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  1. Third-Parties
  2. MatprojStructure
  3. mp-1019517

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-1019517
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Ba', 'Mg', 'Si', 'N']
  • Chemical System: Ba-Mg-N-Si
  • Density: 5.0251940348766775
  • Atomic Density: 0.05511322477612425
  • Unit Cell Volume: 471.75610038452203
  • Molar Volume: 10.926852465016468
  • Full Formula: Ba8 Mg2 Si4 N12
  • Reduced Formula: Ba4Mg(SiN3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -168.48351214
  • Final energy per atom: -6.480135082307692
  • 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.