Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1217435

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-1217435
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Tb', 'Y', 'Ni', 'B', 'C']
  • Chemical System: B-C-Ni-Tb-Y
  • Density: 6.650036848879151
  • Atomic Density: 0.09127099330777182
  • Unit Cell Volume: 197.21490199304407
  • Molar Volume: 6.598088332065088
  • Full Formula: Tb1 Y2 Ni6 B6 C3
  • Reduced Formula: TbY2Ni6(B2C)3
  • Formula Anonymous: AB2C3D6E6
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -129.12853045
  • Final energy per atom: -7.173807247222222
  • 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.