Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1077982

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-1077982
  • 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: 7
  • Number of elements: 4
  • Element list: ['Tb', 'Fe', 'Si', 'C']
  • Chemical System: C-Fe-Si-Tb
  • Density: 7.7455242446114925
  • Atomic Density: 0.06560131931778383
  • Unit Cell Volume: 106.70517106661868
  • Molar Volume: 9.179907999757958
  • Full Formula: Tb2 Fe2 Si2 C1
  • Reduced Formula: Tb2Fe2Si2C
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -46.82681758
  • Final energy per atom: -6.689545368571428
  • 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.