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{
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{
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"created_at": "2022-09-04T14:38:12.786772Z",
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{
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"structure_string": "Li8 Sn2 B4 O12\n1.0\n3.431616 0.000000 0.000000\n0.000000 8.831281 0.000000\n0.000000 0.000000 9.243509\nLi Sn B O\n8 2 4 12\ndirect\n0.500001 0.807271 0.979310 Li\n0.000000 0.992144 0.808147 Li\n0.500001 0.492144 0.691853 Li\n0.000000 0.307271 0.520690 Li\n0.000000 0.692729 0.479310 Li\n0.500001 0.507856 0.308147 Li\n0.000000 0.007856 0.191853 Li\n0.500001 0.192729 0.020690 Li\n0.000000 0.500000 0.000000 Sn\n0.500001 0.000000 0.500000 Sn\n0.500001 0.760539 0.229918 B\n0.000000 0.260539 0.270082 B\n0.500001 0.239461 0.770082 B\n0.000000 0.739461 0.729918 B\n0.000000 0.225462 0.123542 O\n0.500001 0.361521 0.867620 O\n0.000000 0.774538 0.876458 O\n0.500001 0.094560 0.825676 O\n0.000000 0.594560 0.674325 O\n0.500001 0.274538 0.623542 O\n0.000000 0.861521 0.632380 O\n0.000000 0.138479 0.367620 O\n0.500001 0.725462 0.376458 O\n0.000000 0.405440 0.325676 O\n0.500001 0.905440 0.174324 O\n0.500001 0.638479 0.132380 O\n",
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"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.3418744512820515,
"spacegroup": 58
},
{
"id": "jvasp-95286",
"created_at": "2022-09-04T14:36:04.862083Z",
"updated_at": "2022-09-04T14:36:04.862116Z",
"structure_string": "Sr4 Li4 B4 O12\n1.0\n6.083266 0.000000 -2.194235\n0.000000 6.733810 0.000000\n-0.017395 0.000000 6.919157\nSr Li B O\n4 4 4 12\ndirect\n0.197834 0.124411 0.864874 Sr\n0.802166 0.875589 0.135126 Sr\n0.697835 0.375589 0.364874 Sr\n0.302165 0.624411 0.635126 Sr\n0.601621 0.090925 0.694689 Li\n0.898379 0.590925 0.805311 Li\n0.398379 0.909075 0.305311 Li\n0.101621 0.409075 0.194689 Li\n0.189910 0.135737 0.426076 B\n0.689910 0.364263 0.926075 B\n0.810090 0.864263 0.573924 B\n0.310090 0.635737 0.073924 B\n0.840330 0.886339 0.782700 O\n0.392559 0.801134 0.007256 O\n0.159669 0.113661 0.217300 O\n0.340330 0.613660 0.282700 O\n0.804217 0.509916 0.062395 O\n0.304216 0.990084 0.562395 O\n0.195783 0.490084 0.937605 O\n0.892559 0.698865 0.507256 O\n0.107441 0.301135 0.492744 O\n0.659669 0.386339 0.717300 O\n0.695783 0.009916 0.437604 O\n0.607441 0.198865 0.992744 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Li",
"B",
"O"
],
"chemical_system": "B-Li-O-Sr",
"density": 3.5974372283474954,
"density_atomic": 0.08475286609208146,
"volume": 283.1762641976581,
"volume_molar": 7.105530512038523,
"formula_full": "Sr4 Li4 B4 O12",
"formula_reduced": "SrLiBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.7115065655555557,
"spacegroup": 14
},
{
"id": "jvasp-49810",
"created_at": "2022-09-04T14:37:02.167922Z",
"updated_at": "2022-09-04T14:37:02.167943Z",
"structure_string": "Li4 Ti2 B4 O12\n1.0\n5.045857 -0.090064 -0.007278\n0.159476 5.902750 -0.061539\n0.351706 1.951663 7.892020\nLi Ti B O\n4 2 4 12\ndirect\n0.336014 0.676449 0.606739 Li\n0.170294 0.490607 0.203697 Li\n0.860242 0.488752 0.784776 Li\n0.694526 0.302919 0.381720 Li\n0.360895 -0.001470 0.245201 Ti\n0.669656 -0.019168 0.743251 Ti\n0.849244 0.831500 0.434682 B\n0.363786 0.307146 0.898592 B\n0.666763 0.672224 0.089860 B\n0.181303 0.147859 0.553771 B\n0.909924 0.170526 0.582691 O\n0.302656 0.248794 0.401452 O\n0.807373 0.538510 0.208403 O\n0.613572 0.214471 0.860799 O\n0.416979 0.764896 0.127650 O\n0.319360 -0.008189 0.677916 O\n0.727888 0.730566 0.586999 O\n0.120626 0.808840 0.405757 O\n0.747753 0.728556 0.917334 O\n0.282806 0.250811 0.071119 O\n0.223171 0.440856 0.780053 O\n0.711194 0.987549 0.310534 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"B",
"O"
],
"chemical_system": "B-Li-O-Ti",
"density": 2.5263339768711606,
"density_atomic": 0.09330197517955302,
"volume": 235.79350766864863,
"volume_molar": 6.454462243067007,
"formula_full": "Li4 Ti2 B4 O12",
"formula_reduced": "Li2Ti(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9070995,
"spacegroup": 2
}
]
}