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  1. Third-Parties
  2. MatprojStructure
  3. mp-729553

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-729553
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Rb', 'P', 'N', 'O']
  • Chemical System: N-O-P-Rb
  • Density: 2.882906606710709
  • Atomic Density: 0.05343669862599772
  • Unit Cell Volume: 561.411927970501
  • Molar Volume: 11.269672181937793
  • Full Formula: Rb6 P6 N6 O12
  • Reduced Formula: RbPNO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -200.68002481
  • Final energy per atom: -6.689334160333333
  • 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.