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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079509

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-1079509
  • 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: 9
  • Number of elements: 4
  • Element list: ['Na', 'Ti', 'H', 'O']
  • Chemical System: H-Na-O-Ti
  • Density: 2.889651733268953
  • Atomic Density: 0.07841486884125122
  • Unit Cell Volume: 114.77415103786319
  • Molar Volume: 7.679845479550136
  • Full Formula: Na1 Ti2 H1 O5
  • Reduced Formula: NaTi2HO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -70.33079909
  • Final energy per atom: -7.814533232222222
  • 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.