Apr 28

MgMnGe ICSD-anchored CIF (P4/nmm, a=4.120, c=6.880)

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6

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Predict Curie temperature from a CIFsuccess
Predict Curie temperature from a CIFsuccess

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Magnetic anisotropy energy

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Expand a crystal structure into a supercell

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Extract crystal structure metadata

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Estimate ZT and key thermoelectric properties

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Exchange couplings (TB2J)

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Jul 13

84 uses

Structure sanity card for a CIF

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Aug 8

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Relax a crystal structure and publish results

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Aug 13

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Score a rare-earth-free magnet candidate

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Aug 28

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Ground-state SCF

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Jul 12

39 uses

Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)

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Jul 20

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DFT structure relaxation

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Aug 1

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Structure relaxation via NequIP-OAM-XL

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Mar 16

32 uses

Relax a crystal structure with animation

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Jul 30

30 uses

Predict Seebeck coefficient and band gap

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Mar 16

27 uses

Crystal-Likeness Score (synthesizability) from CIF

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Jul 30

26 uses

Create an interstitially doped structure

file.cif→file.cif

Jul 30

22 uses

Magnetic ordering (FM vs AFM)

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Sep 4

15 uses

Energy Gate Check

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Jul 27

15 uses

Analyze a CIF and create a structure report

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Jul 15

7 uses

Simulate an X-ray diffraction pattern

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Apr 8

7 uses

Synthesis report from CIF file

file.cif→file.html

Feb 3

5 uses

Band structure

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Jul 12

4 uses

Check phonon stability

file.cif→file.png

Mar 16

4 uses

Charge density

file.cif→file.cubefile.cube

Jul 12

2 uses

Density of states

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Jul 12

2 uses

Band gap

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Jul 12

2 uses

Check whether a CIF is a valid crystal structure

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Jul 23

1 use

Generate OLED features from a CIF

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Jul 15

Projected density of states

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Jul 13

Estimate minimum lattice thermal conductivity

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Mar 16

Generate surface slabs

file.cif→file.zip

May 4

Generate point-defect candidates

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Apr 8

You've seen it all

Attribution

ARR license

Cu2Sb-type MgMnGe. P4/nmm #129, Z=2, 6 atoms. a=4.120 Å, c=6.880 Å, c/a=1.670. Antiferromagnetic, TN≈480K. Large local Mn moments. Mg at 2a, Mn at 2c (z≈0.28), Ge at 2b.

40

Relax a crystal structure

file.cif→file.cif

Jun 26

6.9k uses

Calculate energy above the convex hull

file.cif→file.html

Jun 30

6.6k uses

Predict Curie temperature from a CIF

file.cif→JSON

Apr 13

6.2k uses

Estimate magnetic moments and Ms from a CIF

file.cif→JSON

Jun 17

4.9k uses

Predict a crystal property with ALIGNN

file.cif→JSON

Jul 4

2.0k uses

Estimate raw material cost per kg

file.cif→JSON

Jul 22

1.7k uses

Calculate phonon dispersion and band structure

file.cif→file.png

Jul 3

645 uses

Magnetic moments

file.cif→JSON

Jul 12

182 uses

Magnetic anisotropy energy

file.cif→JSON

Jul 12

171 uses

Expand a crystal structure into a supercell

file.cif→file.cif

Apr 29

150 uses

Extract crystal structure metadata

file.cif→JSON

Jun 16

125 uses

Estimate ZT and key thermoelectric properties

file.cif→JSON

Mar 16

91 uses

Exchange couplings (TB2J)

file.cif→file.json

Jul 13

84 uses

Structure sanity card for a CIF

file.cif→JSON

Aug 8

47 uses

Relax a crystal structure and publish results

file.cif→post

Aug 13

47 uses

Score a rare-earth-free magnet candidate

file.cif→JSON

Aug 28

41 uses

Ground-state SCF

file.cif→file.cubefile.cube

Jul 12

39 uses

Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)

file.cif→JSON

Jul 20

36 uses

DFT structure relaxation

file.cif→file.cif

Aug 1

34 uses

Structure relaxation via NequIP-OAM-XL

file.cif→file.cif

Mar 16

32 uses

Relax a crystal structure with animation

file.cif→file.mp4

Jul 30

30 uses

Predict Seebeck coefficient and band gap

file.cif→JSON

Mar 16

27 uses

Crystal-Likeness Score (synthesizability) from CIF

file.cif→JSON

Jul 30

26 uses

Create an interstitially doped structure

file.cif→file.cif

Jul 30

22 uses

Magnetic ordering (FM vs AFM)

file.cif→JSON

Sep 4

15 uses

Energy Gate Check

file.cif→unknown

Jul 27

15 uses

Analyze a CIF and create a structure report

file.cif→post

Jul 15

7 uses

Simulate an X-ray diffraction pattern

file.cif→file.xy

Apr 8

7 uses

Synthesis report from CIF file

file.cif→file.html

Feb 3

5 uses

Band structure

file.cif→file.json

Jul 12

4 uses

Check phonon stability

file.cif→file.png

Mar 16

4 uses

Charge density

file.cif→file.cubefile.cube

Jul 12

2 uses

Density of states

file.cif→JSON

Jul 12

2 uses

Band gap

file.cif→JSON

Jul 12

2 uses

Check whether a CIF is a valid crystal structure

file.cif→JSON

Jul 23

1 use

Generate OLED features from a CIF

file.cif→dataset

Jul 15

Projected density of states

file.cif→JSON

Jul 13

Estimate minimum lattice thermal conductivity

file.cif→JSON

Mar 16

Generate surface slabs

file.cif→file.zip

May 4

Generate point-defect candidates

file.cif→file.zip

Apr 8

You've seen it all

Stats

Size: 1.11 KB
Type: .cif file
Downloads: 1

Connections

6

Derived assets

Referenced by

Cu₂Sb-Type P4/nmm Survey: Mn₂Sb, MnAlGe, MgMnGe, KMnP
Structural survey of four Mn-bearing Cu₂Sb-type compounds for rare-earth-free permanent magnet screening. ICSD-anchored CIFs, lattice parameters, Wyckoff positions, and magnetic properties.

Included in datasets

RE-free permanent magnet candidates: curated dataset for Oliynyk collaboration
Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.

Linked from

Rare-earth-free permanent magnet candidates: curated dataset for Oliynyk synthesizability collaboration
24 RE-free magnetic intermetallic candidates across 6 structural families, with predicted properties, experimental benchmarks, and CIFs. Prepared for Anton Oliynyk's synthesizability ranking engine.

ActionsTools that work with this file

Available for this file

Recent runs

Predict Curie temperature from a CIFsuccess
Predict Curie temperature from a CIFsuccess