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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222184

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-1222184
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 6
  • Element list: ['Mg', 'Al', 'Fe', 'Si', 'B', 'O']
  • Chemical System: Al-B-Fe-Mg-O-Si
  • Density: 2.968929383796746
  • Atomic Density: 0.08824620060617869
  • Unit Cell Volume: 679.9159577165865
  • Molar Volume: 6.824249337232487
  • Full Formula: Mg2 Al12 Fe2 Si4 B4 O36
  • Reduced Formula: MgAl6FeSi2(BO9)2
  • Formula Anonymous: ABC2D2E6F18
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -483.4455124000001
  • Final energy per atom: -8.057425206666668
  • 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.