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=427",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=425",
"results": [
{
"id": "jvasp-102365",
"created_at": "2022-09-04T14:36:59.545411Z",
"updated_at": "2022-09-04T14:36:59.545442Z",
"structure_string": "K2 Na1 Au1 Br6\n1.0\n6.658800 -0.000000 3.844460\n2.219600 6.277977 3.844460\n-0.000000 -0.000000 7.688920\nK Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756801 0.243199 0.243199 Br\n0.243199 0.243199 0.756801 Br\n0.243199 0.756801 0.756801 Br\n0.243199 0.756801 0.243199 Br\n0.756801 0.243199 0.756801 Br\n0.756801 0.756801 0.243199 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Au",
"Br"
],
"chemical_system": "Au-Br-K-Na",
"density": 4.01708883231675,
"density_atomic": 0.031111357874768118,
"volume": 321.4260219773366,
"volume_molar": 19.35672748274375,
"formula_full": "K2 Na1 Au1 Br6",
"formula_reduced": "K2NaAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-28820",
"created_at": "2022-09-04T14:38:01.814592Z",
"updated_at": "2022-09-04T14:38:01.814620Z",
"structure_string": "Te4 W4 Se4\n1.0\n3.444107 -0.000048 0.000027\n-1.722094 2.982692 -0.000063\n0.000290 -0.000623 37.546292\nTe W Se\n4 4 4\ndirect\n0.333335 0.666681 0.328573 Te\n0.666667 0.333319 0.422885 Te\n0.666664 0.333341 0.522411 Te\n0.333338 0.666658 0.229047 Te\n0.333320 0.666639 0.095391 W\n0.333326 0.666662 0.472657 W\n0.666676 0.333337 0.278801 W\n0.666682 0.333360 0.656067 W\n0.333347 0.666722 0.699748 Se\n0.666654 0.333277 0.051710 Se\n0.666664 0.333334 0.139143 Se\n0.333337 0.666665 0.612315 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"W",
"Se"
],
"chemical_system": "Se-Te-W",
"density": 6.7231111971310735,
"density_atomic": 0.031112337593427554,
"volume": 385.69908043601924,
"volume_molar": 19.35611794490225,
"formula_full": "Te4 W4 Se4",
"formula_reduced": "TeWSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9960737111111118,
"spacegroup": 164
},
{
"id": "jvasp-39512",
"created_at": "2022-09-04T14:37:48.831961Z",
"updated_at": "2022-09-04T14:37:48.831987Z",
"structure_string": "Sr1 Cd1 Si1\n1.0\n4.457547 -0.000000 2.573567\n1.485850 4.202617 2.573567\n-0.000000 -0.000000 5.147132\nSr Cd Si\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Si"
],
"chemical_system": "Cd-Si-Sr",
"density": 3.9284818140055315,
"density_atomic": 0.031112879338255375,
"volume": 96.42309113805801,
"volume_molar": 19.3557809115898,
"formula_full": "Sr1 Cd1 Si1",
"formula_reduced": "SrCdSi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2938615533333331,
"spacegroup": 216
},
{
"id": "jvasp-4255",
"created_at": "2022-09-04T14:37:39.070416Z",
"updated_at": "2022-09-04T14:37:39.070445Z",
"structure_string": "As4 Br12\n1.0\n4.122976 0.000000 0.000000\n0.000000 10.214315 0.000000\n0.000000 0.000000 12.210577\nAs Br\n4 12\ndirect\n0.491049 0.303717 0.288711 As\n-0.008951 0.196282 0.711290 As\n0.508952 0.803717 0.211289 As\n0.008951 0.696282 0.788711 As\n0.779853 0.135584 0.384415 Br\n0.279853 0.364416 0.615585 Br\n0.220148 0.635584 0.115585 Br\n0.720148 0.864416 0.884415 Br\n0.758492 0.488084 0.368662 Br\n0.258492 0.011916 0.631338 Br\n0.241508 0.988084 0.131338 Br\n0.741509 0.511916 0.868662 Br\n0.782251 0.300589 0.118073 Br\n0.282250 0.199411 0.881927 Br\n0.217750 0.800588 0.381927 Br\n0.717751 0.699411 0.618073 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"As",
"Br"
],
"chemical_system": "As-Br",
"density": 4.064039757456962,
"density_atomic": 0.031114565618039335,
"volume": 514.2286155113044,
"volume_molar": 19.35473190893121,
"formula_full": "As4 Br12",
"formula_reduced": "AsBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.40727601625,
"spacegroup": 19
},
{
"id": "jvasp-113065",
"created_at": "2022-09-04T14:38:46.489454Z",
"updated_at": "2022-09-04T14:38:46.489471Z",
"structure_string": "Pr5 S8\n1.0\n7.267070 -0.000000 4.195645\n2.422357 6.851459 4.195645\n-0.000000 -0.000000 8.391289\nPr S\n5 8\ndirect\n0.613014 0.128996 0.128995 Pr\n0.128996 0.613014 0.128995 Pr\n0.128996 0.128996 0.613013 Pr\n0.128996 0.128996 0.128995 Pr\n0.750000 0.750000 0.749999 Pr\n0.349329 0.883557 0.883556 S\n0.883557 0.349329 0.883556 S\n0.883558 0.883557 0.349327 S\n0.883558 0.883557 0.883556 S\n0.903179 0.365607 0.365606 S\n0.365607 0.903179 0.365606 S\n0.365607 0.365607 0.903179 S\n0.365607 0.365607 0.365607 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Pr",
"S"
],
"chemical_system": "Pr-S",
"density": 3.819686530670864,
"density_atomic": 0.03111517636016632,
"volume": 417.80254913298876,
"volume_molar": 19.3543520058898,
"formula_full": "Pr5 S8",
"formula_reduced": "Pr5S8",
"formula_anonymous": "A5B8",
"energy_above_hull": 2.087370711538462,
"spacegroup": 216
},
{
"id": "jvasp-35829",
"created_at": "2022-09-04T14:37:19.629609Z",
"updated_at": "2022-09-04T14:37:19.629639Z",
"structure_string": "K2 Cd2 Sb2\n1.0\n4.843426 0.000000 0.000000\n0.000000 4.843426 0.000000\n-0.000000 0.000000 8.218109\nK Cd Sb\n2 2 2\ndirect\n0.500000 0.000000 0.340352 K\n0.000000 0.500000 0.659648 K\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.784408 Sb\n0.000000 0.500000 0.215592 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Cd",
"Sb"
],
"chemical_system": "Cd-K-Sb",
"density": 4.707525733010042,
"density_atomic": 0.0311224670374304,
"volume": 192.7867733873383,
"volume_molar": 19.349818100079553,
"formula_full": "K2 Cd2 Sb2",
"formula_reduced": "KCdSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-114183",
"created_at": "2022-09-04T14:38:39.725553Z",
"updated_at": "2022-09-04T14:38:39.725571Z",
"structure_string": "Sr1 Ca1 S1\n1.0\n5.313147 -0.000000 0.000000\n-2.656573 4.601320 -0.000000\n0.000000 0.000000 3.942673\nSr Ca S\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666666 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"S"
],
"chemical_system": "Ca-S-Sr",
"density": 2.752328558858389,
"density_atomic": 0.03112405877131957,
"volume": 96.38845698249555,
"volume_molar": 19.348828519593106,
"formula_full": "Sr1 Ca1 S1",
"formula_reduced": "SrCaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2025169577777777,
"spacegroup": 187
},
{
"id": "jvasp-105061",
"created_at": "2022-09-04T14:36:49.843980Z",
"updated_at": "2022-09-04T14:36:49.843999Z",
"structure_string": "Rb2 As1 Au1 Br6\n1.0\n6.657760 -0.000000 3.843859\n2.219253 6.276996 3.843859\n-0.000000 -0.000000 7.687719\nRb As Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.753582 0.246418 0.246418 Br\n0.246418 0.246418 0.753582 Br\n0.246418 0.753582 0.753582 Br\n0.246418 0.753582 0.246418 Br\n0.753582 0.246418 0.753582 Br\n0.753581 0.753582 0.246418 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"As",
"Au",
"Br"
],
"chemical_system": "As-Au-Br-Rb",
"density": 4.766715397016868,
"density_atomic": 0.031125942570444955,
"volume": 321.2754112543827,
"volume_molar": 19.347657493007805,
"formula_full": "Rb2 As1 Au1 Br6",
"formula_reduced": "Rb2AsAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65278",
"created_at": "2022-09-04T14:36:09.177296Z",
"updated_at": "2022-09-04T14:36:09.177304Z",
"structure_string": "Ca4 Be1 Cr1\n1.0\n-0.000000 4.584750 4.584750\n4.584750 0.000000 4.584750\n4.584750 4.584750 0.000000\nCa Be Cr\n4 1 1\ndirect\n0.124663 0.625113 0.625113 Ca\n0.625113 0.625113 0.625113 Ca\n0.625113 0.124663 0.625113 Ca\n0.625113 0.625113 0.124663 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Cr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Cr"
],
"chemical_system": "Be-Ca-Cr",
"density": 1.9067481740274916,
"density_atomic": 0.03112965282188112,
"volume": 192.7422716318437,
"volume_molar": 19.345351502818627,
"formula_full": "Ca4 Be1 Cr1",
"formula_reduced": "Ca4BeCr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0662941966666672,
"spacegroup": 216
},
{
"id": "jvasp-85423",
"created_at": "2022-09-04T14:36:18.711521Z",
"updated_at": "2022-09-04T14:36:18.711541Z",
"structure_string": "Zr2 In4 Br12\n1.0\n7.252583 -0.000200 0.000044\n-0.000210 7.253122 -0.000115\n0.000076 0.000032 10.991357\nZr In Br\n2 4 12\ndirect\n0.500162 0.499925 0.499998 Zr\n0.000077 0.000243 -0.000006 Zr\n0.499568 0.999098 0.249918 In\n0.499248 0.999258 0.749912 In\n0.999522 0.500161 0.750098 In\n0.000005 0.500142 0.250115 In\n0.694493 0.806134 0.500076 Br\n0.500146 0.499779 0.741425 Br\n0.805767 0.306342 0.000108 Br\n0.194471 0.694117 -0.000079 Br\n0.306266 0.194484 0.000056 Br\n-0.000004 0.000410 0.758554 Br\n0.806359 0.305759 0.499953 Br\n-0.000040 -0.000036 0.241432 Br\n0.693975 0.805774 -0.000107 Br\n0.305798 0.193850 0.499878 Br\n0.500114 0.500171 0.258573 Br\n0.194075 0.694384 0.500096 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"In",
"Br"
],
"chemical_system": "Br-In-Zr",
"density": 4.59678533864943,
"density_atomic": 0.031131747637308572,
"volume": 578.1879067537036,
"volume_molar": 19.34404977889199,
"formula_full": "Zr2 In4 Br12",
"formula_reduced": "Zr(InBr3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2404110077777781,
"spacegroup": 128
},
{
"id": "jvasp-8793",
"created_at": "2022-09-04T14:37:07.302964Z",
"updated_at": "2022-09-04T14:37:07.302983Z",
"structure_string": "K4 Na2 As2\n1.0\n2.663049 -4.612536 0.000000\n2.663049 4.612536 0.000000\n-0.000000 0.000000 10.459755\nK Na As\n4 2 2\ndirect\n0.333333 0.666667 0.084910 K\n0.333333 0.666667 0.415090 K\n0.666667 0.333333 0.584909 K\n0.666667 0.333333 0.915090 K\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Na",
"As"
],
"chemical_system": "As-K-Na",
"density": 2.2760807632259,
"density_atomic": 0.03113289829654075,
"volume": 256.96290540636556,
"volume_molar": 19.343334830696236,
"formula_full": "K4 Na2 As2",
"formula_reduced": "K2NaAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-8041",
"created_at": "2022-09-04T14:37:02.468505Z",
"updated_at": "2022-09-04T14:37:02.468525Z",
"structure_string": "Hg3 Te3\n1.0\n2.314230 -4.008364 0.000000\n2.314230 4.008364 -0.000000\n0.000000 -0.000000 10.387849\nHg Te\n3 3\ndirect\n0.328269 0.000000 0.833333 Hg\n0.000000 0.328269 0.166667 Hg\n0.671731 0.671731 0.500000 Hg\n0.468991 0.000000 0.333333 Te\n0.000000 0.468991 0.666667 Te\n0.531009 0.531009 0.000000 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hg",
"Te"
],
"chemical_system": "Hg-Te",
"density": 8.483330761019614,
"density_atomic": 0.031133070461716015,
"volume": 192.72111330548435,
"volume_molar": 19.343227862492263,
"formula_full": "Hg3 Te3",
"formula_reduced": "HgTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0013549999999999,
"spacegroup": 152
}
]
}