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  1. Third-Parties
  2. MatprojStructure
  3. mp-510608

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-510608
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'As', 'H', 'O']
  • Chemical System: As-Cu-H-O-Zn
  • Density: 4.139868507996326
  • Atomic Density: 0.07876180324809595
  • Unit Cell Volume: 457.07434968955323
  • Molar Volume: 7.646016865599866
  • Full Formula: Zn4 Cu4 As4 H4 O20
  • Reduced Formula: ZnCuAsHO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -206.24704574000003
  • Final energy per atom: -5.729084603888889
  • 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.