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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228198

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-1228198
  • 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: 38
  • Number of elements: 6
  • Element list: ['Ca', 'Mg', 'Zn', 'As', 'H', 'O']
  • Chemical System: As-Ca-H-Mg-O-Zn
  • Density: 3.5090310167754164
  • Atomic Density: 0.09148375470002773
  • Unit Cell Volume: 415.37429377052536
  • Molar Volume: 6.5827433293991975
  • Full Formula: Ca4 Mg1 Zn1 As4 H8 O20
  • Reduced Formula: Ca4MgZnAs4(H2O5)4
  • Formula Anonymous: ABC4D4E8F20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -236.77852394
  • Final energy per atom: -6.231013787894737
  • 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.