Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-14326

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-14326
  • 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: 77
  • Number of elements: 3
  • Element list: ['Tm', 'Ni', 'C']
  • Chemical System: C-Ni-Tm
  • Density: 9.514001148137234
  • Atomic Density: 0.08091953906553344
  • Unit Cell Volume: 951.5625136920372
  • Molar Volume: 7.442134284925813
  • Full Formula: Tm11 Ni60 C6
  • Reduced Formula: Tm11(Ni10C)6
  • Formula Anonymous: A6B11C60
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -473.69447524
  • Final energy per atom: -6.151876301818182
  • 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.