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=666",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=664",
"results": [
{
"id": "jvasp-108723",
"created_at": "2022-09-04T14:38:19.217070Z",
"updated_at": "2022-09-04T14:38:19.217098Z",
"structure_string": "Tm2 Sb1 Te1\n1.0\n4.141902 0.004580 6.223384\n1.885032 3.688093 6.223384\n0.007476 0.004580 7.475680\nTm Sb Te\n2 1 1\ndirect\n0.254117 0.254117 0.254117 Tm\n0.745883 0.745882 0.745882 Tm\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-Tm",
"density": 8.561446334059344,
"density_atomic": 0.03511971368872697,
"volume": 113.89614492455144,
"volume_molar": 17.147465418925208,
"formula_full": "Tm2 Sb1 Te1",
"formula_reduced": "Tm2SbTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9988280916666668,
"spacegroup": 166
},
{
"id": "jvasp-38907",
"created_at": "2022-09-04T14:38:05.171246Z",
"updated_at": "2022-09-04T14:38:05.171272Z",
"structure_string": "Pr2 Tl1 Ag1\n1.0\n0.000001 3.847270 3.847269\n3.847271 0.000001 3.847268\n3.847270 3.847268 0.000003\nPr Tl Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500001 0.500001 Pr\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Tl",
"Ag"
],
"chemical_system": "Ag-Pr-Tl",
"density": 8.661575470440239,
"density_atomic": 0.03512145550256648,
"volume": 113.89049635792294,
"volume_molar": 17.146615007341982,
"formula_full": "Pr2 Tl1 Ag1",
"formula_reduced": "Pr2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.53001739,
"spacegroup": 225
},
{
"id": "jvasp-115148",
"created_at": "2022-09-04T14:38:43.412592Z",
"updated_at": "2022-09-04T14:38:43.412621Z",
"structure_string": "Tl1 In2 S2\n1.0\n-2.604436 2.604436 5.246828\n2.604436 -2.604436 5.246828\n2.604436 2.604436 -5.246828\nTl In S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.666063 0.666063 0.000000 S\n0.333937 0.333937 0.000000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 5.810646074517632,
"density_atomic": 0.03512253111605226,
"volume": 142.35876063370674,
"volume_molar": 17.146089899106578,
"formula_full": "Tl1 In2 S2",
"formula_reduced": "Tl(InS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.4220305079999998,
"spacegroup": 139
},
{
"id": "jvasp-110025",
"created_at": "2022-09-04T14:38:13.049995Z",
"updated_at": "2022-09-04T14:38:13.050006Z",
"structure_string": "Pm1 Nd1 Mg2\n1.0\n4.711745 -0.000000 2.720328\n1.570582 4.442276 2.720328\n-0.000000 -0.000000 5.440655\nPm Nd Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500001 Nd\n0.750000 0.750001 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Nd",
"Mg"
],
"chemical_system": "Mg-Nd-Pm",
"density": 4.926484127189595,
"density_atomic": 0.03512541689981898,
"volume": 113.877651940997,
"volume_molar": 17.14468123517428,
"formula_full": "Pm1 Nd1 Mg2",
"formula_reduced": "PmNdMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.34919769375,
"spacegroup": 225
},
{
"id": "jvasp-61044",
"created_at": "2022-09-04T14:36:01.742117Z",
"updated_at": "2022-09-04T14:36:01.742147Z",
"structure_string": "As16 Se12\n1.0\n8.027923 -0.000000 0.000000\n0.000000 9.430569 0.000000\n0.000000 0.000000 10.528332\nAs Se\n16 12\ndirect\n0.250000 0.030577 0.087769 As\n0.591596 0.140845 0.772659 As\n0.408403 0.359155 0.272659 As\n0.908403 0.640845 0.727341 As\n0.408403 0.859156 0.227341 As\n0.591596 0.640845 0.727341 As\n0.908403 0.140845 0.772659 As\n0.091596 0.359155 0.272659 As\n0.091596 0.859156 0.227341 As\n0.750000 0.834374 0.434245 As\n0.750000 0.334374 0.065755 As\n0.250000 0.165626 0.565755 As\n0.250000 0.530577 0.412231 As\n0.750000 0.969423 0.912231 As\n0.750000 0.469423 0.587769 As\n0.250000 0.665626 0.934245 As\n0.750000 0.082739 0.115816 Se\n0.250000 0.417261 0.615816 Se\n0.521875 0.332146 0.913620 Se\n0.478125 0.167855 0.413620 Se\n0.021875 0.667855 0.086380 Se\n0.521875 0.832146 0.586380 Se\n0.478125 0.667855 0.086380 Se\n0.978124 0.332146 0.913620 Se\n0.021875 0.167855 0.413620 Se\n0.750000 0.582739 0.384184 Se\n0.978124 0.832146 0.586380 Se\n0.250000 0.917261 0.884184 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
"As",
"Se"
],
"chemical_system": "As-Se",
"density": 4.471280292766742,
"density_atomic": 0.035128318725944144,
"volume": 797.0777143775032,
"volume_molar": 17.143264973715713,
"formula_full": "As16 Se12",
"formula_reduced": "As4Se3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.1861467285714284,
"spacegroup": 62
},
{
"id": "jvasp-55675",
"created_at": "2022-09-04T14:38:10.082494Z",
"updated_at": "2022-09-04T14:38:10.082517Z",
"structure_string": "Ba4 Zn4 Cl16\n1.0\n6.540304 -0.000000 0.000000\n0.000000 6.765391 0.000000\n0.000000 0.000000 15.440093\nBa Zn Cl\n4 4 16\ndirect\n0.500000 0.750000 0.629433 Ba\n0.000000 0.250000 0.870567 Ba\n0.500000 0.250000 0.370567 Ba\n0.000000 0.750000 0.129433 Ba\n0.000000 0.750000 0.388880 Zn\n0.500000 0.250000 0.111120 Zn\n0.000000 0.250000 0.611120 Zn\n0.500000 0.750000 0.888880 Zn\n0.743193 0.595157 0.462367 Cl\n0.243194 0.404843 0.037632 Cl\n0.243194 0.904843 0.962367 Cl\n0.743193 0.095157 0.537632 Cl\n0.256806 0.404843 0.537632 Cl\n0.756806 0.595157 0.962367 Cl\n0.862438 0.987125 0.298549 Cl\n0.137562 0.012875 0.701451 Cl\n0.637561 0.487125 0.201451 Cl\n0.137562 0.512875 0.298549 Cl\n0.256806 0.904843 0.462367 Cl\n0.637561 0.987125 0.798549 Cl\n0.362438 0.512875 0.798549 Cl\n0.862438 0.487125 0.701451 Cl\n0.362438 0.012875 0.201451 Cl\n0.756806 0.095157 0.037632 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Cl"
],
"chemical_system": "Ba-Cl-Zn",
"density": 3.3497937939509654,
"density_atomic": 0.03512938066879242,
"volume": 683.1888164006452,
"volume_molar": 17.14274674176034,
"formula_full": "Ba4 Zn4 Cl16",
"formula_reduced": "BaZnCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 60
},
{
"id": "jvasp-106897",
"created_at": "2022-09-04T14:36:51.299535Z",
"updated_at": "2022-09-04T14:36:51.299562Z",
"structure_string": "Na2 La1 Cu1 Cl6\n1.0\n6.394494 -0.000000 3.691863\n2.131498 6.028787 3.691863\n-0.000000 -0.000000 7.383726\nNa La Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Cu\n0.737753 0.262247 0.262247 Cl\n0.262247 0.262247 0.737753 Cl\n0.262247 0.737754 0.737753 Cl\n0.262247 0.737754 0.262246 Cl\n0.737753 0.262247 0.737753 Cl\n0.737753 0.737754 0.262246 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"La",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-La-Na",
"density": 2.690163525296076,
"density_atomic": 0.035130821321589165,
"volume": 284.6503333485869,
"volume_molar": 17.142043748061127,
"formula_full": "Na2 La1 Cu1 Cl6",
"formula_reduced": "Na2LaCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-113540",
"created_at": "2022-09-04T14:38:49.273156Z",
"updated_at": "2022-09-04T14:38:49.273166Z",
"structure_string": "Ca1 Ag1\n1.0\n3.103347 -0.000000 0.000000\n-0.000000 3.103347 -0.000000\n0.000000 -0.000000 5.910702\nCa Ag\n1 1\ndirect\n0.000000 0.000000 0.749997 Ca\n0.000000 0.000000 0.250003 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca",
"density": 4.31571910784695,
"density_atomic": 0.03513421494713279,
"volume": 56.92456777558408,
"volume_molar": 17.140387992336372,
"formula_full": "Ca1 Ag1",
"formula_reduced": "CaAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.41137,
"spacegroup": 123
},
{
"id": "jvasp-109935",
"created_at": "2022-09-04T14:38:46.386795Z",
"updated_at": "2022-09-04T14:38:46.386822Z",
"structure_string": "Ca1 Ce1 In2\n1.0\n4.711256 -0.000000 2.720045\n1.570419 4.441814 2.720045\n-0.000000 -0.000000 5.440089\nCa Ce In\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Ce\n0.750001 0.749999 0.749999 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"In"
],
"chemical_system": "Ca-Ce-In",
"density": 5.977915427048518,
"density_atomic": 0.03513637182783345,
"volume": 113.84214681014335,
"volume_molar": 17.13933581278171,
"formula_full": "Ca1 Ce1 In2",
"formula_reduced": "CaCeIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.071601465,
"spacegroup": 225
},
{
"id": "jvasp-113717",
"created_at": "2022-09-04T14:38:46.867714Z",
"updated_at": "2022-09-04T14:38:46.867740Z",
"structure_string": "Sr1 Sb1 O1\n1.0\n5.216068 0.071052 0.000000\n-0.062049 4.499226 0.000000\n0.000000 0.000000 3.637474\nSr Sb O\n1 1 1\ndirect\n-0.143056 0.415095 0.000000 Sr\n0.383369 -0.084992 0.000000 Sb\n-0.005309 -0.084881 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sr",
"density": 4.38329587535959,
"density_atomic": 0.035136518372928104,
"volume": 85.38125400356776,
"volume_molar": 17.139264329159953,
"formula_full": "Sr1 Sb1 O1",
"formula_reduced": "SrSbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6044186366666668,
"spacegroup": 25
},
{
"id": "jvasp-2922",
"created_at": "2022-09-04T14:37:07.786960Z",
"updated_at": "2022-09-04T14:37:07.786980Z",
"structure_string": "K3 Au1 O1\n1.0\n5.220799 0.000000 0.000000\n0.000000 5.220799 0.000000\n0.000000 0.000000 5.220799\nK Au O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Au",
"O"
],
"chemical_system": "Au-K-O",
"density": 3.853854348226429,
"density_atomic": 0.03513654740849416,
"volume": 142.30197241266978,
"volume_molar": 17.139250165894683,
"formula_full": "K3 Au1 O1",
"formula_reduced": "K3AuO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-90622",
"created_at": "2022-09-04T14:36:04.286378Z",
"updated_at": "2022-09-04T14:36:04.286393Z",
"structure_string": "Li2 La2 Bi4\n1.0\n4.578323 0.000000 -0.000000\n-0.000000 4.578323 0.000000\n-0.000000 0.000000 10.861380\nLi La Bi\n2 2 4\ndirect\n0.749999 0.250000 0.000000 Li\n0.250000 0.749999 0.000000 Li\n0.749999 0.749999 0.256200 La\n0.250000 0.250000 0.743800 La\n0.749999 0.749999 0.841906 Bi\n0.250000 0.250000 0.158094 Bi\n0.749999 0.250000 0.500000 Bi\n0.250000 0.749999 0.500000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"La",
"Bi"
],
"chemical_system": "Bi-La-Li",
"density": 8.224545332287203,
"density_atomic": 0.0351392203191355,
"volume": 227.66583684395238,
"volume_molar": 17.137946446468444,
"formula_full": "Li2 La2 Bi4",
"formula_reduced": "LiLaBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8953134000000001,
"spacegroup": 129
}
]
}