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  1. Third-Parties
  2. MatprojStructure
  3. mp-773018

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-773018
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['Li', 'Mg', 'Cr', 'Se', 'S', 'O']
  • Chemical System: Cr-Li-Mg-O-S-Se
  • Density: 3.063983509454943
  • Atomic Density: 0.07289689086204654
  • Unit Cell Volume: 493.8482228018212
  • Molar Volume: 8.261176421634469
  • Full Formula: Li2 Mg1 Cr3 Se3 S3 O24
  • Reduced Formula: Li2MgCr3Se3(SO8)3
  • Formula Anonymous: AB2C3D3E3F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -242.63020415
  • Final energy per atom: -6.739727893055555
  • 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.