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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226370

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-1226370
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Cr', 'Co', 'Se', 'S']
  • Chemical System: Co-Cr-S-Se
  • Density: 5.773159118456773
  • Atomic Density: 0.0563519613268865
  • Unit Cell Volume: 124.21927888888187
  • Molar Volume: 10.686656893922043
  • Full Formula: Cr2 Co1 Se3 S1
  • Reduced Formula: Cr2CoSe3S
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -46.1548469
  • Final energy per atom: -6.5935495571428575
  • 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.