Discovery proposals: 5 organizer-equal QE materials

#37
submissions/OSC-01186_1NCr2F2-1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1NCr2F2-1",
4
+ "osc_id": "OSC-01186",
5
+ "formula": "Cr2F2N",
6
+ "method_name": "Organizer-equal QE (pw.x scf/nscf, PSLibrary PAW) + published A_d lookup",
7
+ "provisional_score": 32.1,
8
+ "track": "open",
9
+ "note": "nitride-fluoride, band n=0.95"
10
+ }
submissions/OSC-01310_1NNb2-1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1NNb2-1",
4
+ "osc_id": "OSC-01310",
5
+ "formula": "NNb2",
6
+ "method_name": "Organizer-equal QE (pw.x scf/nscf, PSLibrary PAW) + published A_d lookup",
7
+ "provisional_score": 27.6,
8
+ "track": "open",
9
+ "note": "nitride, band n=0.85"
10
+ }
submissions/OSC-01723_1BiTe2-1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1BiTe2-1",
4
+ "osc_id": "OSC-01723",
5
+ "formula": "BiTe2",
6
+ "method_name": "Organizer-equal QE (pw.x scf/nscf, PSLibrary PAW) + published A_d lookup",
7
+ "provisional_score": 26.8,
8
+ "track": "open",
9
+ "note": "pnictide-telluride"
10
+ }
submissions/OSC-01878_2BrSc-1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2BrSc-1",
4
+ "osc_id": "OSC-01878",
5
+ "formula": "Br2Sc2",
6
+ "method_name": "Organizer-equal QE (pw.x scf/nscf, PSLibrary PAW) + published A_d lookup",
7
+ "provisional_score": 30.6,
8
+ "track": "open",
9
+ "note": "halide"
10
+ }
submissions/OSC-01979_2VCl3-1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2VCl3-1",
4
+ "osc_id": "OSC-01979",
5
+ "formula": "Cl6V2",
6
+ "method_name": "Organizer-equal QE (pw.x scf/nscf, PSLibrary PAW) + published A_d lookup",
7
+ "provisional_score": 34.2,
8
+ "track": "open",
9
+ "note": "halide, band n=0.82 near dome"
10
+ }