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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233681

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-1233681
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Rb', 'Ca', 'Nd', 'W', 'O']
  • Chemical System: Ca-Nd-O-Rb-W
  • Density: 6.5771611498550975
  • Atomic Density: 0.06641956500481394
  • Unit Cell Volume: 376.39511788714753
  • Molar Volume: 9.066817525172786
  • Full Formula: Rb2 Ca1 Nd2 W4 O16
  • Reduced Formula: Rb2CaNd2(WO4)4
  • Formula Anonymous: AB2C2D4E16
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -209.36542824000003
  • Final energy per atom: -8.3746171296
  • 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.