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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229098

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-1229098
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Cs', 'B', 'As', 'P']
  • Chemical System: As-B-Cs-P
  • Density: 3.606910459060936
  • Atomic Density: 0.025285640412920744
  • Unit Cell Volume: 474.5776576759394
  • Molar Volume: 23.81644546729668
  • Full Formula: Cs6 B2 As2 P2
  • Reduced Formula: Cs3BAsP
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -43.26675519
  • Final energy per atom: -3.6055629325
  • 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.