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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232265

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-1232265
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Tm', 'Mg', 'S']
  • Chemical System: Mg-S-Tm
  • Density: 5.509603863669259
  • Atomic Density: 0.04735755366595043
  • Unit Cell Volume: 1182.4935129675712
  • Molar Volume: 12.71632568371
  • Full Formula: Tm16 Mg8 S32
  • Reduced Formula: Tm2MgS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -337.4315752
  • Final energy per atom: -6.025563842857143
  • 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.