Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1217753

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-1217753
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Tb', 'Mn', 'Ga', 'Ge']
  • Chemical System: Ga-Ge-Mn-Tb
  • Density: 7.911881361399136
  • Atomic Density: 0.05023194705391537
  • Unit Cell Volume: 179.1688462790432
  • Molar Volume: 11.988666801102228
  • Full Formula: Tb3 Mn3 Ga2 Ge1
  • Reduced Formula: Tb3Mn3Ga2Ge
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -55.22423128
  • Final energy per atom: -6.136025697777778
  • 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.