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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225259

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-1225259
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['K', 'Mo', 'As', 'H', 'O']
  • Chemical System: As-H-K-Mo-O
  • Density: 3.321368096206436
  • Atomic Density: 0.06684553413178253
  • Unit Cell Volume: 1555.8257010104724
  • Molar Volume: 9.00903977837571
  • Full Formula: K10 Mo16 As2 H12 O64
  • Reduced Formula: K5Mo8As(H3O16)2
  • Formula Anonymous: AB5C6D8E32
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -751.4939784400001
  • Final energy per atom: -7.225903638846154
  • 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.