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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173628

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-1173628
  • 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: 73
  • Number of elements: 2
  • Element list: ['Nb', 'C']
  • Chemical System: C-Nb
  • Density: 7.581563115909876
  • Atomic Density: 0.08266905046631645
  • Unit Cell Volume: 883.0390525622873
  • Molar Volume: 7.284637631653607
  • Full Formula: Nb39 C34
  • Reduced Formula: Nb39C34
  • Formula Anonymous: A34B39
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -740.24008473
  • Final energy per atom: -10.140275133287671
  • 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.