Materials
 Share
The version of the browser you are using is no longer supported. Please upgrade to a supported browser.Dismiss

 
£
%
123
 
 
 
 
 
 
 
 
 
 
 
 
 
 
ABCDEFGHIJKLMNOPQRSTUVWXYZ
1
Data extraced from https://cmr.fysik.dtu.dk/c2dm/c2dm.html
2
3
Insulators
4
name,label,phase,row.xc,row.vbm_g0w0,row.cbm_g0w0,
row.ind_gap_g0w0,
row.vbm,row.cbm,row.ind_gap,
row.emass1_g0w0,
row.emass2_g0w0,
row.hmass1_g0w0,
row.hmass2_g0w0,
row.q2d_macro_df_slope
5
CrO22H-CrO$_2$HLDA-7.373666172-6.4390076910.9346584813-7.644150625-7.2115519080.43259871621.1049421891.1049421891.276315611.2763156145.03872945
6
HfO22H-HfO$_2$HLDA-9.880640685-5.4104369764.470203709-8.506266704-6.7032304971.8030362071.6852512622.4964497094.459191894.661483089.846996909
7
ZrTe22H-ZrTe$_2$HLDA-6.061797064-5.1381453650.9236516985-5.639292231-5.63929223100.52693725472.1302618741.7954608012.00595097874.85560707
8
SnO22H-SnO$_2$HLDA-10.03177536-7.4186855682.613089792-8.776170485-8.2140459470.56212453770.3091140640.3091140646.30340305910.9975102811.96979106
9
WS22H-WS$_2$HLDA-6.274327425-3.8415863482.432741077-5.752470631-4.2395042251.5129664060.46247069160.46247069160.41917326620.419173266239.8706741
10
SnS21T-SnS$_2$TLDA-7.972770135-4.9087179933.064052142-6.982958682-5.5786410631.4043176190.27848828630.74264013090.32352783352.76368147921.60249896
11
PtTe21T-PtTe$_2$TLDA-4.930196019-3.7272300971.202965922-4.732750408-4.73275040800.23013958380.38269366121.5730648671.57306486775.30027563
12
TiO21T-TiO$_2$TLDA-9.8093675-3.9218800445.887487457-8.665213082-6.0178383042.6473747784.6240429298.1728996571.1462097534.79406759114.48638773
13
MoO22H-MoO$_2$HLDA-7.301282737-5.1249926242.176290114-6.994703064-6.0859982570.90870480730.50526577290.50526577290.79945905910.799459059131.38500236
14
NiO21T-NiO$_2$TLDA-8.383447666-6.1644389292.219008737-8.383482708-7.216502361.1669803481.06058432.0769019674.18621412533.0966768335.83074002
15
PtSe21T-PtSe$_2$TLDA-6.277354457-4.0017593342.275595123-5.690978097-4.6169572941.0740208030.26356841070.56020065640.5996571741.07378921550.16474568
16
PbO21T-PbO$_2$TLDA-9.471201543-6.4497087223.021492821-8.47274939-7.1547530791.3179963110.39132928560.39132928565.00906919153.4511420112.81884315
17
GeS21T-GeS$_2$TLDA-7.564198387-5.379823182.184375207-6.633216036-6.0678343490.56538168730.22090758710.63508802280.252746361.46246878227.61292486
18
PdS21T-PdS$_2$TLDA-7.13114791-4.656724522.47442339-6.483687044-5.3729062791.1107807650.34602853950.76993916820.74391493831.27911657354.42069064
19
HfO21T-HfO$_2$TLDA-9.772389714-1.8905879027.881801812-8.23744369-3.6109308344.6265128560.78616287393.2751951791.1004774543.0681344958.819869071
20
PtS21T-PtS$_2$TLDA-7.047661791-4.1679235682.879738223-6.441361199-4.8363121961.6050490030.31720650350.79847450450.47975617012.1325541238.72960942
21
CrS22H-CrS$_2$HLDA-5.564445757-3.5833486231.981097134-6.080048445-5.1839114530.89613699241.0968321381.0968321380.88375060380.883750603861.49887734
22
ZrO22H-ZrO$_2$HLDA-9.684838701-5.6204824784.064356223-8.44356058-6.8511213311.5924392491.1018367812.7170565334.0639404444.15658089911.04024872
23
CrTe22H-CrTe$_2$HLDA-4.574498529-3.4059359811.168562548-5.047562933-4.5948407290.45272220390.9916121250.9916121250.88867298160.888672981695.44174634
24
HfSe21T-HfSe$_2$TLDA-6.322413761-4.5825610161.739852745-5.566898548-5.2623531690.30454537890.23203320251.7892288130.51318151510.513181515141.62995075
25
ZrSe21T-ZrSe$_2$TLDA-6.353515033-4.6746606161.678854417-5.661041047-5.4103952010.25064584680.27731548051.8855823490.58710770380.587107703848.00736177
26
SnS22H-SnS$_2$HLDA-7.500320563-5.6075614451.892759117-6.544763466-5.952506790.59225667580.33733214590.68686943522.2626835482.26268354824.20424217
27
SnO21T-SnO$_2$TLDA-10.24125251-4.8730865945.368165919-8.638745945-6.0992682632.5394776820.33204231050.33204231052.9818741374.4827354818.114515227
28
PdSe21T-PdSe$_2$TLDA-6.060579665-4.4440966571.616483009-5.559268917-5.0799864530.47928246390.28209523270.52438370926.549748717.05968671376.06000524
29
CrSe22H-CrSe$_2$HLDA-5.094588133-3.8192324621.275355671-5.497007208-4.8014692290.69553797971.1064584851.1064584850.96694022530.966940225373.6206279
30
PtO21T-PtO$_2$TLDA-7.883563247-4.3611378983.522425349-7.21285751-5.6108477711.6020097391.1238443072.2321091961.5619376515.6147657521.15481003
31
ZrO21T-ZrO$_2$TLDA-9.711699143-1.961922997.749776153-8.197043521-3.8238891544.3731543671.4039295653.5768974261.1299630773.7232458799.626494953
32
MoSe22H-MoSe$_2$HLDA-5.637472085-3.4675088812.169963205-5.503275315-4.1799809261.3232943890.49133445780.49133445780.60615478630.606154786351.19045672
33
TiTe22H-TiTe$_2$HLDA-5.417390245-5.0569663530.3604238914-5.50022961-5.5002296100.39625135153.3536694320.68986109251.062521195128.6916039
34
WSe22H-WSe$_2$HLDA-5.607955592-3.5308578982.077097694-5.130288992-3.908403611.2218853820.48454518950.48454518950.44105070140.441050701446.24636492
35
PdO21T-PdO$_2$TLDA-8.173098497-5.3372760682.835822429-7.824547684-6.5219171131.302630571.3030134462.6055340366.799220697105.83215428.14761977
36
NiSe21T-NiSe$_2$TLDA-5.516304511-3.8421778511.674126661-5.198516999-5.19851699900.28705072880.5153312374-58.302954352.941288727120.9508304
37
HfS22H-HfS$_2$HLDA-8.130449994-5.5146359092.615814085-7.051332281-6.122118010.9292142713-21.310071311.1786183980.95274783432.96399362423.46115769
38
GeO22H-GeO$_2$HLDA-10.49159501-6.2869983294.20459668-8.991613519-7.6176186191.37399490.3231321350.3231321354.9783971738.55842280910.22876622
39
PdTe21T-PdTe$_2$TLDA-4.783101751-4.1884674660.5946342846-4.764024219-4.76402421900.23106122520.31429148620.98518732690.9851873269134.0009608
40
HfTe22H-HfTe$_2$HLDA-5.960267046-5.1071692840.8530977617-5.576560305-5.5765603050-48.371454630.46296152780.93262293181.35330783566.72701625
41
PbS21T-PbS$_2$TLDA-7.6675977-5.9519611331.715636567-6.927991218-6.2936289660.63436225230.33305054390.82902290510.644416682210.1726955132.0456151
42
ZrS22H-ZrS$_2$HLDA-8.02093049-5.5616577142.459272777-7.022790045-6.1766358550.84615418951.4091460223.0659779590.94695082622.56666854624.85480636
43
MoTe22H-MoTe$_2$HLDA-5.098387643-3.3857415241.712646119-5.036580927-4.1092197890.92736113770.6530658931.1086324070.63808534660.638085346665.41893589
44
SnSe21T-SnSe$_2$TLDA-6.878364921-5.0485784621.829786459-6.190304279-5.575105870.61519840980.23843088280.67124673710.26479930932.2033780431.84432489
45
ZrS21T-ZrS$_2$TLDA-7.542324757-4.7056446462.836680111-6.577937198-5.546196521.0317406790.33801413152.0493051110.71404618380.714046183830.59858636
46
ZrSe22H-ZrSe$_2$HLDA-7.279024854-5.3307057371.948319118-6.467662397-5.8240370570.643625341.2835315681.3854277720.58697448652.18727285934.12520841
47
NiS21T-NiS$_2$TLDA-6.609811886-4.9343081881.675503698-5.97498464-5.4624081040.51257653640.38674543660.78739971251.349981891.41917392179.27226841
48
WO22H-WO$_2$HLDA-7.338197208-4.7796149632.558582245-6.725966419-5.4060398541.3199265650.45374915210.45374915210.76257417370.762574173726.66523573
49
TiSe22H-TiSe$_2$HLDA-6.59144765-5.1336942651.457753385-6.312150868-5.891987420.42016344860.52392693128.0515110970.63183363050.631833630555.56609813
50
MoS22H-MoS$_2$HLDA-6.3230055-3.8440909372.478914563-6.129327745-4.546609641.5827181050.54755995740.54755995740.56103716350.561037163544.27143938
51
GeO21T-GeO$_2$TLDA-11.02451403-3.9679120547.056601974-9.202093647-5.6480464083.5540472390.34407818850.34407818852.6184314724.0650069337.391657799
52
HfSe22H-HfSe$_2$HLDA-7.298020356-5.2862757662.011744591-6.469794073-5.7665990170.7031950561-38.303193450.75441580510.51253535552.87944272432.55132599
53
TiS22H-TiS$_2$HLDA-7.549745928-5.5907161861.959029741-6.946758091-6.3298470770.6169110133-28.549781820.77837012391.0424527161.04245271638.1467451
54
TiO22H-TiO$_2$HLDA-9.95242238-6.3165105373.635911843-8.88361407-7.7815249531.1020891161.410211612.2066369713.6039803984.99456805114.18550262
55
HfS21T-HfS$_2$TLDA-7.518714022-4.6340932552.884620766-6.483268585-5.4242517781.0590168070.29202138251.4406401170.63194063420.631940634227.73901393
56
57
Metals
58
name,label,phase,row.xc,row.vbm,row.cbm,row.ind_gap
59
VSe21T-VSe$_2$TLDA-5.303233418-5.3032334180
60
ReTe22H-ReTe$_2$HLDA-4.112031694-4.1120316940
61
MnSe21T-MnSe$_2$TLDA-5.440508738-5.4405087380
62
ZrTe22H-ZrTe$_2$HLDA-5.639292231-5.6392922310
63
HgO21T-HgO$_2$TLDA-7.544367292-7.5443672920
64
FeO21T-FeO$_2$TLDA-7.760137962-7.7601379620
65
PbTe21T-PbTe$_2$TLDA-5.542596701-5.5425967010
66
IrTe21T-IrTe$_2$TLDA-5.154863799-5.1548637990
67
GeTe22H-GeTe$_2$HLDA-5.124924179-5.1249241790
68
RhS21T-RhS$_2$TLDA-6.212950658-6.2129506580
69
MnS22H-MnS$_2$HLDA-5.404281253-5.4042812530
70
RhSe22H-RhSe$_2$HLDA-4.925120601-4.9251206010
71
CrTe21T-CrTe$_2$TLDA-5.311961219-5.3119612190
72
MnO21T-MnO$_2$TLDA-7.443399017-7.4433990170
73
AuS22H-AuS$_2$HLDA-5.904765072-5.9047650720
74
CoSe22H-CoSe$_2$HLDA-4.919157251-4.9191572510
75
FeSe22H-FeSe$_2$HLDA-5.059180191-5.0591801910
76
CuS21T-CuS$_2$TLDA-6.087075505-6.0870755050
77
VSe22H-VSe$_2$HLDA-5.751560916-5.7515609160
78
CuSe21T-CuSe$_2$TLDA-5.677612165-5.6776121650
79
RuS21T-RuS$_2$TLDA-5.989783383-5.9897833830
80
GeS22H-GeS$_2$HLDA-6.231574636-6.2315746360
81
TaTe21T-TaTe$_2$TLDA-4.693874268-4.6938742680
82
RhS22H-RhS$_2$HLDA-5.321534741-5.3215347410
83
TaSe21T-TaSe$_2$TLDA-4.953501616-4.9535016160
84
ReTe21T-ReTe$_2$TLDA-4.32478354-4.324783540
85
OsTe22H-OsTe$_2$HLDA-4.196173604-4.1961736040
86
AuSe21T-AuSe$_2$TLDA-5.364368013-5.3643680130
87
MoTe21T-MoTe$_2$TLDA-4.471594843-4.4715948430
88
TiTe21T-TiTe$_2$TLDA-5.12082381-5.120823810
89
ReO21T-ReO$_2$TLDA-7.279687485-7.2796874850
90
NbO21T-NbO$_2$TLDA-5.47357395-5.473573950
91
ScO21T-ScO$_2$TLDA-8.051547227-8.0515472270
92
MnSe22H-MnSe$_2$HLDA-5.221038719-5.2210387190
93
PdS22H-PdS$_2$HLDA-4.383073102-4.3830731020
94
PtTe21T-PtTe$_2$TLDA-4.732750408-4.7327504080
95
PtSe22H-PtSe$_2$HLDA-5.027962769-5.0279627690
96
SnSe22H-SnSe$_2$HLDA-5.912174259-5.9121742590
97
CuO21T-CuO$_2$TLDA-8.077559928-8.0775599280
98
GeTe21T-GeTe$_2$TLDA-5.235283096-5.2352830960
99
FeS22H-FeS$_2$HLDA-5.367130876-5.3671308760
100
RuTe21T-RuTe$_2$TLDA-4.924136158-4.9241361580
Loading...
 
 
 
AES data
Sheet2
AES data2
 
 
Main menu