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=3530",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3528",
"results": [
{
"id": "jvasp-80087",
"created_at": "2022-09-04T14:36:51.037820Z",
"updated_at": "2022-09-04T14:36:51.037843Z",
"structure_string": "La2 Zn1 Ru1\n1.0\n-0.000000 3.648855 3.648855\n3.648855 -0.000000 3.648855\n3.648855 3.648855 -0.000000\nLa Zn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Zn",
"Ru"
],
"chemical_system": "La-Ru-Zn",
"density": 7.593041350466001,
"density_atomic": 0.04116803889352867,
"volume": 97.16275313344528,
"volume_molar": 14.628194399968464,
"formula_full": "La2 Zn1 Ru1",
"formula_reduced": "La2ZnRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5989177250000002,
"spacegroup": 225
},
{
"id": "jvasp-29479",
"created_at": "2022-09-04T14:38:29.496463Z",
"updated_at": "2022-09-04T14:38:29.496485Z",
"structure_string": "V8 S18 Br8\n1.0\n7.064086 0.000000 -0.000000\n0.000000 10.812747 0.000000\n-0.000000 -0.000000 10.812747\nV S Br\n8 18 8\ndirect\n0.365691 0.887429 0.887429 V\n0.634310 0.387429 0.387429 V\n0.365691 0.612572 0.612572 V\n0.634310 0.112572 0.387429 V\n0.634310 0.387429 0.112572 V\n0.365691 0.612572 0.887429 V\n0.365691 0.887429 0.612572 V\n0.634310 0.112572 0.112572 V\n0.619141 0.560890 0.250000 S\n0.483818 0.250000 0.250000 S\n0.380859 0.439111 0.750000 S\n0.868801 0.467157 0.250000 S\n0.619141 0.939111 0.250000 S\n0.868801 0.250000 0.467157 S\n0.131199 0.532843 0.750000 S\n0.131199 0.967157 0.750000 S\n0.619141 0.250000 0.560890 S\n0.380859 0.060889 0.750000 S\n0.131199 0.750000 0.532843 S\n0.516182 0.750000 0.750000 S\n0.131199 0.750000 0.967157 S\n0.868801 0.250000 0.032843 S\n0.619141 0.250000 0.939111 S\n0.380859 0.750000 0.439111 S\n0.380859 0.750000 0.060889 S\n0.868801 0.032843 0.250000 S\n0.716687 0.555172 0.555172 Br\n0.283313 0.444829 0.055171 Br\n0.716687 0.944829 0.944829 Br\n0.283313 0.055171 0.055171 Br\n0.283313 0.055171 0.444829 Br\n0.716687 0.944829 0.555172 Br\n0.716687 0.555172 0.944829 Br\n0.283313 0.444829 0.444829 Br\n",
"nsites": 34,
"nelements": 3,
"elements": [
"V",
"S",
"Br"
],
"chemical_system": "Br-S-V",
"density": 3.2650468068946545,
"density_atomic": 0.04116715518245851,
"volume": 825.9011303867685,
"volume_molar": 14.628508414800685,
"formula_full": "V8 S18 Br8",
"formula_reduced": "V4S9Br4",
"formula_anonymous": "A4B4C9",
"energy_above_hull": 2.4703384247058824,
"spacegroup": 129
},
{
"id": "jvasp-119656",
"created_at": "2022-09-04T14:38:36.634687Z",
"updated_at": "2022-09-04T14:38:36.634707Z",
"structure_string": "K1 In5 S8\n1.0\n9.565362 -0.004696 2.149086\n8.772005 3.814197 2.149086\n-0.016688 -0.003467 9.307388\nK In S\n1 5 8\ndirect\n0.517699 0.517698 0.512601 K\n0.999853 0.999853 0.000811 In\n0.715144 0.715143 0.663012 In\n0.286934 0.286933 0.338402 In\n0.357457 0.357456 0.899257 In\n0.643162 0.643163 0.099964 In\n0.934199 0.934198 0.775596 S\n0.066179 0.066179 0.224174 S\n0.586308 0.586307 0.877807 S\n0.413663 0.413663 0.121542 S\n0.237902 0.237901 0.847683 S\n0.762218 0.762218 0.154062 S\n0.163543 0.163542 0.525431 S\n0.836731 0.836731 0.476145 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"In",
"S"
],
"chemical_system": "In-K-S",
"density": 4.246369754317811,
"density_atomic": 0.041164527168113696,
"volume": 340.09864713919245,
"volume_molar": 14.629442323984202,
"formula_full": "K1 In5 S8",
"formula_reduced": "KIn5S8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 0.9853312749999998,
"spacegroup": 8
},
{
"id": "jvasp-99448",
"created_at": "2022-09-04T14:36:34.004929Z",
"updated_at": "2022-09-04T14:36:34.004941Z",
"structure_string": "La2 Ni1 Pt1\n1.0\n5.845090 0.002027 0.000000\n-4.510023 3.718167 0.000000\n-0.000000 -0.000000 4.469255\nLa Ni Pt\n2 1 1\ndirect\n0.862673 0.137328 0.499999 La\n0.134795 0.865207 -0.000000 La\n0.587098 0.412903 0.499999 Ni\n0.415438 0.584563 -0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ni",
"Pt"
],
"chemical_system": "La-Ni-Pt",
"density": 9.084199652499525,
"density_atomic": 0.04116443112217289,
"volume": 97.17126876181783,
"volume_molar": 14.629476457786447,
"formula_full": "La2 Ni1 Pt1",
"formula_reduced": "La2NiPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6464909499999998,
"spacegroup": 38
},
{
"id": "jvasp-68106",
"created_at": "2022-09-04T14:35:44.982993Z",
"updated_at": "2022-09-04T14:35:44.983021Z",
"structure_string": "Ca1 Be1 Tl2\n1.0\n3.598414 0.000000 -0.000000\n0.000000 3.598414 0.000000\n-0.000000 0.000000 7.504613\nCa Be Tl\n1 1 2\ndirect\n0.499999 0.499999 0.720811 Ca\n0.000000 0.000000 0.465283 Be\n0.000000 0.000000 0.012202 Tl\n0.499999 0.499999 0.301703 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Tl"
],
"chemical_system": "Be-Ca-Tl",
"density": 7.823988296800689,
"density_atomic": 0.04116322893669322,
"volume": 97.17410668030392,
"volume_molar": 14.629903716401163,
"formula_full": "Ca1 Be1 Tl2",
"formula_reduced": "CaBeTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.07279043,
"spacegroup": 99
},
{
"id": "jvasp-88740",
"created_at": "2022-09-04T14:36:03.130209Z",
"updated_at": "2022-09-04T14:36:03.130235Z",
"structure_string": "Na12 Fe2 Se8\n1.0\n9.284241 0.000000 -0.000000\n-4.642121 8.040389 0.000000\n0.000000 0.000000 7.159764\nNa Fe Se\n12 2 8\ndirect\n0.147211 0.852789 0.541681 Na\n0.470833 0.529168 0.869715 Na\n0.529167 0.058334 0.369716 Na\n0.470833 0.941666 0.869715 Na\n0.058334 0.529168 0.869715 Na\n0.529167 0.470833 0.369716 Na\n0.941666 0.470833 0.369716 Na\n0.705578 0.852789 0.541681 Na\n0.147211 0.294422 0.541681 Na\n0.852789 0.705578 0.041682 Na\n0.294422 0.147211 0.041682 Na\n0.852789 0.147211 0.041682 Na\n0.333333 0.666667 0.252934 Fe\n0.666667 0.333333 0.752933 Fe\n0.625348 0.812674 0.144190 Se\n0.333333 0.666667 0.598503 Se\n0.666667 0.333333 0.098503 Se\n0.187326 0.812674 0.144190 Se\n0.374652 0.187326 0.644190 Se\n0.812674 0.625348 0.644190 Se\n0.187326 0.374652 0.144190 Se\n0.812674 0.187326 0.644190 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Fe",
"Se"
],
"chemical_system": "Fe-Na-Se",
"density": 3.16669666344058,
"density_atomic": 0.04116238282220609,
"volume": 534.4685727992293,
"volume_molar": 14.630204441787571,
"formula_full": "Na12 Fe2 Se8",
"formula_reduced": "Na6FeSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4365684515151517,
"spacegroup": 186
},
{
"id": "jvasp-42850",
"created_at": "2022-09-04T14:36:01.018314Z",
"updated_at": "2022-09-04T14:36:01.018345Z",
"structure_string": "Pr2 Ag1 Ir1\n1.0\n-0.000000 3.649050 3.649050\n3.649050 0.000000 3.649050\n3.649050 3.649050 0.000000\nPr Ag Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.250001 0.250001 0.250001 Ag\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir-Pr",
"density": 9.94325070290449,
"density_atomic": 0.04116143936329521,
"volume": 97.17833151303525,
"volume_molar": 14.630539779836049,
"formula_full": "Pr2 Ag1 Ir1",
"formula_reduced": "Pr2AgIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.805044515,
"spacegroup": 225
},
{
"id": "jvasp-79430",
"created_at": "2022-09-04T14:36:44.164853Z",
"updated_at": "2022-09-04T14:36:44.164883Z",
"structure_string": "Li1 Tm2 In1\n1.0\n0.000011 3.649053 3.649061\n3.649059 0.000007 3.649065\n3.649054 3.649054 0.000010\nLi Tm In\n1 2 1\ndirect\n0.750001 0.750001 0.749999 Li\n0.000000 -0.000000 0.000000 Tm\n0.499999 0.500000 0.499998 Tm\n0.250000 0.249998 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tm",
"In"
],
"chemical_system": "In-Li-Tm",
"density": 7.853884633444361,
"density_atomic": 0.0411613378433757,
"volume": 97.17857119271792,
"volume_molar": 14.63057586445571,
"formula_full": "Li1 Tm2 In1",
"formula_reduced": "LiTm2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6633921175,
"spacegroup": 225
},
{
"id": "jvasp-28972",
"created_at": "2022-09-04T14:37:15.198301Z",
"updated_at": "2022-09-04T14:37:15.198327Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257344 0.000000 0.000000\n-1.628672 2.821021 0.001315\n0.000000 0.014425 31.727910\nMo W Se S\n2 2 4 4\ndirect\n0.334940 0.669881 0.476483 Mo\n0.665632 0.331264 0.275028 Mo\n0.333505 0.667010 0.072457 W\n0.665998 0.331998 0.678966 W\n0.332198 0.664397 0.328552 Se\n0.332185 0.664371 0.732747 Se\n0.332290 0.664581 0.221530 Se\n0.332972 0.665944 0.625066 Se\n0.667086 0.334171 0.023537 S\n0.668567 0.337134 0.427723 S\n0.666635 0.333271 0.121431 S\n0.667985 0.335970 0.525227 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.716423498142995,
"density_atomic": 0.04115948463999996,
"volume": 291.54883995651534,
"volume_molar": 14.63123460527373,
"formula_full": "Mo2 W2 Se4 S4",
"formula_reduced": "MoW(SeS)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.673495438888889,
"spacegroup": 156
},
{
"id": "jvasp-107677",
"created_at": "2022-09-04T14:36:59.265910Z",
"updated_at": "2022-09-04T14:36:59.265937Z",
"structure_string": "Mn1 Sn3\n1.0\n4.190063 0.230075 -4.273448\n-0.538580 4.161670 -4.273448\n-0.191294 -0.230075 5.981839\nMn Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500001 -0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 7.023501235851279,
"density_atomic": 0.041157675571641315,
"volume": 97.18721828781074,
"volume_molar": 14.63187771505106,
"formula_full": "Mn1 Sn3",
"formula_reduced": "MnSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4501930853448275,
"spacegroup": 139
},
{
"id": "jvasp-110450",
"created_at": "2022-09-04T14:38:38.802311Z",
"updated_at": "2022-09-04T14:38:38.802336Z",
"structure_string": "Mg2 Sn2\n1.0\n5.764442 -0.030441 1.531227\n4.774641 3.229943 1.531227\n0.003780 0.001147 5.180750\nMg Sn\n2 2\ndirect\n0.372546 0.372547 0.773289 Mg\n0.627454 0.627453 0.226712 Mg\n0.114154 0.114155 0.737993 Sn\n0.885845 0.885845 0.262009 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.886871418987632,
"density_atomic": 0.04115572152758052,
"volume": 97.19183266704239,
"volume_molar": 14.632572426082389,
"formula_full": "Mg2 Sn2",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.2595078714285714,
"spacegroup": 12
},
{
"id": "jvasp-68418",
"created_at": "2022-09-04T14:35:54.522715Z",
"updated_at": "2022-09-04T14:35:54.522731Z",
"structure_string": "Be1 Tl2 Hg1\n1.0\n3.318656 0.000000 -0.000000\n0.000000 3.318656 0.000000\n-0.000000 -0.000000 8.824942\nBe Tl Hg\n1 2 1\ndirect\n0.000000 0.000000 0.574625 Be\n0.000000 0.000000 0.962940 Tl\n0.500001 0.500001 0.296954 Tl\n0.500001 0.500001 0.665480 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Hg"
],
"chemical_system": "Be-Hg-Tl",
"density": 10.564776633650576,
"density_atomic": 0.04115509958443492,
"volume": 97.1933014472117,
"volume_molar": 14.632793556105513,
"formula_full": "Be1 Tl2 Hg1",
"formula_reduced": "BeTl2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0060042375,
"spacegroup": 99
}
]
}