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  1. Third-Parties
  2. MatprojStructure
  3. mp-728774

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-728774
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['K', 'Cr', 'As', 'H', 'O']
  • Chemical System: As-Cr-H-K-O
  • Density: 2.6508246023907738
  • Atomic Density: 0.06108841998276335
  • Unit Cell Volume: 785.7463004206629
  • Molar Volume: 9.858072547463498
  • Full Formula: K6 Cr6 As3 H3 O30
  • Reduced Formula: K2Cr2AsHO10
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 145
  • Spacegroup Symbol: P3_2
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -323.27639591
  • Final energy per atom: -6.734924914791667
  • 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.