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  1. Third-Parties
  2. MatprojStructure
  3. mp-15939

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-15939
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Sr', 'Al', 'B', 'O']
  • Chemical System: Al-B-O-Sr
  • Density: 2.6578657207227923
  • Atomic Density: 0.06979356312997761
  • Unit Cell Volume: 171.9356264653263
  • Molar Volume: 8.628504535274802
  • Full Formula: Sr1 Al2 B2 O7
  • Reduced Formula: SrAl2B2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -96.33903001000002
  • Final energy per atom: -8.028252500833334
  • 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.