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{
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"structure_string": "Sm6 Te3 O18\n1.0\n4.600457 -7.968226 -0.000000\n4.600457 7.968226 0.000000\n0.000000 0.000000 5.370858\nSm Te O\n6 3 18\ndirect\n0.391384 0.000000 0.000000 Sm\n0.728350 0.000000 0.500000 Sm\n0.000000 0.391384 0.000000 Sm\n0.271651 0.271651 0.500000 Sm\n0.000000 0.728350 0.500000 Sm\n0.608616 0.608616 0.000000 Sm\n0.000000 0.000000 0.000000 Te\n0.333333 0.666667 0.512934 Te\n0.666667 0.333333 0.487067 Te\n0.869231 0.805261 0.787198 O\n0.533181 0.767364 0.726921 O\n0.130770 0.936030 0.212803 O\n0.232637 0.765817 0.726921 O\n0.409388 0.544745 0.302880 O\n0.135358 0.590613 0.302880 O\n0.234183 0.466819 0.726921 O\n0.864642 0.455256 0.697121 O\n0.765817 0.232637 0.273079 O\n0.063971 0.194739 0.212803 O\n0.936030 0.130770 0.787198 O\n0.455256 0.864642 0.302880 O\n0.544745 0.409388 0.697121 O\n0.590613 0.135358 0.697121 O\n0.466819 0.234183 0.273079 O\n0.194739 0.063971 0.787198 O\n0.767364 0.533181 0.273079 O\n0.805261 0.869231 0.212803 O\n",
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{
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"created_at": "2022-09-04T14:37:11.120873Z",
"updated_at": "2022-09-04T14:37:11.120900Z",
"structure_string": "Te6 Mo1 W3 Se2\n1.0\n3.504877 -0.000000 0.000000\n-1.752439 3.035314 -0.000030\n0.000000 -0.000392 36.991348\nTe Mo W Se\n6 1 3 2\ndirect\n0.333334 0.666669 0.335622 Te\n0.333363 0.666727 0.704742 Te\n0.666639 0.333276 0.041710 Te\n0.666658 0.333315 0.141328 Te\n0.333350 0.666699 0.236395 Te\n0.333327 0.666654 0.605139 Te\n0.666677 0.333352 0.286012 Mo\n0.333314 0.666629 0.091467 W\n0.333331 0.666662 0.470453 W\n0.666679 0.333358 0.654980 W\n0.666663 0.333325 0.426579 Se\n0.666667 0.333334 0.514322 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.628926282201434,
"density_atomic": 0.030493317933679202,
"volume": 393.52883887870604,
"volume_molar": 19.74905050705774,
"formula_full": "Te6 Mo1 W3 Se2",
"formula_reduced": "Te6MoW3Se2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.851754102777778,
"spacegroup": 156
}
]
}