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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226154

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-1226154
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 5
  • Element list: ['Fe', 'Cu', 'Te', 'Cl', 'O']
  • Chemical System: Cl-Cu-Fe-O-Te
  • Density: 4.554847427290833
  • Atomic Density: 0.05874404249368753
  • Unit Cell Volume: 1106.4951821622544
  • Molar Volume: 10.251491903450674
  • Full Formula: Fe8 Cu3 Te12 Cl10 O32
  • Reduced Formula: Fe8Cu3Te12(Cl5O16)2
  • Formula Anonymous: A3B8C10D12E32
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -387.10310586
  • Final energy per atom: -5.955432397846154
  • 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.