Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1209278

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-1209278
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 3
  • Element list: ['Tb', 'Cu', 'Sb']
  • Chemical System: Cu-Sb-Tb
  • Density: 8.467872562024887
  • Atomic Density: 0.056164205305305845
  • Unit Cell Volume: 1210.7355499887403
  • Molar Volume: 10.722382213482664
  • Full Formula: Tb6 Cu40 Sb22
  • Reduced Formula: Tb3Cu20Sb11
  • Formula Anonymous: A3B11C20
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -298.78017371
  • Final energy per atom: -4.393826083970588
  • 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.