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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200471

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-1200471
  • 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: 40
  • Number of elements: 6
  • Element list: ['Cs', 'V', 'B', 'P', 'H', 'O']
  • Chemical System: B-Cs-H-O-P-V
  • Density: 3.015318187133417
  • Atomic Density: 0.0917918972235392
  • Unit Cell Volume: 435.76831081929487
  • Molar Volume: 6.5606452662530605
  • Full Formula: Cs1 V3 B2 P4 H8 O22
  • Reduced Formula: CsV3B2P4(H4O11)2
  • Formula Anonymous: AB2C3D4E8F22
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -292.01057967
  • Final energy per atom: -7.300264491750001
  • 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.