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  1. Third-Parties
  2. MatprojStructure
  3. mp-769552

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-769552
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 35
  • Number of elements: 6
  • Element list: ['Li', 'Mg', 'Cr', 'Se', 'S', 'O']
  • Chemical System: Cr-Li-Mg-O-S-Se
  • Density: 3.043134099314719
  • Atomic Density: 0.07480947532635318
  • Unit Cell Volume: 467.85517272128936
  • Molar Volume: 8.04997058691919
  • Full Formula: Li1 Mg1 Cr3 Se2 S4 O24
  • Reduced Formula: LiMgCr3Se2(SO6)4
  • Formula Anonymous: ABC2D3E4F24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -242.01111834
  • Final energy per atom: -6.914603381142857
  • 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.