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  1. Third-Parties
  2. MatprojStructure
  3. mp-758942

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-758942
  • 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: 104
  • Number of elements: 5
  • Element list: ['Na', 'Y', 'H', 'C', 'O']
  • Chemical System: C-H-Na-O-Y
  • Density: 2.1493646281240237
  • Atomic Density: 0.09348419521427248
  • Unit Cell Volume: 1112.4875147250777
  • Molar Volume: 6.441881160977876
  • Full Formula: Na4 Y4 H32 C16 O48
  • Reduced Formula: NaYH8(CO3)4
  • Formula Anonymous: ABC4D8E12
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -705.19380539
  • Final energy per atom: -6.780709667211538
  • 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.