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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233826

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-1233826
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 6
  • Element list: ['Mg', 'Cd', 'Cu', 'As', 'H', 'O']
  • Chemical System: As-Cd-Cu-H-Mg-O
  • Density: 4.880640842603726
  • Atomic Density: 0.08044599980687854
  • Unit Cell Volume: 459.9358586980519
  • Molar Volume: 7.485941842300376
  • Full Formula: Mg1 Cd4 Cu4 As4 H4 O20
  • Reduced Formula: MgCd4Cu4As4(HO5)4
  • Formula Anonymous: AB4C4D4E4F20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -207.66044049
  • Final energy per atom: -5.612444337567568
  • 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.