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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203774

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-1203774
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 5
  • Element list: ['Rb', 'Ti', 'V', 'P', 'O']
  • Chemical System: O-P-Rb-Ti-V
  • Density: 3.149513389242188
  • Atomic Density: 0.06805028207269405
  • Unit Cell Volume: 1587.0617536108086
  • Molar Volume: 8.849545625052528
  • Full Formula: Rb8 Ti4 V12 P12 O72
  • Reduced Formula: Rb2TiV3(PO6)3
  • Formula Anonymous: AB2C3D3E18
  • Spacegroup Number: 184
  • Spacegroup Symbol: P6cc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -860.08034535
  • Final energy per atom: -7.963706901388889
  • 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.