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  1. Third-Parties
  2. MatprojStructure
  3. mp-31257

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-31257
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 2
  • Element list: ['Mo', 'S']
  • Chemical System: Mo-S
  • Density: 4.7343166895739905
  • Atomic Density: 0.04732451144827739
  • Unit Cell Volume: 1436.8875223216953
  • Molar Volume: 12.725204287807193
  • Full Formula: Mo30 S38
  • Reduced Formula: Mo15S19
  • Formula Anonymous: A15B19
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -545.45671457
  • Final energy per atom: -8.021422273088236
  • 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.