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  1. Third-Parties
  2. MatprojStructure
  3. mp-730074

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-730074
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Rb', 'Ca', 'H', 'N', 'O']
  • Chemical System: Ca-H-N-O-Rb
  • Density: 2.14985207541793
  • Atomic Density: 0.07748138135440279
  • Unit Cell Volume: 696.9416272149556
  • Molar Volume: 7.772371445540573
  • Full Formula: Rb4 Ca2 H16 N24 O8
  • Reduced Formula: Rb2CaH8(N3O)4
  • Formula Anonymous: AB2C4D8E12
  • Spacegroup Number: 68
  • Spacegroup Symbol: Ccce1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -339.34877302
  • Final energy per atom: -6.284236537407407
  • 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.