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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203089

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-1203089
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 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: 2.5917029682962642
  • Atomic Density: 0.05972595819997496
  • Unit Cell Volume: 803.6706558861055
  • Molar Volume: 10.082953780057604
  • Full Formula: K6 Cr6 As3 H3 O30
  • Reduced Formula: K2Cr2AsHO10
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 154
  • Spacegroup Symbol: P3_221
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -323.0042475
  • Final energy per atom: -6.729255156250001
  • 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.