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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211692

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-1211692
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['K', 'Ca', 'Er', 'Cu', 'S']
  • Chemical System: Ca-Cu-Er-K-S
  • Density: 4.618100989664169
  • Atomic Density: 0.0436204012565674
  • Unit Cell Volume: 458.5010550995067
  • Molar Volume: 13.805789462088724
  • Full Formula: K2 Ca2 Er4 Cu2 S10
  • Reduced Formula: KCaEr2CuS5
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -114.45521355
  • Final energy per atom: -5.7227606775
  • 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.