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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180460

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-1180460
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Mo', 'C', 'Se', 'N']
  • Chemical System: C-Mo-N-Se
  • Density: 3.463142373128421
  • Atomic Density: 0.03769773213849443
  • Unit Cell Volume: 689.6966614458624
  • Molar Volume: 15.974809142034804
  • Full Formula: Mo3 C8 Se13 N2
  • Reduced Formula: Mo3C8Se13N2
  • Formula Anonymous: A2B3C8D13
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -156.78981553
  • Final energy per atom: -6.030377520384615
  • 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.