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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225031

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-1225031
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 6
  • Element list: ['K', 'Rb', 'Cu', 'H', 'Se', 'O']
  • Chemical System: Cu-H-K-O-Rb-Se
  • Density: 2.650794314801125
  • Atomic Density: 0.08501134104006702
  • Unit Cell Volume: 729.3144566532428
  • Molar Volume: 7.083926316562494
  • Full Formula: K2 Rb2 Cu2 H24 Se4 O28
  • Reduced Formula: KRbCuH12(SeO7)2
  • Formula Anonymous: ABCD2E12F14
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -330.28377903
  • Final energy per atom: -5.327157726290323
  • 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.