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  1. Third-Parties
  2. MatprojStructure
  3. mp-720941

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-720941
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['K', 'Ba', 'Cr', 'P', 'O']
  • Chemical System: Ba-Cr-K-O-P
  • Density: 3.8189539469003804
  • Atomic Density: 0.07729398060037779
  • Unit Cell Volume: 1966.5179464085859
  • Molar Volume: 7.791215710749105
  • Full Formula: K8 Ba8 Cr16 P24 O96
  • Reduced Formula: KBaCr2(PO4)3
  • Formula Anonymous: ABC2D3E12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -1206.5577716599998
  • Final energy per atom: -7.937880076710525
  • 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.