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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220230

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-1220230
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['Rb', 'Mn', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-O-P-Rb
  • Density: 3.1726822064968236
  • Atomic Density: 0.07528157802425912
  • Unit Cell Volume: 478.2046410929268
  • Molar Volume: 7.999487946519126
  • Full Formula: Rb4 Mn2 P4 H6 O16 F4
  • Reduced Formula: Rb2MnP2H3(O4F)2
  • Formula Anonymous: AB2C2D2E3F8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -236.23601177
  • Final energy per atom: -6.562111438055556
  • 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.