Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1201911

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-1201911
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Tb', 'Zr', 'Ni', 'As']
  • Chemical System: As-Ni-Tb-Zr
  • Density: 8.580075308505675
  • Atomic Density: 0.06400019478230225
  • Unit Cell Volume: 562.4982880513819
  • Molar Volume: 9.409566299734578
  • Full Formula: Tb5 Zr3 Ni16 As12
  • Reduced Formula: Tb5Zr3(Ni4As3)4
  • Formula Anonymous: A3B5C12D16
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -227.28112514
  • Final energy per atom: -6.313364587222222
  • 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.