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=created_at&page=979",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=977",
"results": [
{
"id": "jvasp-71488",
"created_at": "2022-09-04T14:36:13.139547Z",
"updated_at": "2022-09-04T14:36:13.139573Z",
"structure_string": "Y2 Hf1 Be1\n1.0\n3.333622 0.000000 0.000000\n0.000000 3.333622 0.000000\n-0.000000 0.000000 8.301242\nY Hf Be\n2 1 1\ndirect\n0.000000 0.000000 0.967689 Y\n0.500000 0.500000 0.309573 Y\n0.500000 0.500000 0.692527 Hf\n0.000000 0.000000 0.530210 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hf",
"Be"
],
"chemical_system": "Be-Hf-Y",
"density": 6.575662148403496,
"density_atomic": 0.04335949441042553,
"volume": 92.2519981930007,
"volume_molar": 13.888862962737896,
"formula_full": "Y2 Hf1 Be1",
"formula_reduced": "Y2HfBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3021600000000007,
"spacegroup": 99
},
{
"id": "jvasp-67719",
"created_at": "2022-09-04T14:36:13.143242Z",
"updated_at": "2022-09-04T14:36:13.143267Z",
"structure_string": "Be2 Hg1 Cl1\n1.0\n4.775957 0.000000 0.000000\n0.000000 4.775957 0.000000\n-0.000000 0.000000 2.824216\nBe Hg Cl\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500001 Hg\n0.500000 0.500000 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Cl"
],
"chemical_system": "Be-Cl-Hg",
"density": 6.549064294656506,
"density_atomic": 0.062092803139156445,
"volume": 64.419704020055,
"volume_molar": 9.698613133157727,
"formula_full": "Be2 Hg1 Cl1",
"formula_reduced": "Be2HgCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6882977168749999,
"spacegroup": 123
},
{
"id": "jvasp-47999",
"created_at": "2022-09-04T14:36:13.144204Z",
"updated_at": "2022-09-04T14:36:13.144222Z",
"structure_string": "Li4 Mn4 F12\n1.0\n5.404967 0.000728 -0.330634\n-2.731936 4.660973 -0.358852\n-0.749444 -1.255003 9.795086\nLi Mn F\n4 4 12\ndirect\n0.474629 0.714439 0.929549 Li\n0.286102 0.525953 0.570551 Li\n0.714527 0.454834 0.429698 Li\n0.544695 0.285000 0.070433 Li\n0.290405 0.708932 0.249937 Mn\n-0.041174 0.040668 0.250067 Mn\n0.041517 -0.040960 0.749937 Mn\n0.709891 0.290684 0.750070 Mn\n0.344181 0.444801 0.383857 F\n0.254462 0.007450 0.143974 F\n-0.093478 0.314483 0.132752 F\n0.439134 0.039032 0.883902 F\n0.684683 0.092873 0.367203 F\n0.111344 0.363349 0.855892 F\n0.637307 -0.110805 0.644052 F\n0.774362 0.681498 0.867246 F\n-0.008127 0.744914 0.355992 F\n0.319305 0.226177 0.632711 F\n0.961389 0.561139 0.616072 F\n0.554853 0.655346 0.116110 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.2619415704137484,
"density_atomic": 0.08262458242457633,
"volume": 242.0587119851039,
"volume_molar": 7.288558178792973,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4228816177758621,
"spacegroup": 43
},
{
"id": "jvasp-74334",
"created_at": "2022-09-04T14:36:13.144273Z",
"updated_at": "2022-09-04T14:36:13.144306Z",
"structure_string": "Be2 Mo1 Se1\n1.0\n3.244981 0.000000 -0.000000\n0.000000 3.244981 -0.000000\n0.000000 0.000000 4.888379\nBe Mo Se\n2 1 1\ndirect\n0.000000 0.000000 0.280951 Be\n0.000000 0.000000 0.719049 Be\n0.500000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Se"
],
"chemical_system": "Be-Mo-Se",
"density": 6.223676184717425,
"density_atomic": 0.07770890781214204,
"volume": 51.474150295225215,
"volume_molar": 7.749614464481045,
"formula_full": "Be2 Mo1 Se1",
"formula_reduced": "Be2MoSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.795745366666667,
"spacegroup": 123
},
{
"id": "jvasp-93070",
"created_at": "2022-09-04T14:36:13.146352Z",
"updated_at": "2022-09-04T14:36:13.146386Z",
"structure_string": "Na1 Mg6 Mo1\n1.0\n6.230163 0.000069 0.000000\n-3.115022 5.395513 0.000000\n0.000000 0.000000 4.981054\nNa Mg Mo\n1 6 1\ndirect\n0.083337 0.416663 0.250000 Na\n0.107257 0.928621 0.250000 Mg\n0.571378 0.392743 0.250000 Mg\n0.571367 0.928632 0.250000 Mg\n0.422343 0.586190 0.749999 Mg\n0.913810 0.077658 0.749999 Mg\n0.913823 0.586176 0.749999 Mg\n0.416683 0.083317 0.749999 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Mo"
],
"chemical_system": "Mg-Mo-Na",
"density": 2.6256988381885926,
"density_atomic": 0.04777864264017255,
"volume": 167.43882952575876,
"volume_molar": 12.604252501172041,
"formula_full": "Na1 Mg6 Mo1",
"formula_reduced": "NaMg6Mo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0522748999999999,
"spacegroup": 187
},
{
"id": "jvasp-71377",
"created_at": "2022-09-04T14:36:13.151575Z",
"updated_at": "2022-09-04T14:36:13.151590Z",
"structure_string": "Be1 Hg1 Pb2\n1.0\n3.480227 0.000000 -0.000000\n0.000000 3.480227 -0.000000\n0.000000 -0.000000 8.531000\nBe Hg Pb\n1 1 2\ndirect\n-0.000000 0.000000 0.655444 Be\n0.500000 0.500000 0.625857 Hg\n-0.000000 0.000000 0.973816 Pb\n0.500000 0.500000 0.244883 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Pb"
],
"chemical_system": "Be-Hg-Pb",
"density": 10.028133798633203,
"density_atomic": 0.03871193727098373,
"volume": 103.32730113711392,
"volume_molar": 15.556288794965203,
"formula_full": "Be1 Hg1 Pb2",
"formula_reduced": "BeHgPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.260683085,
"spacegroup": 99
},
{
"id": "jvasp-65400",
"created_at": "2022-09-04T14:36:13.154847Z",
"updated_at": "2022-09-04T14:36:13.154870Z",
"structure_string": "Ba1 Zn1 Te2\n1.0\n3.346176 -4.311490 0.000000\n3.346176 4.311490 0.000000\n0.000000 0.000000 4.510741\nBa Zn Te\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Te\n0.500001 0.500001 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Te"
],
"chemical_system": "Ba-Te-Zn",
"density": 5.842514968708791,
"density_atomic": 0.03073306972688789,
"volume": 130.15296016786965,
"volume_molar": 19.59498616153961,
"formula_full": "Ba1 Zn1 Te2",
"formula_reduced": "BaZnTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2293144416666667,
"spacegroup": 65
},
{
"id": "jvasp-95094",
"created_at": "2022-09-04T14:36:13.156171Z",
"updated_at": "2022-09-04T14:36:13.156191Z",
"structure_string": "Na2 Te3 Mo3 O16\n1.0\n6.628266 -0.075991 -3.050736\n-3.791317 6.629742 -0.687678\n-0.021667 -0.016236 7.668097\nNa Te Mo O\n2 3 3 16\ndirect\n0.500000 0.913162 0.086837 Na\n-0.000001 0.514316 0.485683 Na\n-0.000001 0.003850 0.996150 Te\n0.502453 0.394097 0.050892 Te\n0.497546 0.949107 0.605902 Te\n0.986704 0.489598 0.972282 Mo\n0.013295 0.027717 0.510401 Mo\n0.500000 0.422062 0.577937 Mo\n0.367106 0.569913 0.536450 O\n0.654969 0.934736 0.876098 O\n0.345031 0.123901 0.065263 O\n0.078274 0.289789 0.043371 O\n0.187284 0.706642 0.186193 O\n0.921725 0.956629 0.710210 O\n0.335660 0.294052 0.755996 O\n0.122462 0.555493 0.829810 O\n0.664339 0.244003 0.705948 O\n0.812715 0.813806 0.293357 O\n0.773501 0.379979 0.112536 O\n0.770864 0.597151 0.844575 O\n0.877538 0.170190 0.444506 O\n0.229135 0.155425 0.402849 O\n0.632894 0.463549 0.430086 O\n0.226498 0.887463 0.620021 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Te",
"Mo",
"O"
],
"chemical_system": "Mo-Na-O-Te",
"density": 4.834616535310578,
"density_atomic": 0.07184464527634007,
"volume": 334.05412341709615,
"volume_molar": 8.38217063615069,
"formula_full": "Na2 Te3 Mo3 O16",
"formula_reduced": "Na2Te3Mo3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.000239375,
"spacegroup": 5
},
{
"id": "jvasp-70733",
"created_at": "2022-09-04T14:36:13.166752Z",
"updated_at": "2022-09-04T14:36:13.166776Z",
"structure_string": "Y1 Zr1 Be2\n1.0\n4.663547 0.000000 0.000000\n0.000000 4.663547 0.000000\n0.000000 0.000000 3.232408\nY Zr Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zr",
"Be"
],
"chemical_system": "Be-Y-Zr",
"density": 4.680513703342377,
"density_atomic": 0.056898537338958444,
"volume": 70.30057690536096,
"volume_molar": 10.58399924083222,
"formula_full": "Y1 Zr1 Be2",
"formula_reduced": "YZrBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7306230375,
"spacegroup": 123
},
{
"id": "jvasp-67833",
"created_at": "2022-09-04T14:36:13.167785Z",
"updated_at": "2022-09-04T14:36:13.167813Z",
"structure_string": "Be1 In1 W2\n1.0\n3.229486 0.000000 0.000000\n0.000000 3.229486 0.000000\n-0.000000 0.000000 6.212324\nBe In W\n1 1 2\ndirect\n0.000000 0.000000 0.459317 Be\n0.500001 0.500001 0.729512 In\n0.000000 0.000000 0.050388 W\n0.500001 0.500001 0.260782 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"W"
],
"chemical_system": "Be-In-W",
"density": 12.59681368941117,
"density_atomic": 0.06173608439415363,
"volume": 64.79192905176859,
"volume_molar": 9.754652921542094,
"formula_full": "Be1 In1 W2",
"formula_reduced": "BeInW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.3627315175,
"spacegroup": 99
},
{
"id": "jvasp-68868",
"created_at": "2022-09-04T14:36:13.168386Z",
"updated_at": "2022-09-04T14:36:13.168413Z",
"structure_string": "Be1 Tl2 Te1\n1.0\n3.679021 0.000000 0.000000\n0.000000 3.679021 0.000000\n-0.000000 0.000000 8.101237\nBe Tl Te\n1 2 1\ndirect\n0.000000 0.000000 0.655598 Be\n0.000000 0.000000 0.980614 Tl\n0.500000 0.500000 0.236655 Tl\n0.500000 0.500000 0.627133 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Te"
],
"chemical_system": "Be-Te-Tl",
"density": 8.259076027837041,
"density_atomic": 0.03647910043142419,
"volume": 109.6518267362284,
"volume_molar": 16.50846837991747,
"formula_full": "Be1 Tl2 Te1",
"formula_reduced": "BeTl2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4086747666666667,
"spacegroup": 99
},
{
"id": "jvasp-95376",
"created_at": "2022-09-04T14:36:13.168429Z",
"updated_at": "2022-09-04T14:36:13.168456Z",
"structure_string": "Bi6 Cl2 O8\n1.0\n5.369651 -0.000000 -1.572795\n-0.444497 5.367252 -1.517548\n-0.010112 -0.113118 9.918086\nBi Cl O\n6 2 8\ndirect\n0.107124 0.607126 0.714262 Bi\n0.607137 0.107126 0.714262 Bi\n0.892876 0.392874 0.285739 Bi\n0.392862 0.892874 0.285738 Bi\n0.250013 0.250000 0.000000 Bi\n0.749987 0.750000 0.000000 Bi\n0.500000 0.500000 0.500000 Cl\n0.000000 -0.000000 0.500000 Cl\n0.582145 0.082139 0.164269 O\n0.417876 0.417861 0.835732 O\n0.417855 0.917861 0.835731 O\n0.582124 0.582138 0.164269 O\n0.082145 0.582151 0.164279 O\n0.917855 0.417848 0.835722 O\n0.917866 0.917848 0.835722 O\n0.082133 0.082151 0.164279 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O",
"density": 8.471836880700284,
"density_atomic": 0.056188513371398054,
"volume": 284.7557096633307,
"volume_molar": 10.717743536289186,
"formula_full": "Bi6 Cl2 O8",
"formula_reduced": "Bi3ClO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.6372351209375,
"spacegroup": 123
}
]
}