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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197081

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-1197081
  • 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: 40
  • Number of elements: 6
  • Element list: ['Na', 'Mn', 'Si', 'B', 'H', 'O']
  • Chemical System: B-H-Mn-Na-O-Si
  • Density: 3.05408725468643
  • Atomic Density: 0.09061449361427418
  • Unit Cell Volume: 441.4304864988943
  • Molar Volume: 6.645891313629053
  • Full Formula: Na2 Mn4 Si6 B2 H4 O22
  • Reduced Formula: NaMn2Si3BH2O11
  • Formula Anonymous: ABC2D2E3F11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -312.09582247
  • Final energy per atom: -7.802395561749999
  • 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.