Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-775414

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-775414
  • 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: 68
  • Number of elements: 4
  • Element list: ['Mg', 'Cr', 'S', 'O']
  • Chemical System: Cr-Mg-O-S
  • Density: 2.882042052656107
  • Atomic Density: 0.07658599256552527
  • Unit Cell Volume: 887.8908234011685
  • Molar Volume: 7.863240467697263
  • Full Formula: Mg1 Cr7 S12 O48
  • Reduced Formula: MgCr7(SO4)12
  • Formula Anonymous: AB7C12D48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -493.699941
  • Final energy per atom: -7.26029325
  • 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.