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  1. Third-Parties
  2. MatprojStructure
  3. mp-697925

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-697925
  • 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: 56
  • Number of elements: 5
  • Element list: ['Na', 'Yb', 'H', 'C', 'O']
  • Chemical System: C-H-Na-O-Yb
  • Density: 2.67134646376046
  • Atomic Density: 0.0798578647299615
  • Unit Cell Volume: 701.2458971870009
  • Molar Volume: 7.541074107558229
  • Full Formula: Na10 Yb2 H8 C8 O28
  • Reduced Formula: Na5YbH4(C2O7)2
  • Formula Anonymous: AB4C4D5E14
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -367.54935599
  • Final energy per atom: -6.563381356964285
  • 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.