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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019555

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1019555
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Li', 'B', 'O']
  • Chemical System: B-Ba-Li-Na-O
  • Density: 2.902622408853809
  • Atomic Density: 0.0917902579779035
  • Unit Cell Volume: 501.1425069866728
  • Molar Volume: 6.560762430202232
  • Full Formula: Ba2 Na2 Li6 B12 O24
  • Reduced Formula: BaNaLi3(BO2)6
  • Formula Anonymous: ABC3D6E12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -347.74673568
  • Final energy per atom: -7.559711645217391
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.