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=433",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=431",
"results": [
{
"id": "jvasp-28932",
"created_at": "2022-09-04T14:37:44.192326Z",
"updated_at": "2022-09-04T14:37:44.192346Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n3.407692 -0.000000 0.000000\n-1.703847 2.951145 -0.000043\n0.000003 -0.000411 38.224208\nTe W Se S\n4 4 2 2\ndirect\n0.333331 0.666665 0.330341 Te\n0.666611 0.333223 0.421036 Te\n0.666645 0.333291 0.519495 Te\n0.333304 0.666610 0.231804 Te\n0.333293 0.666586 0.094349 W\n0.333294 0.666591 0.470242 W\n0.666648 0.333298 0.281116 W\n0.666764 0.333529 0.657231 W\n0.333406 0.666817 0.700364 Se\n0.333445 0.666893 0.614011 Se\n0.666620 0.333241 0.055019 S\n0.666633 0.333268 0.133737 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 6.340588386709352,
"density_atomic": 0.03121705052766822,
"volume": 384.4053104685271,
"volume_molar": 19.291190737774766,
"formula_full": "Te4 W4 Se2 S2",
"formula_reduced": "Te2W2SeS",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.84333315,
"spacegroup": 156
},
{
"id": "jvasp-11203",
"created_at": "2022-09-04T14:37:16.010512Z",
"updated_at": "2022-09-04T14:37:16.010542Z",
"structure_string": "K10 P4 Au2\n1.0\n2.808678 -4.864773 -0.000000\n2.808678 4.864773 0.000000\n-0.000000 0.000000 18.755308\nK P Au\n10 4 2\ndirect\n0.000000 0.000000 0.853854 K\n0.000000 0.000000 0.646146 K\n0.333334 0.666667 0.750000 K\n0.000000 0.000000 0.353854 K\n0.333334 0.666667 0.549150 K\n0.666667 0.333334 0.250000 K\n0.666667 0.333334 0.450850 K\n0.666667 0.333334 0.049150 K\n0.333334 0.666667 0.950850 K\n0.000000 0.000000 0.146146 K\n0.333334 0.666667 0.121221 P\n0.666667 0.333334 0.621221 P\n0.666667 0.333334 0.878779 P\n0.333334 0.666667 0.378779 P\n0.666667 0.333334 0.750000 Au\n0.333334 0.666667 0.250000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"P",
"Au"
],
"chemical_system": "Au-K-P",
"density": 2.9444489740373387,
"density_atomic": 0.031217725242071483,
"volume": 512.5293363283604,
"volume_molar": 19.290773793742297,
"formula_full": "K10 P4 Au2",
"formula_reduced": "K5P2Au",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.19360357125,
"spacegroup": 194
},
{
"id": "jvasp-110812",
"created_at": "2022-09-04T14:38:37.345877Z",
"updated_at": "2022-09-04T14:38:37.345897Z",
"structure_string": "La6 Cd2\n1.0\n7.245783 0.000000 0.000000\n-3.622892 6.275032 0.000000\n-0.000000 -0.000000 5.635727\nLa Cd\n6 2\ndirect\n0.176505 0.353009 0.250000 La\n0.646990 0.823495 0.250000 La\n0.176505 0.823495 0.250000 La\n0.823495 0.646990 0.750000 La\n0.353009 0.176505 0.750000 La\n0.823495 0.176505 0.750000 La\n0.333333 0.666666 0.750000 Cd\n0.666666 0.333333 0.250000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"Cd"
],
"chemical_system": "Cd-La",
"density": 6.857852453632001,
"density_atomic": 0.03122042216739845,
"volume": 256.2425311581438,
"volume_molar": 19.289107391662846,
"formula_full": "La6 Cd2",
"formula_reduced": "La3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1503018750000005,
"spacegroup": 194
},
{
"id": "jvasp-22549",
"created_at": "2022-09-04T14:37:31.113181Z",
"updated_at": "2022-09-04T14:37:31.113205Z",
"structure_string": "Ga4 Te6\n1.0\n8.474904 0.008726 0.006170\n6.367516 10.954432 -0.047498\n4.245012 4.853709 3.432090\nGa Te\n4 6\ndirect\n0.121408 0.993109 0.246179 Ga\n0.125913 0.667464 0.258119 Ga\n0.621408 0.340224 0.225507 Ga\n0.625913 0.665870 0.260511 Ga\n0.977230 0.004873 0.998342 Te\n0.010310 0.321406 0.037930 Te\n0.510309 0.011927 0.002149 Te\n0.015140 0.633789 0.028467 Te\n0.477231 0.328460 0.012961 Te\n0.515139 0.699545 0.929833 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ga",
"Te"
],
"chemical_system": "Ga-Te",
"density": 5.415108961996781,
"density_atomic": 0.031221443927910996,
"volume": 320.2926816289977,
"volume_molar": 19.288476131676905,
"formula_full": "Ga4 Te6",
"formula_reduced": "Ga2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3873976244444445,
"spacegroup": 9
},
{
"id": "jvasp-29595",
"created_at": "2022-09-04T14:37:05.760682Z",
"updated_at": "2022-09-04T14:37:05.760707Z",
"structure_string": "Er2 Te6\n1.0\n3.962106 -0.000000 -0.698433\n0.000000 4.584589 0.000000\n0.430546 0.000000 14.029863\nEr Te\n2 6\ndirect\n0.949109 0.250000 0.898216 Er\n0.050892 0.750000 0.101784 Er\n0.687317 0.250000 0.374631 Te\n0.552680 0.250000 0.105358 Te\n0.836245 0.250000 0.672488 Te\n0.447322 0.750000 0.894642 Te\n0.163757 0.750000 0.327512 Te\n0.312685 0.750000 0.625370 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Te"
],
"chemical_system": "Er-Te",
"density": 7.129604087968865,
"density_atomic": 0.031222453879062077,
"volume": 256.22585691013984,
"volume_molar": 19.28785220830601,
"formula_full": "Er2 Te6",
"formula_reduced": "ErTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8820558250000001,
"spacegroup": 63
},
{
"id": "jvasp-10551",
"created_at": "2022-09-04T14:37:08.500834Z",
"updated_at": "2022-09-04T14:37:08.500857Z",
"structure_string": "Rb6 B2 P4\n1.0\n6.396238 0.009430 1.674200\n-0.202910 6.393025 1.674200\n0.007560 0.007816 9.402135\nRb B P\n6 2 4\ndirect\n0.244515 0.345088 0.983141 Rb\n0.654913 0.755485 0.516858 Rb\n0.755486 0.654912 0.016858 Rb\n0.345087 0.244515 0.483142 Rb\n0.843788 0.156213 0.749999 Rb\n0.156212 0.843787 0.250000 Rb\n0.784104 0.215896 0.250000 B\n0.215896 0.784104 0.750000 B\n0.903610 0.342738 0.354690 P\n0.657262 0.096390 0.145309 P\n0.342738 0.903610 0.854690 P\n0.096390 0.657262 0.645309 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"B",
"P"
],
"chemical_system": "B-P-Rb",
"density": 2.8444592027441655,
"density_atomic": 0.03122426829220214,
"volume": 384.3164517964652,
"volume_molar": 19.286731409183904,
"formula_full": "Rb6 B2 P4",
"formula_reduced": "Rb3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3241022638888889,
"spacegroup": 15
},
{
"id": "jvasp-117597",
"created_at": "2022-09-04T14:38:51.429659Z",
"updated_at": "2022-09-04T14:38:51.429683Z",
"structure_string": "Ba1 Pd1 F1\n1.0\n3.656669 -0.000000 0.000000\n-0.000000 3.656669 0.000000\n-0.000000 -0.000000 7.185388\nBa Pd F\n1 1 1\ndirect\n0.000000 0.000000 0.360275 Ba\n0.000000 0.000000 -0.009187 Pd\n0.000000 0.000000 0.685105 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"F"
],
"chemical_system": "Ba-F-Pd",
"density": 4.541117087510042,
"density_atomic": 0.031224804679753956,
"volume": 96.07746247793789,
"volume_molar": 19.286400096858678,
"formula_full": "Ba1 Pd1 F1",
"formula_reduced": "BaPdF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3199302783333332,
"spacegroup": 99
},
{
"id": "jvasp-118591",
"created_at": "2022-09-04T14:38:52.737582Z",
"updated_at": "2022-09-04T14:38:52.737597Z",
"structure_string": "La1 N1\n1.0\n4.015139 -0.000000 0.000000\n-2.007570 3.477212 -0.000000\n0.000000 0.000000 4.587705\nLa N\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"N"
],
"chemical_system": "La-N",
"density": 3.9642762492893673,
"density_atomic": 0.03122502230266638,
"volume": 64.051195243797,
"volume_molar": 19.2862656802194,
"formula_full": "La1 N1",
"formula_reduced": "LaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.947974125,
"spacegroup": 187
},
{
"id": "jvasp-110346",
"created_at": "2022-09-04T14:38:39.000007Z",
"updated_at": "2022-09-04T14:38:39.000031Z",
"structure_string": "K2 Tl1 As1 Cl6\n1.0\n6.650644 -0.000000 3.839751\n2.216882 6.270287 3.839751\n0.000000 0.000000 7.679502\nK Tl As 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 Tl\n0.000000 0.000000 0.000000 As\n0.769725 0.230274 0.230274 Cl\n0.230274 0.230274 0.769726 Cl\n0.230274 0.769726 0.769726 Cl\n0.230274 0.769726 0.230274 Cl\n0.769725 0.230274 0.769726 Cl\n0.769725 0.769726 0.230274 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"As",
"Cl"
],
"chemical_system": "As-Cl-K-Tl",
"density": 2.9566981104572085,
"density_atomic": 0.0312259616027733,
"volume": 320.2463426814648,
"volume_molar": 19.285685535029767,
"formula_full": "K2 Tl1 As1 Cl6",
"formula_reduced": "K2TlAsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-16283",
"created_at": "2022-09-04T14:37:55.800445Z",
"updated_at": "2022-09-04T14:37:55.800467Z",
"structure_string": "Sr2 Sb4\n1.0\n0.000000 4.883211 0.056643\n4.392714 0.000000 0.000000\n0.000000 -1.947296 -8.980219\nSr Sb\n2 4\ndirect\n0.412866 0.749999 0.289364 Sr\n0.587133 0.250000 0.710636 Sr\n0.805971 0.749999 0.018351 Sb\n0.194029 0.250000 0.981650 Sb\n0.047002 0.749999 0.613627 Sb\n0.952998 0.250000 0.386374 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Sb"
],
"chemical_system": "Sb-Sr",
"density": 5.72346640780316,
"density_atomic": 0.031226236958537264,
"volume": 192.1461112322597,
"volume_molar": 19.285515472121414,
"formula_full": "Sr2 Sb4",
"formula_reduced": "SrSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6280597166666667,
"spacegroup": 11
},
{
"id": "jvasp-105016",
"created_at": "2022-09-04T14:36:48.022276Z",
"updated_at": "2022-09-04T14:36:48.022304Z",
"structure_string": "K2 Sc1 Ag1 Br6\n1.0\n6.650589 -0.000000 3.839719\n2.216863 6.270235 3.839719\n-0.000000 -0.000000 7.679438\nK Sc Ag Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.757118 0.242883 0.242882 Br\n0.242882 0.242883 0.757118 Br\n0.242882 0.757118 0.757118 Br\n0.242882 0.757118 0.242882 Br\n0.757118 0.242883 0.757118 Br\n0.757117 0.757118 0.242882 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Sc",
"density": 3.6838846022841567,
"density_atomic": 0.03122673904316206,
"volume": 320.23836962860105,
"volume_molar": 19.285205386563444,
"formula_full": "K2 Sc1 Ag1 Br6",
"formula_reduced": "K2ScAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108769",
"created_at": "2022-09-04T14:37:56.679455Z",
"updated_at": "2022-09-04T14:37:56.679476Z",
"structure_string": "K5 As4\n1.0\n5.928222 -0.038639 2.245253\n3.693002 4.637569 2.245253\n-0.016019 -0.007657 10.421326\nK As\n5 4\ndirect\n0.396194 0.396194 0.896022 K\n0.609076 0.609076 0.099994 K\n0.749744 0.749744 0.666140 K\n0.255519 0.255519 0.329868 K\n0.502642 0.502642 0.497987 K\n0.102053 0.102052 0.889995 As\n0.903194 0.903194 0.106014 As\n0.047658 0.047657 0.683497 As\n0.957619 0.957620 0.312485 As\n",
"nsites": 9,
"nelements": 2,
"elements": [
"K",
"As"
],
"chemical_system": "As-K",
"density": 2.853072349880661,
"density_atomic": 0.031228055544976086,
"volume": 288.20238221485755,
"volume_molar": 19.28439236739103,
"formula_full": "K5 As4",
"formula_reduced": "K5As4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.7155837870370372,
"spacegroup": 12
}
]
}