Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1204495

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-1204495
  • 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: 52
  • Number of elements: 4
  • Element list: ['Tb', 'Ge', 'B', 'O']
  • Chemical System: B-Ge-O-Tb
  • Density: 6.389541204690887
  • Atomic Density: 0.09261544128811243
  • Unit Cell Volume: 561.4614504533426
  • Molar Volume: 6.5023074729688375
  • Full Formula: Tb8 Ge4 B8 O32
  • Reduced Formula: Tb2Ge(BO4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -434.14365795
  • Final energy per atom: -8.348916499038461
  • 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.