Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-12023

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-12023
  • 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: 16
  • Number of elements: 4
  • Element list: ['Mn', 'Cu', 'Si', 'S']
  • Chemical System: Cu-Mn-S-Si
  • Density: 3.7741297176526434
  • Atomic Density: 0.053735184471579246
  • Unit Cell Volume: 297.7564915304695
  • Molar Volume: 11.20707190125147
  • Full Formula: Mn2 Cu4 Si2 S8
  • Reduced Formula: MnCu2SiS4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -90.76786012
  • Final energy per atom: -5.6729912575
  • 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.