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  1. Third-Parties
  2. MatprojStructure
  3. mp-867754

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-867754
  • 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: 28
  • Number of elements: 3
  • Element list: ['Ta', 'Ni', 'C']
  • Chemical System: C-Ni-Ta
  • Density: 14.207909910403151
  • Atomic Density: 0.07019947747427717
  • Unit Cell Volume: 398.8633677545519
  • Molar Volume: 8.578611945091275
  • Full Formula: Ta16 Ni8 C4
  • Reduced Formula: Ta4Ni2C
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -284.87488288
  • Final energy per atom: -10.174102959999999
  • 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.