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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=496",
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"results": [
{
"id": "jvasp-105720",
"created_at": "2022-09-04T14:36:02.186765Z",
"updated_at": "2022-09-04T14:36:02.186793Z",
"structure_string": "Ba2 Br6\n1.0\n6.860426 0.000000 0.000000\n-3.430213 5.941303 -0.000000\n-0.000000 -0.000000 6.059049\nBa Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.171670 0.343338 0.250000 Br\n0.656663 0.828330 0.250000 Br\n0.171670 0.828330 0.250000 Br\n0.828331 0.656662 0.750000 Br\n0.343338 0.171669 0.750000 Br\n0.828331 0.171669 0.750000 Br\n",
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{
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"created_at": "2022-09-04T14:36:56.654553Z",
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"structure_string": "Th1 Bi3\n1.0\n4.979638 -0.000000 0.000000\n0.000000 4.979638 -0.000000\n0.000000 -0.000000 4.979638\nTh Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
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"volume": 123.47906072334989,
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{
"id": "jvasp-76876",
"created_at": "2022-09-04T14:38:04.384666Z",
"updated_at": "2022-09-04T14:38:04.384690Z",
"structure_string": "Ca1 Tl1 Hg2\n1.0\n-10.730663 0.000000 -6.195351\n-6.899072 -1.211700 -0.441159\n-5.305378 3.295950 -3.201519\nCa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 -0.000000 Tl\n0.746906 -0.000000 -0.000000 Hg\n0.253094 -0.000000 -0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Tl",
"Hg"
],
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"density": 8.682972160095424,
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"volume": 123.47299771241329,
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"formula_full": "Ca1 Tl1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-36189",
"created_at": "2022-09-04T14:38:32.548315Z",
"updated_at": "2022-09-04T14:38:32.548345Z",
"structure_string": "Ba2 Pd2\n1.0\n-4.434677 0.000000 0.000000\n0.000000 0.000000 -4.709751\n-2.217338 -5.911638 -0.000000\nBa Pd\n2 2\ndirect\n0.138480 0.750000 0.723041 Ba\n0.861521 0.250000 0.276960 Ba\n0.427582 0.750000 0.144836 Pd\n0.572419 0.250000 0.855164 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Pd",
"density": 6.556175940775202,
"density_atomic": 0.03239606179876503,
"volume": 123.47179804899879,
"volume_molar": 18.589113693534102,
"formula_full": "Ba2 Pd2",
"formula_reduced": "BaPd",
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"energy_above_hull": 0.160060835,
"spacegroup": 63
},
{
"id": "jvasp-28368",
"created_at": "2022-09-04T14:36:06.111776Z",
"updated_at": "2022-09-04T14:36:06.111805Z",
"structure_string": "Zr1 Te2\n1.0\n3.983975 0.000005 -0.000050\n-1.991983 3.450216 -0.000000\n-0.000111 -0.000064 6.736285\nZr Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666654 0.333328 0.733828 Te\n0.333350 0.666676 0.266173 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Te"
],
"chemical_system": "Te-Zr",
"density": 6.21260028783438,
"density_atomic": 0.032399447005880946,
"volume": 92.5941729639848,
"volume_molar": 18.58717143816343,
"formula_full": "Zr1 Te2",
"formula_reduced": "ZrTe2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-3975",
"created_at": "2022-09-04T14:36:38.749640Z",
"updated_at": "2022-09-04T14:36:38.749662Z",
"structure_string": "Rb2 Li2 Br4\n1.0\n4.164243 0.000000 -1.201901\n0.000000 7.542522 0.000000\n0.012378 0.000000 7.857788\nRb Li Br\n2 2 4\ndirect\n0.627272 0.750000 0.254543 Rb\n0.372729 0.250000 0.745457 Rb\n0.892279 0.750000 0.784558 Li\n0.107721 0.250000 0.215442 Li\n0.304414 0.750000 0.608827 Br\n0.695585 0.250000 0.391173 Br\n0.000000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.03239959785921514,
"volume": 246.91664491522783,
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"formula_full": "Rb2 Li2 Br4",
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"spacegroup": 63
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{
"id": "jvasp-18639",
"created_at": "2022-09-04T14:36:52.715134Z",
"updated_at": "2022-09-04T14:36:52.715159Z",
"structure_string": "Th1 Bi1\n1.0\n3.951971 0.000000 -0.000000\n0.000000 3.951971 -0.000000\n0.000000 0.000000 3.951971\nTh Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Bi-Th",
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"volume": 61.722178625522865,
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"formula_full": "Th1 Bi1",
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{
"id": "jvasp-90803",
"created_at": "2022-09-04T14:35:50.864705Z",
"updated_at": "2022-09-04T14:35:50.864714Z",
"structure_string": "Mg2 Si2 Sb4\n1.0\n-6.419866 0.000000 -0.000000\n-0.000000 6.419866 -0.000000\n3.209932 -3.209932 -5.989572\nMg Si Sb\n2 2 4\ndirect\n0.750001 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750001 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.875001 0.848335 0.250000 Sb\n0.375000 0.401666 0.250000 Sb\n0.598335 0.125000 0.750000 Sb\n0.151666 0.625001 0.750000 Sb\n",
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"density": 3.9809961036926156,
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"volume": 246.8582900703484,
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"formula_full": "Mg2 Si2 Sb4",
"formula_reduced": "MgSiSb2",
"formula_anonymous": "ABC2",
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"spacegroup": 122
},
{
"id": "jvasp-94329",
"created_at": "2022-09-04T14:36:33.934539Z",
"updated_at": "2022-09-04T14:36:33.934556Z",
"structure_string": "Ce2 Se4\n1.0\n-2.074661 3.593419 -0.000000\n-4.149322 -0.000000 -0.000000\n-2.074661 1.197807 12.415495\nCe Se\n2 4\ndirect\n0.916303 0.916302 0.251091 Ce\n0.083604 0.083603 0.749189 Ce\n0.791592 0.791590 0.625225 Se\n0.627736 0.627735 0.116792 Se\n0.538464 0.538462 0.384610 Se\n0.375703 0.375701 0.872894 Se\n",
"nsites": 6,
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"elements": [
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"formula_full": "Ce2 Se4",
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},
{
"id": "jvasp-13848",
"created_at": "2022-09-04T14:37:16.808830Z",
"updated_at": "2022-09-04T14:37:16.808855Z",
"structure_string": "Yb2 Se2\n1.0\n2.472242 -4.282049 -0.000000\n2.472242 4.282049 0.000000\n0.000000 0.000000 5.828644\nYb Se\n2 2\ndirect\n0.666667 0.333333 0.562494 Yb\n0.333333 0.666667 0.062494 Yb\n0.666667 0.333333 0.062506 Se\n0.333333 0.666667 0.562505 Se\n",
"nsites": 4,
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},
{
"id": "jvasp-100084",
"created_at": "2022-09-04T14:36:51.167120Z",
"updated_at": "2022-09-04T14:36:51.167153Z",
"structure_string": "K3 Au1 Cl6\n1.0\n6.568405 0.000000 3.792271\n2.189468 6.192752 3.792271\n0.000000 0.000000 7.584541\nK Au Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.767731 0.232269 0.232269 Cl\n0.232269 0.232269 0.767731 Cl\n0.232270 0.767731 0.767731 Cl\n0.232270 0.767731 0.232269 Cl\n0.767731 0.232269 0.767730 Cl\n0.767732 0.767731 0.232269 Cl\n",
"nsites": 10,
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"volume": 308.5126062612785,
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"formula_full": "K3 Au1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-28991",
"created_at": "2022-09-04T14:37:39.963136Z",
"updated_at": "2022-09-04T14:37:39.963149Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.320941 -0.000000 -0.000000\n-1.660471 2.876254 0.000121\n-0.000000 0.001615 38.755253\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333269 0.666537 0.708422 Te\n0.333265 0.666531 0.609665 Te\n0.666818 0.333637 0.281782 Mo\n0.333272 0.666545 0.093901 W\n0.333312 0.666625 0.468094 W\n0.666671 0.333342 0.659197 W\n0.666743 0.333486 0.424547 Se\n0.666745 0.333488 0.511429 Se\n0.333297 0.666596 0.321056 S\n0.666648 0.333296 0.054651 S\n0.666648 0.333296 0.133531 S\n0.333303 0.666607 0.242475 S\n",
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],
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"density": 5.332778375810166,
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