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  1. Third-Parties
  2. MatprojStructure
  3. mp-42583

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-42583
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['Na', 'Be', 'Al', 'Si', 'Cl', 'O']
  • Chemical System: Al-Be-Cl-Na-O-Si
  • Density: 2.1673107001216554
  • Atomic Density: 0.06304271060772085
  • Unit Cell Volume: 729.6640572172093
  • Molar Volume: 9.552477521901585
  • Full Formula: Na8 Be1 Al4 Si7 Cl2 O24
  • Reduced Formula: Na8BeAl4Si7(ClO12)2
  • Formula Anonymous: AB2C4D7E8F24
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -327.38750299000003
  • Final energy per atom: -7.117119630217392
  • 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.