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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235957

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-1235957
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'Al', 'B', 'O']
  • Chemical System: Al-B-Li-O-Sr
  • Density: 2.6583910505796697
  • Atomic Density: 0.07376418859178743
  • Unit Cell Volume: 176.237280558216
  • Molar Volume: 8.164043928316833
  • Full Formula: Sr1 Li1 Al2 B2 O7
  • Reduced Formula: SrLiAl2B2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -95.72049604
  • Final energy per atom: -7.36311508
  • 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.