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"structure_string": "Ba2 Sn2 Ge6 O18\n1.0\n3.495801 -6.054905 0.000000\n3.495801 6.054905 -0.000000\n0.000000 -0.000000 10.406532\nBa Sn Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.073002 0.294692 0.250000 Ge\n0.705308 0.778310 0.250000 Ge\n0.221690 0.926998 0.250000 Ge\n0.221690 0.294692 0.750000 Ge\n0.073002 0.778309 0.750000 Ge\n0.705308 0.926998 0.750000 Ge\n0.568273 0.926451 0.891602 O\n0.073549 0.431727 0.391602 O\n0.358178 0.926450 0.391602 O\n0.073549 0.431727 0.108398 O\n0.358178 0.926450 0.108398 O\n0.568273 0.641822 0.108398 O\n0.358178 0.431727 0.891602 O\n0.568273 0.926451 0.608398 O\n0.793780 0.066029 0.250000 O\n0.073549 0.641822 0.891602 O\n0.272249 0.206220 0.250000 O\n0.933971 0.727751 0.250000 O\n0.073549 0.641822 0.608398 O\n0.793780 0.727751 0.750000 O\n0.933971 0.206220 0.750000 O\n0.272249 0.066029 0.750000 O\n0.358178 0.431727 0.608398 O\n0.568273 0.641822 0.391602 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Ge",
"O"
],
"chemical_system": "Ba-Ge-O-Sn",
"density": 4.658472098649816,
"density_atomic": 0.06355767118333429,
"volume": 440.5447757711738,
"volume_molar": 9.47508089563088,
"formula_full": "Ba2 Sn2 Ge6 O18",
"formula_reduced": "BaSn(GeO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 1.999323358571428,
"spacegroup": 188
},
{
"id": "jvasp-35200",
"created_at": "2022-09-04T14:38:14.759817Z",
"updated_at": "2022-09-04T14:38:14.759845Z",
"structure_string": "Na2 Sr2 P6 O18\n1.0\n6.874642 0.000139 0.017779\n0.909408 7.108095 -0.007660\n1.307560 0.666686 7.583093\nNa Sr P O\n2 2 6 18\ndirect\n0.460077 0.371707 0.349058 Na\n0.539923 0.628293 0.650942 Na\n0.011629 0.729791 0.642420 Sr\n0.988371 0.270209 0.357580 Sr\n0.397779 0.881111 0.273610 P\n0.206133 0.662619 0.050791 P\n0.602221 0.118889 0.726390 P\n0.164011 0.209644 0.732633 P\n0.835989 0.790356 0.267366 P\n0.793867 0.337382 0.949208 P\n0.259028 0.652717 0.856093 O\n0.354155 0.733074 0.424453 O\n0.645845 0.266926 0.575547 O\n0.313175 0.831274 0.103309 O\n0.686825 0.168727 0.896691 O\n0.231128 0.489576 0.174653 O\n0.768872 0.510424 0.825347 O\n0.740972 0.347283 0.143907 O\n0.633020 0.854053 0.195171 O\n0.028700 0.255029 0.919119 O\n0.822675 0.616391 0.396633 O\n0.177325 0.383609 0.603366 O\n0.662182 0.914961 0.700874 O\n0.366980 0.145947 0.804828 O\n0.916231 0.946726 0.337913 O\n0.083769 0.053274 0.662087 O\n0.971300 0.744971 0.080881 O\n0.337818 0.085039 0.299126 O\n",
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"elements": [
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],
"chemical_system": "Na-O-P-Sr",
"density": 3.1157119972936287,
"density_atomic": 0.07558739422954412,
"volume": 370.4321373345598,
"volume_molar": 7.967123118058465,
"formula_full": "Na2 Sr2 P6 O18",
"formula_reduced": "NaSr(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.409902379285714,
"spacegroup": 2
}
]
}