36:53.807843Z",
"updated_at": "2022-09-04T14:36:53.807873Z",
"structure_string": "Sr2 Al1 In3\n1.0\n4.986400 0.000000 0.000000\n-2.493200 4.318349 0.000000\n-0.000000 -0.000000 8.015232\nSr Al In\n2 1 3\ndirect\n0.000000 0.000000 0.746085 Sr\n0.000000 0.000000 0.251418 Sr\n0.333333 0.666667 0.547037 Al\n0.666667 0.333333 0.464128 In\n0.666667 0.333333 0.045092 In\n0.333333 0.666667 0.946240 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Al",
"In"
],
"chemical_system": "Al-In-Sr",
"density": 5.25966143426389,
"density_atomic": 0.034764044792429616,
"volume": 172.59211452018923,
"volume_molar": 17.322900128443653,
"formula_full": "Sr2 Al1 In3",
"formula_reduced": "Sr2AlIn3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 156
},
{
"id": "jvasp-108736",
"created_at": "2022-09-04T14:38:20.736685Z",
"updated_at": "2022-09-04T14:38:20.736709Z",
"structure_string": "Sr2 Al2 In2\n1.0\n4.850394 0.016960 3.937540\n2.330182 4.254041 3.937540\n0.007104 0.004225 8.008954\nSr Al In\n2 2 2\ndirect\n0.452961 0.452962 0.298863 Sr\n0.547037 0.547039 0.701137 Sr\n0.152849 0.152852 0.903832 Al\n0.847148 0.847149 0.096169 Al\n0.830225 0.830228 0.736420 In\n0.169772 0.169773 0.263580 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Al",
"In"
],
"chemical_system": "Al-In-Sr",
"density": 4.623919700845408,
"density_atomic": 0.03641262921324402,
"volume": 164.77799405426282,
"volume_molar": 16.538604572420226,
"formula_full": "Sr2 Al2 In2",
"formula_reduced": "SrAlIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2053246566666668,
"spacegroup": 12
},
{
"id": "jvasp-26756",
"created_at": "2022-09-04T14:37:26.860626Z",
"updated_at": "2022-09-04T14:37:26.860652Z",
"structure_string": "Al2 I6 O18\n1.0\n4.510520 -7.812450 -0.000000\n4.510520 7.812450 0.000000\n0.000000 0.000000 5.190207\nAl I O\n2 6 18\ndirect\n0.333333 0.666667 0.085612 Al\n0.666667 0.333333 0.585612 Al\n0.335340 0.312341 0.217169 I\n0.664660 0.687659 0.717170 I\n0.022997 0.335340 0.717170 I\n0.977003 0.664660 0.217169 I\n0.312341 0.977003 0.717170 I\n0.687659 0.022997 0.217169 I\n0.046476 0.216033 0.979205 O\n0.714580 0.519285 0.811021 O\n0.953524 0.783968 0.479204 O\n0.422348 0.869989 0.877038 O\n0.552359 0.422348 0.377037 O\n0.830442 0.046476 0.479204 O\n0.447641 0.577652 0.877038 O\n0.169558 0.953524 0.979205 O\n0.480715 0.195295 0.811021 O\n0.577652 0.130011 0.377037 O\n0.804705 0.285420 0.811021 O\n0.869989 0.447641 0.377037 O\n0.195295 0.714580 0.311020 O\n0.285420 0.480715 0.311020 O\n0.519285 0.804705 0.311020 O\n0.130011 0.552359 0.877038 O\n0.216033 0.169558 0.479204 O\n0.783967 0.830442 0.979205 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Al",
"I",
"O"
],
"chemical_system": "Al-I-O",
"density": 5.0089340232866855,
"density_atomic": 0.0710795728912829,
"volume": 365.7872289098772,
"volume_molar": 8.472393002713929,
"formula_full": "Al2 I6 O18",
"formula_reduced": "Al(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.0466940865384617,
"spacegroup": 173
},
{
"id": "jvasp-18438",
"created_at": "2022-09-04T14:35:47.379824Z",
"updated_at": "2022-09-04T14:35:47.379850Z",
"structure_string": "Al1 Pd5 I2\n1.0\n3.991150 0.000000 -0.809647\n-0.164246 3.987769 -0.809647\n0.043146 0.044960 10.454688\nAl Pd I\n1 5 2\ndirect\n0.500000 0.500000 -0.000000 Al\n0.088116 0.588117 0.176233 Pd\n0.588117 0.088117 0.176233 Pd\n0.411883 0.911884 0.823766 Pd\n0.911884 0.411883 0.823767 Pd\n0.000000 0.000000 0.000000 Pd\n0.183067 0.183067 0.366133 I\n0.816933 0.816934 0.633866 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Pd",
"I"
],
"chemical_system": "Al-I-Pd",
"density": 8.098121415295894,
"density_atomic": 0.04799468401236652,
"volume": 166.68512700153804,
"volume_molar": 12.547516217521736,
"formula_full": "Al1 Pd5 I2",
"formula_reduced": "AlPd5I2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.31420048125,
"spacegroup": 139
},
{
"id": "jvasp-12082",
"created_at": "2022-09-04T14:36:19.363316Z",
"updated_at": "2022-09-04T14:36:19.363337Z",
"structure_string": "Al1 Pd5 I2\n1.0\n3.991167 0.000000 -0.809650\n-0.164246 3.987787 -0.809650\n0.043174 0.044989 10.454869\nAl Pd I\n1 5 2\ndirect\n0.500000 0.500000 0.000000 Al\n0.088113 0.588114 0.176227 Pd\n0.588113 0.088113 0.176227 Pd\n0.411885 0.911888 0.823773 Pd\n0.911886 0.411887 0.823774 Pd\n0.000000 0.000000 0.000000 Pd\n0.183070 0.183070 0.366140 I\n0.816929 0.816931 0.633860 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Pd",
"I"
],
"chemical_system": "Al-I-Pd",
"density": 8.09790129503097,
"density_atomic": 0.04799337943788338,
"volume": 166.68965790071522,
"volume_molar": 12.547857288929414,
"formula_full": "Al1 Pd5 I2",
"formula_reduced": "AlPd5I2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.31420048125,
"spacegroup": 139
},
{
"id": "jvasp-20753",
"created_at": "2022-09-04T14:37:38.837910Z",
"updated_at": "2022-09-04T14:37:38.837927Z",
"structure_string": "Al6 Ir2\n1.0\n2.152586 -3.728387 -0.000000\n2.152586 3.728387 0.000000\n-0.000000 0.000000 7.811655\nAl Ir\n6 2\ndirect\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.666668 0.333334 0.421235 Al\n0.333334 0.666668 0.921235 Al\n0.333334 0.666668 0.578764 Al\n0.666668 0.333334 0.078765 Al\n0.666668 0.333334 0.750000 Ir\n0.333334 0.666668 0.250000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Ir"
],
"chemical_system": "Al-Ir",
"density": 7.235094692654586,
"density_atomic": 0.06380216860051531,
"volume": 125.3875875299854,
"volume_molar": 9.43877127077991,
"formula_full": "Al6 Ir2",
"formula_reduced": "Al3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 2.247239875,
"spacegroup": 194
},
{
"id": "jvasp-20659",
"created_at": "2022-09-04T14:38:12.431902Z",
"updated_at": "2022-09-04T14:38:12.431925Z",
"structure_string": "Al6 Ir2\n1.0\n2.152585 -3.728386 0.000000\n2.152585 3.728386 -0.000000\n-0.000000 0.000000 7.811652\nAl Ir\n6 2\ndirect\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.666666 0.333332 0.421235 Al\n0.333332 0.666666 0.921235 Al\n0.333332 0.666666 0.578764 Al\n0.666666 0.333332 0.078765 Al\n0.666666 0.333332 0.750000 Ir\n0.333332 0.666666 0.250000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"Ir"
],
"chemical_system": "Al-Ir",
"density": 7.2351027728980055,
"density_atomic": 0.06380223985556793,
"volume": 125.38744749573007,
"volume_molar": 9.43876072945495,
"formula_full": "Al6 Ir2",
"formula_reduced": "Al3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 2.247239875,
"spacegroup": 194
},
{
"id": "jvasp-20224",
"created_at": "2022-09-04T14:37:37.663669Z",
"updated_at": "2022-09-04T14:37:37.663681Z",
"structure_string": "Al1 Ir1\n1.0\n3.021741 -0.000000 0.000000\n0.000000 3.021741 -0.000000\n-0.000000 -0.000000 3.021741\nAl Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Ir"
],
"chemical_system": "Al-Ir",
"density": 13.192133574320573,
"density_atomic": 0.07248669251550828,
"volume": 27.591271316070973,
"volume_molar": 8.307925980636492,
"formula_full": "Al1 Ir1",
"formula_reduced": "AlIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.6215669499999996,
"spacegroup": 221
},
{
"id": "jvasp-20487",
"created_at": "2022-09-04T14:37:33.322664Z",
"updated_at": "2022-09-04T14:37:33.322690Z",
"structure_string": "Al1 Ir1\n1.0\n3.021741 -0.000000 0.000000\n0.000000 3.021741 -0.000000\n-0.000000 -0.000000 3.021741\nAl Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Ir"
],
"chemical_system": "Al-Ir",
"density": 13.192133574320573,
"density_atomic": 0.07248669251550828,
"volume": 27.591271316070973,
"volume_molar": 8.307925980636492,
"formula_full": "Al1 Ir1",
"formula_reduced": "AlIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.6215669499999996,
"spacegroup": 221
},
{
"id": "jvasp-103206",
"created_at": "2022-09-04T14:36:38.898410Z",
"updated_at": "2022-09-04T14:36:38.898440Z",
"structure_string": "Rb3 Al1 I6\n1.0\n7.485691 -0.000000 4.321866\n2.495231 7.057577 4.321866\n-0.000000 -0.000000 8.643732\nRb Al I\n3 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.774466 0.225534 0.225534 I\n0.225534 0.225534 0.774466 I\n0.225534 0.774467 0.774467 I\n0.225534 0.774467 0.225534 I\n0.774466 0.225534 0.774467 I\n0.774466 0.774467 0.225534 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Al",
"I"
],
"chemical_system": "Al-I-Rb",
"density": 3.79925404830727,
"density_atomic": 0.02189833956355029,
"volume": 456.6556277465423,
"volume_molar": 27.50044469135839,
"formula_full": "Rb3 Al1 I6",
"formula_reduced": "Rb3AlI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-16583",
"created_at": "2022-09-04T14:37:43.827790Z",
"updated_at": "2022-09-04T14:37:43.827823Z",
"structure_string": "Li1 Al2 Ir1\n1.0\n3.701593 0.000000 2.137116\n1.233864 3.489896 2.137116\n0.000000 0.000000 4.274232\nLi Al Ir\n1 2 1\ndirect\n0.499999 0.500001 0.500001 Li\n0.749998 0.750001 0.750001 Al\n0.249999 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Li",
"density": 7.612339794993141,
"density_atomic": 0.07244372105451904,
"volume": 55.21527527540607,
"volume_molar": 8.312853995266078,
"formula_full": "Li1 Al2 Ir1",
"formula_reduced": "LiAl2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.976874175,
"spacegroup": 225
},
{
"id": "jvasp-116612",
"created_at": "2022-09-04T14:38:43.507727Z",
"updated_at": "2022-09-04T14:38:43.507747Z",
"structure_string": "Lu4 Al18 Ir6\n1.0\n7.503671 0.001573 0.000000\n-3.706027 6.524603 0.000000\n0.000000 -0.000000 9.420392\nLu Al Ir\n4 18 6\ndirect\n0.995775 0.672120 0.250000 Lu\n0.004224 0.327879 0.750000 Lu\n0.672120 0.995775 0.250000 Lu\n0.327879 0.004224 0.750000 Lu\n0.450389 0.660658 0.750000 Al\n0.549610 0.339341 0.250000 Al\n0.660658 0.450389 0.750000 Al\n0.339341 0.549610 0.250000 Al\n0.332814 0.332814 0.942969 Al\n0.667185 0.667185 0.057031 Al\n0.667185 0.667185 0.442969 Al\n0.332814 0.332814 0.557030 Al\n0.335369 0.000474 0.075787 Al\n0.664630 0.999525 0.575787 Al\n0.000474 0.335369 0.424213 Al\n0.335369 0.000474 0.424213 Al\n0.999525 0.664630 0.575787 Al\n0.999525 0.664630 0.924213 Al\n0.000474 0.335369 0.075787 Al\n0.871364 0.871364 0.750000 Al\n0.128635 0.128635 0.250000 Al\n0.664630 0.999525 0.924213 Al\n0.000000 0.000000 0.000000 Ir\n0.672275 0.327724 -0.000000 Ir\n0.327724 0.672275 -0.000000 Ir\n0.327724 0.672275 0.500000 Ir\n0.672275 0.327724 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Lu",
"density": 8.419777643981874,
"density_atomic": 0.06070290450534741,
"volume": 461.2629367270793,
"volume_molar": 9.920679758362306,
"formula_full": "Lu4 Al18 Ir6",
"formula_reduced": "Lu2(Al3Ir)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.740880714285714,
"spacegroup": 63
}
]
}