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  1. Third-Parties
  2. MatprojStructure
  3. mp-759269

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-759269
  • 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: 17
  • Number of elements: 5
  • Element list: ['Fe', 'Cu', 'As', 'H', 'O']
  • Chemical System: As-Cu-Fe-H-O
  • Density: 4.037690065592425
  • Atomic Density: 0.08486417818833479
  • Unit Cell Volume: 200.32009220984568
  • Molar Volume: 7.096210543199237
  • Full Formula: Fe2 Cu1 As2 H2 O10
  • Reduced Formula: Fe2CuAs2(HO5)2
  • Formula Anonymous: AB2C2D2E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -110.81759742
  • Final energy per atom: -6.51868220117647
  • 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.