Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221813

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-1221813
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Mn', 'Cr', 'Cd', 'S']
  • Chemical System: Cd-Cr-Mn-S
  • Density: 3.9056198975230214
  • Atomic Density: 0.0521137775872946
  • Unit Cell Volume: 268.64297021164737
  • Molar Volume: 11.55575557713591
  • Full Formula: Mn1 Cr4 Cd1 S8
  • Reduced Formula: MnCr4CdS8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -95.55793741
  • Final energy per atom: -6.825566957857142
  • 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.