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  1. Third-Parties
  2. MatprojStructure
  3. mp-699468

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-699468
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Cs', 'Ag', 'B', 'H']
  • Chemical System: Ag-B-Cs-H
  • Density: 2.329383533386503
  • Atomic Density: 0.08597354517655945
  • Unit Cell Volume: 1023.570678855675
  • Molar Volume: 7.004643983951853
  • Full Formula: Cs4 Ag4 B40 H40
  • Reduced Formula: CsAg(BH)10
  • Formula Anonymous: ABC10D10
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -440.21377161
  • Final energy per atom: -5.002429222840909
  • 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.