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  1. Third-Parties
  2. MatprojStructure
  3. mp-505375

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-505375
  • 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: 24
  • Number of elements: 4
  • Element list: ['Cs', 'B', 'C', 'F']
  • Chemical System: B-C-Cs-F
  • Density: 2.753256788775802
  • Atomic Density: 0.06223033888668304
  • Unit Cell Volume: 385.66397723949837
  • Molar Volume: 9.677178154157064
  • Full Formula: Cs2 B2 C4 F16
  • Reduced Formula: CsB(CF4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -137.37588642
  • Final energy per atom: -5.7239952675
  • 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.