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  1. Third-Parties
  2. MatprojStructure
  3. mp-757398

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-757398
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['Na', 'Mn', 'P', 'H', 'N', 'O']
  • Chemical System: H-Mn-N-Na-O-P
  • Density: 2.35706467218989
  • Atomic Density: 0.10954110939316532
  • Unit Cell Volume: 456.4496404773466
  • Molar Volume: 5.497607969611949
  • Full Formula: Na2 Mn2 P4 H20 N2 O20
  • Reduced Formula: NaMnP2H10NO10
  • Formula Anonymous: ABCD2E10F10
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -312.11411434
  • Final energy per atom: -6.2422822868
  • 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.