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{
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{
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{
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"structure_string": "Ti6 Ga16 Os7\n1.0\n7.493935 0.000000 4.326626\n2.497978 7.065350 4.326626\n0.000000 -0.000000 8.653251\nTi Ga Os\n6 16 7\ndirect\n0.788332 0.788332 0.211669 Ti\n0.211669 0.788332 0.211669 Ti\n0.788332 0.211668 0.211668 Ti\n0.211668 0.211668 0.788332 Ti\n0.788332 0.211668 0.788332 Ti\n0.211669 0.788332 0.788332 Ti\n0.377111 0.377111 0.377111 Ga\n0.868669 0.377111 0.377111 Ga\n0.377111 0.868668 0.377111 Ga\n0.377111 0.377111 0.868668 Ga\n0.622890 0.622889 0.622889 Ga\n0.131332 0.622889 0.622889 Ga\n0.622890 0.131332 0.622889 Ga\n0.622890 0.622889 0.131332 Ga\n0.559027 0.146991 0.146991 Ga\n0.146991 0.559027 0.146991 Ga\n0.146991 0.146991 0.559027 Ga\n0.853010 0.853009 0.853009 Ga\n0.440974 0.853009 0.853009 Ga\n0.853010 0.440973 0.853009 Ga\n0.853010 0.853009 0.440974 Ga\n0.146991 0.146991 0.146991 Ga\n0.000000 0.500000 0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
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{
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{
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{
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{
"id": "jvasp-15817",
"created_at": "2022-09-04T14:35:53.832439Z",
"updated_at": "2022-09-04T14:35:53.832464Z",
"structure_string": "Ti5 Te4\n1.0\n3.631043 -0.000000 0.952847\n1.815522 7.224048 0.476423\n-0.018108 0.000001 7.463889\nTi Te\n5 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.314483 0.064328 0.306705 Ti\n0.621188 0.693295 0.064328 Ti\n0.378810 0.306705 0.935673 Ti\n0.685515 0.935673 0.693295 Ti\n0.059407 0.219971 0.661213 Te\n0.720619 0.338787 0.219972 Te\n0.279378 0.661213 0.780029 Te\n0.940591 0.780029 0.338787 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.354820569858658,
"density_atomic": 0.04593978084324685,
"volume": 195.90864028518763,
"volume_molar": 13.108771198862295,
"formula_full": "Ti5 Te4",
"formula_reduced": "Ti5Te4",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.921400303703704,
"spacegroup": 87
}
]
}