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  1. Third-Parties
  2. MatprojStructure
  3. mp-1410408

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-1410408
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Co', 'S']
  • Chemical System: Ca-Co-S
  • Density: 3.834000019773292
  • Atomic Density: 0.05638515612635728
  • Unit Cell Volume: 230.5571340596704
  • Molar Volume: 10.680365496380963
  • Full Formula: Ca1 Co4 S8
  • Reduced Formula: Ca(CoS2)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -74.38483533
  • Final energy per atom: -5.7219104100000004
  • 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.