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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202439

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-1202439
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['K', 'Cr', 'As', 'O']
  • Chemical System: As-Cr-K-O
  • Density: 2.5610479593634614
  • Atomic Density: 0.05546449992997215
  • Unit Cell Volume: 811.3297705165589
  • Molar Volume: 10.857649068509367
  • Full Formula: K6 Cr6 As3 O30
  • Reduced Formula: K2Cr2AsO10
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 144
  • Spacegroup Symbol: P3_1
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -304.04085905
  • Final energy per atom: -6.756463534444444
  • 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.