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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228605

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-1228605
  • 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: 27
  • Number of elements: 3
  • Element list: ['Al', 'Mo', 'S']
  • Chemical System: Al-Mo-S
  • Density: 4.582008648055168
  • Atomic Density: 0.05472067591611418
  • Unit Cell Volume: 493.41495783770137
  • Molar Volume: 11.005238256252232
  • Full Formula: Al3 Mo8 S16
  • Reduced Formula: Al3(MoS2)8
  • Formula Anonymous: A3B8C16
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -192.71180244
  • Final energy per atom: -7.137474164444445
  • 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.