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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226126

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-1226126
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Co', 'Re', 'Mo', 'S']
  • Chemical System: Co-Mo-Re-S
  • Density: 6.452859399715974
  • Atomic Density: 0.057423355478740994
  • Unit Cell Volume: 226.38872095889275
  • Molar Volume: 10.487267262237033
  • Full Formula: Co1 Re2 Mo2 S8
  • Reduced Formula: CoRe2(MoS4)2
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -98.55880012
  • Final energy per atom: -7.581446163076923
  • 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.