colabfit/CoNbV_CMS2019 · Datasets at Hugging Face

PO_1000311600550790785142818

1000311600550790785142818762402722657405298424972666328721008433165053477758016514084192984548001310236627512583022032897914750096377652063114490812280217

2025-04-16T21:38:17

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.632961

[ [ -0.327788, -0.36459, -0.000054 ], [ 0.247258, -0.15972, 0.000031 ], [ 0.02792, 0.028716, 0.000028 ], [ -0.258908, -0.038873, 0.000042 ], [ 0.355137, -0.113558, -0.000045 ], [ 0.450056, 0.261903, -0.000031 ], [ -0.478496, 0.207374, -0.00003 ], [ -0.015179, 0.178749, 0.00006 ] ]

[ [ 0.003861122375453901, 0.0056336485521134875, -6.241509125883259e-8 ], [ 0.0056336485521134875, 0.00002446671577346237, 0 ], [ -6.241509125883259e-8, 0, -0.009306901502878303 ] ]

true

null

0.5215

0.335119

null

CO_8738130957793355969210056

8738130957793355969210056023132203986081359050179788176973700416936071492002565125682507782397038082915075658428580201639904619397983875266655288146588316

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[ [ 0, 0, 3.91569 ], [ 4.77633, 2.22083, 0 ], [ -2.84975, 4.2502, 0 ] ]

[ [ 1.96911, 2.16157, 0 ], [ -1.08902, 4.63178, 1.95784 ], [ 0.16739, 2.3271, 1.95784 ], [ 1.73744, 5.21628, 1.95784 ], [ 0.00843, 0.50734, 0 ], [ 0.51644, 4.1996, 0 ], [ -1.51317, 2.53577, 0 ], [ 2.72545, 2.82415, 1.95784 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_113" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1002867731686836443316799

1002867731686836443316799175405701847422086272035476607155002901140384029226586658997232574936546477365816125560463968808123255191098650358731292331367738

2025-04-16T18:22:48

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.941488

[ [ -0.001255, 0.400779, 0.112305 ], [ -0.010598, 0.124291, -0.977213 ], [ 0.010503, -0.124236, 0.97736 ], [ 0.001163, -0.400392, -0.11242 ], [ -0.014024, 0.313022, 1.068951 ], [ 0.013945, -0.312627, -1.069229 ], [ -0.019062, -0.745877, -0.622181 ], [ 0.019328, 0.74504, 0.622427 ] ]

[ [ -0.006041343928216181, -0.0006224657051243373, -0.00006335131762771506 ], [ -0.0006224657051243373, 0.012343520522803025, -0.012550301720143537 ], [ -0.00006335131762771506, -0.012550301720143537, 0.00810572307160207 ] ]

true

null

1.114083

0.87163

null

CO_6872392233104363761657096

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6149497241878749392655757777313053962004426107428510869190584460690798924267724491421080309549613709359208815028130278177702029588736507392879519346984190

[ [ 2.65738, -0.016829, -0.001501 ], [ -1.31988, 2.28283, 4.3171 ], [ 1.32132, -6.86757, 4.3183 ] ]

[ [ 1.32909, -2.29028, 4.30279 ], [ 2.65317, -4.55531, 4.26692 ], [ 1.33331, 0.71095, 2.2075 ], [ 2.65739, -1.55408, 2.17163 ], [ -0.00026, 0.05084, 0.13877 ], [ 1.32936, -3.87837, 6.33715 ], [ 0.00419, -0.10247, 4.27205 ], [ 0.00503, -1.44223, 6.52097 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_244" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1002894086865434620902582

10028940868654346209025823182840164261480631920252274533660811726397403367951817455933364069156904679471959973348410736871394849336078302710408638344484123

2025-04-16T16:33:13

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.830924

[ [ -0.000019, 0.883784, -0.00001 ], [ -0.000024, -0.201475, 0.306491 ], [ 0.000022, -0.087517, 0.000032 ], [ -0.000044, -0.494569, 0.000044 ], [ -0.000024, -0.201482, -0.306502 ], [ 0.000035, 0.017156, 0.252155 ], [ 0.000035, 0.017152, -0.252208 ], [ 0.000018, 0.066952, -0.000002 ] ]

[ [ -0.011934514429783896, -6.241509125883259e-8, 0 ], [ -6.241509125883259e-8, -0.0160412401893413, 2.4966036503533035e-7 ], [ 0, 2.4966036503533035e-7, -0.0020308622393798944 ] ]

true

null

0.883784

0.346491

null

CO_8194874854952709435337186

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[ [ 3.21323, 0, 0 ], [ 0, 3.95042, 0.000001 ], [ 0, 0, 7.91865 ] ]

[ [ 1.60662, 2.39774, 7.91865 ], [ 1.60662, 0.59195, 1.81585 ], [ 0, 0.90912, 3.95932 ], [ 1.60662, 3.08568, 3.95932 ], [ 1.60662, 0.59195, 6.1028 ], [ 0, 2.54363, 2.12957 ], [ 0, 2.54363, 5.78908 ], [ 0, 0.50435, 7.91865 ] ]

[ true, true, true ]

Co5Nb2V

A5B2C

[ "Co", "Nb", "V" ]

[ 0.625, 0.25, 0.125 ]

[ 27, 27, 27, 27, 27, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_122" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1006420784139160812750599

10064207841391608127505994197206889773229736425252694806733589129726778911162148865649464706822787860772839937119105147545300862175190229619127193308927247

2025-04-16T20:51:24

DS_sn623uhg2d1b_0

1

VASP

DFT

-34.315848

[ [ 0.000914, 0, 0.000914 ], [ -0.000913, 0, -0.000913 ], [ 0.002849, 0, 0.002849 ], [ -0.002849, 0, -0.002849 ] ]

[ [ 0.014086524361297183, -0.0000054301129395184345, 0.000036637658568934726 ], [ -0.0000054301129395184345, -0.0051606045754627955, 0.0000054301129395184345 ], [ 0.000036637658568934726, 0.0000054301129395184345, 0.014086524361297183 ] ]

true

null

0.004029

0.00266

null

CO_6973525155261907042071645

6973525155261907042071645412972951299240642671904820786946783419761755482556212765038260791660687096841899038129346740279448653563405328703951932870465047

3451095860505472918600055681545860888640438874136493789637717478333499688466790795442860831565762408077099003700365885901262624169445413613190885844297302

[ [ 0, 0, 3.853 ], [ -1.9265, 3.853, 1.9265 ], [ -3.853, 0, 0 ] ]

[ [ 0, 0, 0 ], [ -3.853, 1.9265, 1.9265 ], [ -1.9265, 0, 1.9265 ], [ -1.9265, 1.9265, 3.853 ] ]

[ true, true, true ]

Co2Nb2

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 41, 41 ]

4

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_274" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4984380517640739706846927

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2025-04-16T15:45:48

DS_sn623uhg2d1b_0

1

VASP

DFT

-68.450573

[ [ 0.144897, -0.462631, 0.561009 ], [ -0.368423, 0.109418, -0.392966 ], [ 0.368397, -0.109451, 0.392958 ], [ -0.144902, 0.462661, -0.561012 ], [ 0.011474, -0.139024, 0.261525 ], [ 0.128393, 0.082653, -0.036177 ], [ -0.128382, -0.082676, 0.036215 ], [ -0.011454, 0.139049, -0.26155 ] ]

[ [ 0.00807738662017056, -0.006872276038145019, -0.002729474355840007 ], [ -0.006872276038145019, 0.0022329623048759945, -0.0013934793274446961 ], [ -0.002729474355840007, -0.0013934793274446961, 0.008057913111697804 ] ]

true

null

0.741476

0.436117

null

CO_4614932456452383077151900

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2835947081218980208701947045490902533135945797861756881947358661007342565287808123662544162415143705265082897846211790749931274636896399791685130841739862

[ [ 3.36496, -0.405545, -0.031744 ], [ -1.2857, 2.24606, 4.43919 ], [ 1.12026, -6.09358, 3.86835 ] ]

[ [ 1.12901, -5.74041, 3.95292 ], [ 0.32028, 0.58454, 4.61711 ], [ 1.67766, -0.03649, 1.84476 ], [ 3.27489, -2.05119, 1.93811 ], [ 1.72235, -1.41928, 3.93138 ], [ 3.06598, -4.02344, 4.03366 ], [ 0.05221, -1.5221, 6.29655 ], [ 1.39584, -4.12626, 6.39884 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_28" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1007349621374264970960265

10073496213742649709602652561369906757331726016876809073424883406443757272902922680116121005903664318959779132259938311481998953632695982649420344678372629

2025-04-16T21:12:08

DS_sn623uhg2d1b_0

1

VASP

DFT

-59.357305

[ [ 0, 0, 0.791973 ], [ 0, 0, -0.162099 ], [ 0, 0, 0.098175 ], [ 0, 0, -0.087281 ], [ 0, 0, 0.126949 ], [ 0, 0, -2.793599 ], [ 0, 0, -2.386083 ], [ 0, 0, 4.411966 ] ]

[ [ -0.036276150360363565, 0, 0 ], [ 0, -0.036276150360363565, 0 ], [ 0, 0, -0.03821176717048248 ] ]

true

null

4.411966

1.357266

null

CO_3909320869320718899673251

3909320869320718899673251311847257236471263608429932515210876402242974697478242381646508494180696869547610426334305295570977965545510485116024576044297337

12253750826321512178514631694813223652180342994291759680385226948729477759086439778991688849357708457231294907070290490849657307959552625730321140775034151

[ [ 1.80761, 1.80761, 0 ], [ -1.80761, 1.80761, 0 ], [ 0, 0, 14.4609 ] ]

[ [ 0, 0, 3.61521 ], [ 0, 1.80761, 5.42282 ], [ 0, 0, 7.23043 ], [ 0, 1.80761, 9.03803 ], [ 0, 0, 10.8456 ], [ 0, 1.80761, 12.6532 ], [ 0, 0, 0 ], [ 0, 1.80761, 1.80761 ] ]

[ true, true, true ]

Co6NbV

A6BC

[ "Co", "Nb", "V" ]

[ 0.75, 0.125, 0.125 ]

[ 27, 27, 27, 27, 27, 27, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_264" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1007575980931567184083353

10075759809315671840833533398815010188486163069550492141462071391593762402190955882459731458939117585750383183157112482308311816963202248947148538438628810

2025-04-16T17:55:33

DS_sn623uhg2d1b_0

1

VASP

DFT

-48.628218

[ [ 0, 0, 0.705998 ], [ 0, 0, -0.000039 ], [ 0, 0, -0.705993 ], [ 0, 0, 0.000168 ], [ 0, 0, 0.866286 ], [ 0, 0, -0.86642 ] ]

[ [ -0.005782883035313356, 0, 0 ], [ 0, -0.005782883035313356, 0 ], [ 0, 0, -0.01031914945291405 ] ]

true

null

0.86642

0.524151

null

CO_1137693988427495798667150

11376939884274957986671507778597529089637735079532730680202297554293046406028630014776824518631545064335992485375694297485643190932265061971160505621162284

1336409140962134903564150957667737957914391979100175900746567541830141603659678878548007083045026799957007592820443098963422722689360455604529673933641808

[ [ 1.84906, 1.84906, 0 ], [ -1.84906, 1.84906, 0 ], [ 0, 0, 11.2012 ] ]

[ [ 0, 0, 3.85071 ], [ 0, 1.84906, 5.60062 ], [ 0, 0, 7.35052 ], [ 0, 0, 0 ], [ 0, 1.84906, 2.17037 ], [ 0, 1.84906, 9.03086 ] ]

[ true, true, true ]

Co3NbV2

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ 27, 27, 27, 41, 23, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_129" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1011696152211979274130593

10116961522119792741305932326754163538353061383380290277123932809042938110654518581070624079733254162099602927024640987675754192966204728751177161417382679

2025-04-16T21:12:08

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.713793

[ [ -0.300717, 0.304392, -0.000033 ], [ -0.075932, -0.075291, 0.000027 ], [ 0.075961, 0.075276, 0.000027 ], [ 0.300708, -0.304343, -0.000033 ], [ -0.000028, -0.000003, -0.000033 ], [ 0.000005, -0.000014, -0.000033 ], [ -0.374403, -0.374127, 0.000038 ], [ 0.374407, 0.374111, 0.000038 ] ]

[ [ -0.007900377421360509, -0.010446226578717032, 0 ], [ -0.010446226578717032, -0.007932708438632585, 0 ], [ 0, 0, 0.0022294670597655 ] ]

true

null

0.529291

0.266032

null

CO_1221804471953361258222932

12218044719533612582229324301441764225096576444842821854628612688989599918747206439806768642930250415602688294350382181397610575594743988610898583403695464

6975327987060445519070333126471550268546813214082566596450772758587616877942935495046645666805047510394033440425922118575372968162021882614975924255336708

[ [ 0, 0, 3.57473 ], [ 1.90947, 5.72671, 0 ], [ -3.81156, 3.80254, 0 ] ]

[ [ -0.04837, 3.86342, 0 ], [ -0.11006, 5.60762, 1.78736 ], [ -1.79204, 3.92163, 1.78736 ], [ -1.85372, 5.66582, 0 ], [ 0, 0, 0 ], [ 0.00369, 7.62798, 0 ], [ 0.15999, 2.06616, 1.78736 ], [ -2.06209, 7.46309, 1.78736 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_345" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4473667429700748821848880

4473667429700748821848880772895646717970951392859694560867406273525220274748317806484112790438669703377887638776636465180177519921705012243797390997820971

2025-04-16T21:56:50

DS_sn623uhg2d1b_0

1

VASP

DFT

-63.783761

[ [ 0.750963, -0.433592, 0 ], [ -0.000009, 0.867128, 0 ], [ -0.750966, -0.433506, 0 ], [ 0.75097, 0.433556, 0 ], [ -0.000003, -0.867173, 0 ], [ -0.750968, 0.433546, 0 ], [ 0.000019, -0.000004, 0 ], [ -0.000006, 0.000045, 0 ] ]

[ [ 0.01689070958137401, 6.241509125883259e-8, 0 ], [ 6.241509125883259e-8, 0.016889586109731354, 0 ], [ 0, 0, 0.027524680754597613 ] ]

true

null

0.867173

0.650361

null

CO_4077719137094920193179202

4077719137094920193179202564660344350270189736090744307375543666812393745977795864387777013397872581837633676220225325271819451369969453255433156639500755

1206619700721741419269506111167769031394903835495191602738266442367600216760476556237666002468394116089206803770851572729951226114760521607372527625799223

[ [ 0, 0, 4.24258 ], [ 2.59804, -4.49993, 0 ], [ 2.59804, 4.49993, 0 ] ]

[ [ 3.89706, -2.24996, 0 ], [ 2.59804, 0, 0 ], [ 3.89706, 2.24996, 0 ], [ 1.29902, 0.74999, 2.12129 ], [ 2.59804, 2.99996, 2.12129 ], [ 3.89706, 0.74999, 2.12129 ], [ 0, 0, 0 ], [ 2.59804, -1.49998, 2.12129 ] ]

[ true, true, true ]

Co6Nb2

Co3Nb

A3B

[ "Co", "Nb" ]

[ 0.75, 0.25 ]

[ 27, 27, 27, 27, 27, 27, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_69" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4525490431986788809318960

4525490431986788809318960623186647457011062121240487876209392603919976744622077499975882033789182769475096471929206773264943177190998255504434852524029205

2025-04-16T17:18:55

DS_sn623uhg2d1b_0

1

VASP

DFT

-49.481119

[ [ 0.000174, 1.595325, 0 ], [ -0.001759, -2.104585, 0 ], [ 0.000389, 1.61112, 0 ], [ -0.001179, 1.224062, 0 ], [ -0.000583, 1.337475, 0 ], [ 0.002958, -3.663398, 0 ] ]

[ [ -0.01205722249919876, 0.0000519293559273487, 0 ], [ 0.0000519293559273487, -0.0073438220526055, 0 ], [ 0, 0, -0.00884939888395106 ] ]

true

null

3.663399

1.922661

null

CO_3723864142381413200688115

3723864142381413200688115809586995951482267515884885224507686096573972494734113622299351821539337471211386547745121456653025906985703544357004399244213447

12951329776106678135712042412428566340248636758772395879769574085979296091468433408357819830434329182289960176570656505520850325170698041209411056584203415

[ [ 0, 0, 3.78132 ], [ -1.89066, 5.67198, 0 ], [ -3.78132, 0, 0 ] ]

[ [ -3.78132, 3.78132, 0 ], [ -1.89066, 0, 1.89066 ], [ -1.89066, 3.78132, 1.89066 ], [ -3.78132, 1.89066, 1.89066 ], [ -1.89066, 1.89066, 0 ], [ 0, 0, 0 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_171" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4547868265710010262737723

4547868265710010262737723541543149652165427959588783165871435211929715692962903939057225261476767451094038415072202738370671292595402132515539292933381611

2025-04-16T18:28:43

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.054685

[ [ 0.000005, 0.18147, 0.000006 ], [ 0.440272, -0.343418, -0.000002 ], [ -0.440276, -0.343418, -0.000003 ], [ -0.000001, 0.244059, -0.000002 ], [ -0.000004, 0.244059, -0.000001 ], [ 0.000001, -0.24676, 0.009449 ], [ 0.000002, -0.246763, -0.009442 ], [ 0.000002, 0.510773, -0.000005 ] ]

[ [ -0.004449322195477139, 0, 0 ], [ 0, -0.005110048351543141, 0 ], [ 0, 0, -0.012344893654810719 ] ]

true

null

0.558372

0.348873

null

CO_9850509526811065425622361

9850509526811065425622361285186346926660832642536866055628578985271254222334704350867825029866863572121054685777631457226109604733544867824515330439442792

3364585613737305888441144836257249682311844408584805980674750368628887327583355977897695079487209282874417070894688066791358339444517120661690433840997125

[ [ 0, 4.34456, 0 ], [ -2.8713, 0, 4.02392 ], [ 2.8713, 0, 4.02392 ] ]

[ [ 0, 0.40522, 4.02392 ], [ -1.73139, 2.16031, 4.02392 ], [ 1.73139, 2.16031, 4.02392 ], [ 1.43565, 0.60248, 2.01196 ], [ -1.43565, 0.60248, 2.01196 ], [ 0, 2.80788, 5.62073 ], [ 0, 2.80788, 2.42711 ], [ 0, 0.03893, 0 ] ]

[ true, true, true ]

Co5Nb2V

A5B2C

[ "Co", "Nb", "V" ]

[ 0.625, 0.25, 0.125 ]

[ 27, 27, 27, 27, 27, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_312" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4540663755020621915688862

4540663755020621915688862522723306008151024064214635145412887762461862521908923796869360884677639489407770949327708324159913181444667283578626340671528926

2025-04-16T18:02:06

DS_sn623uhg2d1b_0

1

VASP

DFT

-68.184797

[ [ 0.138404, -0.141329, 0.105227 ], [ 0.363862, 0.046141, -0.285538 ], [ -0.364522, -0.045899, 0.285527 ], [ -0.138729, 0.141658, -0.104921 ], [ -0.001893, 0.001657, -0.002205 ], [ 0.168833, 0.575852, 0.949586 ], [ 0.002013, -0.001576, 0.002475 ], [ -0.167967, -0.576504, -0.95015 ] ]

[ [ -0.00666699280299472, -0.006442298474462923, 0.006399232061494327 ], [ -0.006442298474462923, 0.007071505009443214, -0.01326077270394283 ], [ 0.006399232061494327, -0.01326077270394283, 0.020039675765564636 ] ]

true

null

1.123991

0.454089

null

CO_1001586694836706359543559

10015866948367063595435594071848544031981770670340771966884401361138894730366850630032171232532866950359011370623130464780149492883738305663553700903810380

4097357176567290407738430657215503567710247190001513270484269133172595975071495942968196124132883011898042921585781610136310464064704767476560426962152710

[ [ 1.99573, 2.31584, 0.043534 ], [ -2.20472, 2.42915, -3.1946 ], [ -3.75286, 5.58366, 5.44859 ] ]

[ [ -0.23886, 4.66795, -2.87093 ], [ -2.09043, 4.20648, -1.20778 ], [ -3.97163, 6.1788, 1.88622 ], [ -3.82746, 8.03317, 3.5929 ], [ -2.0331, 6.35048, 0.3611 ], [ 0.23792, 4.03482, -0.04837 ], [ -1.92875, 3.97815, 1.93641 ], [ -2.09961, 6.23722, 3.96498 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_275" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4555712808668331840234194

4555712808668331840234194868496717012544078396928274359383513720561303726415459608019192009353955257735871423792701703252583492666511028781731839193115256

2025-04-16T21:37:17

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.445833

[ [ -0.000009, 0.208339, 0.000003 ], [ -0.419772, -0.214262, -0.028243 ], [ 0.419763, -0.214254, 0.028215 ], [ -0.000008, 0.393224, 0.000056 ], [ 0.000034, -0.651491, -0.00004 ], [ -0.435262, 0.007448, -0.274552 ], [ 0.435249, 0.00745, 0.274561 ], [ 0.000005, 0.463547, -0.000001 ] ]

[ [ 0.019050084493655847, 0, -0.012254391772485412 ], [ 0, 0.0008920988993624941, 3.120754562941629e-7 ], [ -0.012254391772485412, 3.120754562941629e-7, 0.007380896616813247 ] ]

true

null

0.651491

0.461275

null

CO_3409605118405612553424242

3409605118405612553424242207199573038388018379373855316534229063559606663861053643616061141424484027800193979928231976192126526078736466724075847289904473

10705265974109347687067886174545456273874720821140025682517739240864118630051527172573372343419518342890654864223306202391279869265712116759192446956147072

[ [ 0, 4.68886, 0 ], [ -2.92906, 0, 4.46243 ], [ 2.77005, 0, 3.90797 ] ]

[ [ -0.07951, 0.57958, 4.1852 ], [ -1.85867, 2.11352, 4.07484 ], [ 1.69966, 2.11352, 4.29556 ], [ 1.30552, 0.6767, 6.13918 ], [ 1.38502, 0.97462, 1.95399 ], [ -0.09086, 3.25156, 5.69986 ], [ -0.06815, 3.25156, 2.67054 ], [ 0, 4.23144, 0 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_365" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4576027470516274368596456

4576027470516274368596456950849322654076769377811931006428636692864171813166271290222487023632062198577454153292215821023922690215493687121951247122579664

2025-04-16T16:51:12

DS_sn623uhg2d1b_0

1

VASP

DFT

-50.693779

[ [ -0.00102, -0.000587, 2.091108 ], [ 0.000637, 0.000371, 0.154919 ], [ -0.001607, -0.000931, -0.028918 ], [ 0.00161, 0.000931, 0.028919 ], [ -0.000724, -0.000418, -0.155026 ], [ 0.001097, 0.000631, -2.090975 ], [ 0.000007, 0.000003, -0.000027 ] ]

[ [ -0.029657966158733253, 0.00005692256322805531, -0.00003813562075914671 ], [ 0.00005692256322805531, -0.02972425098565013, -0.0000220325272143679 ], [ -0.00003813562075914671, -0.0000220325272143679, -0.014274206540712491 ] ]

true

null

2.091108

0.650002

null

CO_8875640810927356723944245

8875640810927356723944245737535283867846513316813944714749451014356518409539505430655452439004355838517709407611992532031466612873707048271671833982123023

827570610260356540283182567302442998392804481816891205063400978091357909075659438774084601110826535124058826002324832465381859227316205111600255984363913

[ [ 2.53988, 0, 0 ], [ -1.26994, 2.1996, 0 ], [ 1.26994, 0.733199, 14.5166 ] ]

[ [ 0, 0, 0 ], [ 1.26994, 0.7332, 2.0738 ], [ 0, 1.4664, 4.1476 ], [ 1.26994, 0.7332, 6.2214 ], [ 2.53988, 1.4664, 8.2952 ], [ 1.26994, 2.1996, 10.369 ], [ 2.53988, 1.4664, 12.4428 ] ]

[ true, true, true ]

Co6Nb

A6B

[ "Co", "Nb" ]

[ 0.8571428571428571, 0.14285714285714285 ]

[ 27, 27, 27, 27, 27, 27, 41 ]

7

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_288" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1053961190586832080727958

10539611905868320807279581057399841158596327589204395944900697274612944940591382578396207623441111147635299911137054565795261299759094719565047926342573168

2025-04-16T20:35:09

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.395772

[ [ 0.054572, 0.534556, 0.04934 ], [ -0.374428, 0.089111, 0.042922 ], [ -0.101141, -0.08883, -0.046239 ], [ 0.215003, -0.019838, 0.015355 ], [ 0.007451, 0.119299, 0.081541 ], [ 0.086028, -0.112715, 0.000105 ], [ 0.429672, -0.138006, -0.129594 ], [ -0.317157, -0.383578, -0.013429 ] ]

[ [ 0.01325415670426939, 0.001469937814236766, 0.0001569115394247051 ], [ 0.001469937814236766, -0.018616362024498217, -0.004192796170403338 ], [ 0.0001569115394247051, -0.004192796170403338, -0.02160910323526798 ] ]

true

null

0.539595

0.317447

null

CO_4466913386534930308834106

4466913386534930308834106462932252703701839640574699171059471775430565522015097057305375552323245041875623205939468684244131104676651571130920919677221280

11228310544850804253067731813125010477563882538495494561301757383783815087930633622473231746995319814727414678214647459655734215032891498024961829846740863

[ [ 0.193989, 0.002486, 3.44693 ], [ 2.01796, 3.50154, -1.86774 ], [ -5.75289, 3.76132, 1.96534 ] ]

[ [ -1.84231, 1.72301, 3.51963 ], [ -1.79793, 3.64712, 1.77168 ], [ -1.73702, 5.49872, 0.0315 ], [ -3.63797, 5.45049, 1.84065 ], [ -3.68298, 7.18839, 0.09103 ], [ 0.04377, 1.82049, 1.70146 ], [ -0.17447, 3.60181, -0.03233 ], [ -3.29932, 3.76152, 3.57985 ] ]

[ true, true, true ]

Co4NbV3

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.125, 0.375 ]

[ 27, 27, 27, 27, 41, 23, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_223" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1017112871652349993809887

10171128716523499938098874655912767785606015552394548089930611261181483434584556928593612620673292786607689658157929013383964698846366146530958349032088312

2025-04-16T20:58:52

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.547857

[ [ 0.129088, -0.129088, 0.222116 ], [ 0.00127, -0.00127, -0.097937 ], [ -0.22256, 0.22256, 0.077973 ], [ 0.177314, -0.177314, -0.406871 ], [ -0.236397, 0.236397, -0.226306 ], [ -0.077186, 0.077186, -0.080204 ], [ -0.370494, 0.370494, -0.351593 ], [ 0.598965, -0.598965, 0.862822 ] ]

[ [ -0.024571261051320917, -0.007888393723838814, -0.003774802304242936 ], [ -0.007888393723838814, -0.024571261051320917, 0.003774802304242936 ], [ -0.003774802304242936, 0.003774802304242936, -0.0017748355350361632 ] ]

true

null

1.209124

0.445868

null

CO_1188355859090605994400003

11883558590906059944000036568079284414377259736482685887793731363136189696052742620817188418082545558586675034009560616973193286684132914250318389228711132

4297219252734082250447754760590044591677648630156412001460092751712522131495224490404836361422379733637856735295237133514275223820751950899374426442622759

[ [ 1.88577, 1.88577, 0 ], [ -3.93005, 3.93005, 3.5191 ], [ 3.87436, -3.87436, 3.49139 ] ]

[ [ 1.77676, 0.10901, 1.91289 ], [ 0.07629, -0.07629, 3.77422 ], [ 1.96784, -1.96784, 3.2863 ], [ 2.08286, -0.19709, 5.16036 ], [ -0.01008, 0.01008, 6.72136 ], [ -0.03588, 1.92165, 1.91952 ], [ -2.13571, 2.13571, 3.76699 ], [ -0.20115, 2.08692, 5.00555 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_19" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4623113206352077273095751

4623113206352077273095751285445010213504943183376712890647313065404013224605439899985168376927099995547621321796166967725024290650418608958687890259778328

2025-04-16T21:51:00

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.668971

[ [ 0.14605, -0.424145, 0.014871 ], [ 0.44469, -0.056946, -0.177748 ], [ -1.092716, -0.917342, 0.955858 ], [ 0.098895, 1.168195, -0.745103 ], [ 0.149136, 0.180837, 0.716774 ], [ 0.463799, -0.175021, 0.022126 ], [ 0.033984, -0.017095, -0.705256 ], [ -0.243838, 0.241517, -0.081521 ] ]

[ [ 0.008945206049033367, -0.014254420956783443, 0.0031722470132301657 ], [ -0.014254420956783443, -0.0194278206259543, 0.005940481140741909 ], [ 0.0031722470132301657, 0.005940481140741909, 0.012145102947691196 ] ]

true

null

1.717326

0.793365

null

CO_2758620053411307424273920

2758620053411307424273920823498496514797123511511803308127558433545146816536600417070344663438582287552445813900833587723067583852954393318445766700320645

67907577422315044795601177287933107178071670370661373976055542534620837359455413864447706877576822296071562413990152504049304510752493655001804005550575

[ [ -4.24685, 2.45253, 0.256883 ], [ -2.84203, -5.07135, -0.201648 ], [ -1.25038, 2.28252, 4.08654 ] ]

[ [ -5.54862, -2.21178, 1.91617 ], [ -0.97601, 0.91263, 2.12737 ], [ -4.30351, 1.11243, 2.03814 ], [ -3.12905, -1.89723, 2.04615 ], [ -2.75643, -0.07786, 0.4006 ], [ -6.89939, 2.15362, 4.23808 ], [ -5.5095, -0.38506, 3.73548 ], [ -5.47947, 4.68374, 4.33812 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_269" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1058185572078313940546486

10581855720783139405464861984381611690052434939695293185482234702002170942373294420350916975457352598444574071848919785211261101241130588671315965556444486

2025-04-16T18:11:35

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.336821

[ [ -0.101934, -0.146096, 0.096376 ], [ -0.070935, -0.081288, 0.036549 ], [ 0.270908, 0.420268, -0.062088 ], [ 0.006175, 0.466099, 0.304065 ], [ -0.054655, -0.293167, -1.049756 ], [ -0.205439, -0.015039, 0.775105 ], [ -0.065259, -0.074236, 0.810196 ], [ 0.221139, -0.27654, -0.910447 ] ]

[ [ -0.009783877630278302, 0.004323430956408074, -0.006997106220662685 ], [ 0.004323430956408074, 0.002011638391272174, -0.00004219260169097083 ], [ -0.006997106220662685, -0.00004219260169097083, 0.002127543215739826 ] ]

true

null

1.091294

0.632904

null

CO_8965058168670017397267637

8965058168670017397267637690351856354193173435512161188106232793101115359355085300765218965614131554176387456401018104932292985029119765231865801783041220

4926976205702052439997192641245107826777151651316504085237197634556898573881202056378847110749893757587041737100957154822667783679049493634191748597681563

[ [ 4.06268, -0.675644, 0.256881 ], [ -1.60156, 2.38652, -0.439866 ], [ 0.923269, -0.537483, 12.418 ] ]

[ [ 1.13888, 0.35356, 12.0524 ], [ 2.05054, 1.41061, 4.47864 ], [ 1.18609, -0.17631, 9.52763 ], [ 3.19049, -0.31658, 10.8666 ], [ 0.10218, 1.49522, 2.75209 ], [ -0.11928, 1.94156, 5.96772 ], [ 2.20939, 0.80899, 0.9024 ], [ 3.29684, -0.58188, 8.48554 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_5" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4667847582006642137952791

4667847582006642137952791899646394352803306145096965377765299676378590878143544475408453415175731118232003127775635801338762957069138205273710798446932239

2025-04-16T22:04:30

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.433546

[ [ -0.000051, -0.000039, 0.000028 ], [ -0.699962, 0.000001, 0.69994 ], [ 0.699946, 0.000013, -0.699982 ], [ 0.000031, -0.000041, 0.000038 ], [ -1.174751, 0.000031, 1.174747 ], [ 1.174766, 0.000032, -1.174771 ], [ 0.000007, -0.000021, 0.000004 ], [ 0.000014, 0.000024, -0.000005 ] ]

[ [ -0.015350804449836096, 0, 0.0046558537324526165 ], [ 0, -0.007142096477656954, 0 ], [ 0.0046558537324526165, 0, -0.015350804449836096 ] ]

true

null

1.661374

0.662835

null

CO_2328627606439751602130914

2328627606439751602130914140698748425561534867850546711832341039588683302442195285662117012810216194945564712609621674376766584260490668629731837174200772

9819551020275226310131199934000080876436438661271977028699757173114602809510235233495286628010043186441135090643812020473515454402052950191554944575567092

[ [ 1.90908, 3.03759, 1.90908 ], [ -4.5403, 0, 4.5403 ], [ 1.90908, -3.03759, 1.90908 ] ]

[ [ -0.5416, -1.51879, 6.26884 ], [ -2.42656, 0, 6.24472 ], [ -0.56573, 0, 4.38389 ], [ -0.54161, 1.5188, 6.26884 ], [ -4.44119, 0, 4.44119 ], [ -2.36926, 0, 2.36926 ], [ 1.72854, -1.51879, 3.99869 ], [ 1.72854, 1.51879, 3.99869 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_108" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4673189716295110255331331

4673189716295110255331331648379856206576390348726539477168130998359610133869669236174997887326402783695895946394967654277427330310476552999921013380766429

2025-04-16T21:04:14

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.195435

[ [ -0.000022, -0.161585, 0.000005 ], [ 0.000022, -0.119925, 0 ], [ 0.000023, -0.139539, 0 ], [ 0.000016, -0.079033, -0.000002 ], [ 0.000009, -0.100422, 0 ], [ -0.000017, 0.411679, -0.000001 ], [ -0.000011, 0.100568, -0.000001 ], [ -0.000019, 0.088258, -0.000001 ] ]

[ [ 0.00002802437597521583, 0, 0 ], [ 0, -0.01300886539562218, 0 ], [ 0, 0, 0.0024574069730427563 ] ]

true

null

0.411679

0.150126

null

CO_5458679225512095149912980

5458679225512095149912980936058405624185773054054698005983431135381265202476687904161917188029097123106373432869595188646516926979868458512132929159656891

6234126473091965339182124971270909826252281212505694261963311628953425250731750502342200141339929448130437772468015913620236966319714147044302924251742635

[ [ 2.54933, 0, 0 ], [ 0, 8.85625, 0 ], [ 0, 0, 4.15484 ] ]

[ [ 0, 8.82355, 0 ], [ 1.27466, 6.72253, 0 ], [ 1.27466, 0.69745, 2.07742 ], [ 1.27466, 5.20639, 2.07742 ], [ 1.27466, 2.02397, 0 ], [ 0, 4.57206, 0 ], [ 0, 2.98563, 2.07742 ], [ 0, 7.34552, 2.07742 ] ]

[ true, true, true ]

Co4V4

CoV

AB

[ "Co", "V" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 23, 23, 23, 23 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_218" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1062924837756098949674470

10629248377560989496744703143467810159545131432012040926411620913247029351912663284668835527865135246336006180536821268549501043755279913490667438421353940

2025-04-16T18:10:37

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.909155

[ [ -0.02786, 0.39718, 0.174714 ], [ -0.063416, 0.34813, -0.070836 ], [ 0.063428, -0.348097, 0.070981 ], [ 0.027888, -0.397153, -0.174441 ], [ -0.107255, 0.029096, -0.386212 ], [ 0.107207, -0.029129, 0.385904 ], [ 0.017588, 0.25867, 0.892925 ], [ -0.01758, -0.258696, -0.893036 ] ]

[ [ -0.028336389016418734, 0.005026911449986376, -0.011362292873122919 ], [ 0.005026911449986376, 0.008197348425570036, -0.0018813780958149902 ], [ -0.011362292873122919, -0.0018813780958149902, -0.029776617247216294 ] ]

true

null

0.929917

0.531801

null

CO_3564158735877097798596540

3564158735877097798596540920889893097106957017748716268753559095518431557830256025236674185525065620974846061671079636081254664252153301504648271742785364

10709932786432363472981324667838219657865150273639264713623410335527108222818743377857219678582911089038826499424756906913036852155861859668710904232258179

[ [ 2.86019, -0.061624, -0.151253 ], [ -1.272, 2.27047, -0.279421 ], [ 0.001018, -1.47835, 16.7163 ] ]

[ [ 0.06217, -1.35662, 16.5924 ], [ 1.47769, -0.66132, 8.13534 ], [ -0.00719, -0.10313, 6.327 ], [ 1.40935, -0.88619, 14.5862 ], [ 1.53544, 0.80991, 1.97739 ], [ 1.52326, 0.63448, 12.0543 ], [ 0.07585, 0.05273, 9.8507 ], [ 0.12266, 1.45329, 4.33224 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_368" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1063314277274395076526303

10633142772743950765263033809655813838917761497123172362047429625070649797500965680264792046149215458555814142706509524711511250212522098290820398838953264

2025-04-16T17:07:03

DS_sn623uhg2d1b_0

1

VASP

DFT

-54.457491

[ [ 0.006435, 0.00365, 0.151046 ], [ -0.008837, 0.008614, -0.271094 ], [ 0.041097, -0.026014, -0.06992 ], [ 0.034655, -0.025028, -0.005821 ], [ 0.149807, -0.090734, 0.078811 ], [ -0.047144, 0.030376, 0.204602 ], [ -0.176014, 0.099137, -0.087625 ] ]

[ [ -0.011162190090547102, -0.013208531272559184, 0.0036044715201975813 ], [ -0.013208531272559184, -0.027192632469100628, -0.0013630207629103859 ], [ 0.0036044715201975813, -0.0013630207629103859, -0.001650816748704863 ] ]

true

null

0.271375

0.167903

null

CO_7027158315586116050837503

7027158315586116050837503845424549894526357786399820655120618068045190253715298192296893587920296578659237240524625008949444654874581653766094931506885641

6906495036830565550650340482613864648083601898737896078344062231689920334257366676595427387089869975805510650276244316933600916764559852189423456062344162

[ [ 2.5161, 0.002494, -0.165055 ], [ -1.25465, 2.17942, 0.174073 ], [ 1.28677, -0.742907, 14.7209 ] ]

[ [ 2.32512, 0.11211, 6.37701 ], [ 1.17773, 0.77515, 8.5372 ], [ 0.02179, 1.44254, 10.621 ], [ 2.67691, -0.09089, 12.3753 ], [ 0.3486, 1.25423, 14.6316 ], [ 1.33601, 0.68347, 2.02602 ], [ -0.20939, 1.5769, 4.51669 ] ]

[ true, true, true ]

Co4V3

A4B3

[ "Co", "V" ]

[ 0.5714285714285714, 0.42857142857142855 ]

[ 27, 27, 27, 27, 23, 23, 23 ]

7

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_92" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4747132620272906522411399

4747132620272906522411399722424283078761116690216404674168805728028168194440966760400931872583093306483322538010843168080038773475563986359218436492220751

2025-04-16T18:54:58

DS_sn623uhg2d1b_0

1

VASP

DFT

-50.339141

[ [ -0.34556, 0.555358, -0.58401 ], [ 0.000018, 0.00003, -0.000007 ], [ 0.345537, -0.555357, 0.583993 ], [ -0.157278, 0.089481, -0.029638 ], [ 0.157264, -0.089499, 0.029638 ], [ 0.000019, -0.000013, 0.000024 ] ]

[ [ -0.005963637139598936, -0.018210539101133287, -0.01033144522589204 ], [ -0.018210539101133287, -0.006052391399368995, 0.00939634232865221 ], [ -0.01033144522589204, 0.00939634232865221, -0.00974168502858733 ] ]

true

null

0.876871

0.353418

null

CO_1152604334436580321772685

11526043344365803217726855742272366831629849537911872953569755620558013875267878516665771910804085531855330910951742006263253579563460580402259799642414527

5040648745210936407777717351109717676744153241117015370361267629794789159095181016748668223419965141866348419630309265622825722896133147247667660251490030

[ [ 2.14736, 2.24141, 0.265286 ], [ -3.86272, 3.80933, -0.139942 ], [ 0.160334, 1.41985, 4.94959 ] ]

[ [ 0.46233, 3.40953, 3.99512 ], [ 0.216, 4.14607, 0.19532 ], [ -2.01736, 4.06106, 1.07982 ], [ -0.22437, 2.16381, 1.97533 ], [ -1.33065, 5.30678, 3.09961 ], [ 0, 0, 0 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_367" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1023690073799118342714969

10236900737991183427149690002055898125656104924617861142444882681066613667839414399482716899994086534218618851393259396309817365994784701162778139932421679

2025-04-16T16:54:22

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.810858

[ [ 0.000027, 0.511331, 0.00003 ], [ 0.00003, -0.338432, 0.560254 ], [ 0.00003, -0.338433, -0.560342 ], [ -0.000025, 0.10314, 0.318221 ], [ -0.000025, 0.103136, -0.318303 ], [ -0.000026, -0.300625, 0.000037 ], [ -0.000054, 0.875573, 0.000049 ], [ 0.000043, -0.615689, 0.000055 ] ]

[ [ -0.04502281400410259, 6.241509125883259e-8, 0 ], [ 6.241509125883259e-8, 0.008773564548071579, -1.2483018251766518e-7 ], [ 0, -1.2483018251766518e-7, -0.04208568463964444 ] ]

true

null

0.875573

0.535186

null

CO_6703295502369023139251858

6703295502369023139251858583677579893894003466841514668000804254593169618329250565602386658924117766364019516408719288327731901732325299862515092075183917

4741331465076068543073705167317438950064829079149432972103025145425898972944227302377500572368447444721509212186775325543257031807165033552730658933703625

[ [ 3.08505, 0, 0 ], [ 0, 4.45401, 3.80169 ], [ 0, -4.45401, 3.80169 ] ]

[ [ 1.54252, 2.25687, 3.80169 ], [ 1.54252, 0.63046, 1.83582 ], [ 1.54252, 0.63046, 5.76757 ], [ 0, -1.74573, 5.69768 ], [ 0, -1.74573, 1.90571 ], [ 0, 4.44188, 3.80169 ], [ 0, 0.37619, 3.80169 ], [ 1.54252, -1.87505, 3.80169 ] ]

[ true, true, true ]

Co5Nb3

A5B3

[ "Co", "Nb" ]

[ 0.625, 0.375 ]

[ 27, 27, 27, 27, 27, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_88" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4774382340264467624439368

4774382340264467624439368566572354414994184976352940156281156179323335688735091704351179892558709617757462984888035767578182390956166964635926563211006939

2025-04-16T21:29:37

DS_sn623uhg2d1b_0

1

VASP

DFT

-63.764645

[ [ -0.000013, -0.000043, -0.000023 ], [ -0.000013, 0.000023, 0.000042 ], [ 0.000032, -0.000029, 0.000028 ], [ 0.000024, 0.000026, -0.000026 ], [ -0.000003, 0.000055, -0.000054 ], [ 0.00005, -0.000069, 0.000068 ], [ -0.000038, 0.000069, 0.000032 ], [ -0.000038, -0.000032, -0.000068 ] ]

[ [ 0.013984475687088991, 0, 0.00010223591948196775 ], [ 0, 0.013774074414455469, 0 ], [ 0.00010223591948196775, 0, 0.014088271983852431 ] ]

true

null

0.000109

0.000069

null

CO_8011023449188511374068214

8011023449188511374068214735417514916578400808072284098258631546881381097565923896421157816048796715307347423643283649713314722715841919072908538772437588

2511997164134968728086932988477832317509132111269608032220421931946370631640405478631604027691784281649173049126277658374695325795172682939165335265734295

[ [ 3.62919, 0, 3.62919 ], [ 3.62919, 3.62919, 0 ], [ -3.62919, 3.62919, 0 ] ]

[ [ 0, 0, 0 ], [ 0, 1.81459, 1.81459 ], [ 1.81459, 0, 1.81459 ], [ 1.81459, 1.81459, 0 ], [ -1.81459, 1.81459, 0 ], [ 1.81459, 3.62919, 1.81459 ], [ 0, 5.44378, 1.81459 ], [ 0, 3.62919, 0 ] ]

[ true, true, true ]

Co4V4

CoV

AB

[ "Co", "V" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 23, 23, 23, 23 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_120" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4770143387568384305841938

4770143387568384305841938028946623869137904717312205875899950663829674707861979349638314359448649883504836371788606933576861667821066929172840046008868717

2025-04-16T20:35:24

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.99153

[ [ 0.018433, 0.135078, 0.746996 ], [ 0.24096, -0.317448, -0.453909 ], [ 0.131976, -0.163715, 0.249974 ], [ -0.088087, 0.063551, -0.367495 ], [ 0.147647, -0.188271, -0.580824 ], [ 0.528991, -0.404493, 0.993928 ], [ -0.649842, 0.640971, -0.360117 ], [ -0.330078, 0.234326, -0.228553 ] ]

[ [ 0.0032103202188980533, -0.014922449678526727, -0.00906167260932235 ], [ -0.014922449678526727, 0.007291143715583045, 0.0034378856416277573 ], [ -0.00906167260932235, 0.0034378856416277573, -0.0032860297245950174 ] ]

true

null

1.196386

0.667988

null

CO_3285215276738834021405026

328521527673883402140502690959872068478370850357098574523318620587863478294349939270182844853643645202024200660500020269333216461597615488593908254335737

7513950174669553951101097754869903095506188700176568799538906562291794436920587930898661616012687033567550435609404524758015078164410919083826346510536374

[ [ 2.10155, 2.08075, -0.260555 ], [ -4.08431, 6.1088, -2.00263 ], [ -1.75226, 0.163336, 4.99455 ] ]

[ [ -1.76827, 2.14703, 3.51673 ], [ -1.74425, 4.04686, 1.79494 ], [ -3.84669, 4.23651, 2.96429 ], [ -2.04297, 6.28651, -0.92427 ], [ 0.02886, 2.2588, 1.63842 ], [ -0.26352, 4.47856, -0.46399 ], [ -3.4868, 5.82003, 1.08211 ], [ -5.7855, 6.23297, 2.94349 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_0" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4769752635427076656774118

4769752635427076656774118501430040210853333606983560327419164628179218908387655382313644881340684570688715604872700655221625006206255540092199333620064606

2025-04-16T21:43:25

DS_sn623uhg2d1b_0

1

VASP

DFT

-51.185496

[ [ 0.133724, -0.123492, -0.031114 ], [ 0.000015, 0.000053, 0.00001 ], [ -0.133818, 0.12343, 0.031048 ], [ -0.103841, 0.047373, 0.126658 ], [ 0.103844, -0.047407, -0.126644 ], [ 0.000076, 0.000043, 0.000041 ] ]

[ [ 0.013479038278074966, -0.00510530480460747, 0.0067485693272700134 ], [ -0.00510530480460747, 0.018924754990408108, -0.005575290441786479 ], [ 0.0067485693272700134, -0.005575290441786479, 0.006454906322897206 ] ]

true

null

0.184679

0.118415

null

CO_6200186202990838745570824

6200186202990838745570824240940955054367557172259220862227602404134895449504048785011469062200023449821619221520678317835154195401605862320543503671047314

9064853092033202632034119974244851698191691153318129029848329919258596340762617967046744130676876696276733964940041723825856271507567498097978586817078776

[ [ 2.56745, 2.77337, 0.779418 ], [ -3.59167, 3.4617, -0.376412 ], [ 0.328115, 1.08398, 4.57352 ] ]

[ [ 1.02924, 3.28308, 4.02561 ], [ 1.09973, 5.58819, 5.16473 ], [ -1.72534, 4.03596, 0.95092 ], [ -0.07863, 2.22227, 1.92553 ], [ -0.61748, 5.09677, 3.05099 ], [ -0.69611, 7.31904, 4.97652 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_18" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1067428849670885706484783

10674288496708857064847836215043028286266800968871089810572867009929917091873508942641829756010903534850143195677502532091996987120904260067977720773515607

2025-04-16T16:23:19

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.498025

[ [ 0, -0.101403, 0.000133 ], [ 0, -0.10139, 0.000131 ], [ 0, -0.416418, 0.000062 ], [ 0, -0.416424, 0.000062 ], [ 0, 0.152175, -0.000095 ], [ 0, 0.152175, -0.000202 ], [ 0, 0.365642, -0.000055 ], [ 0, 0.365642, -0.000036 ] ]

[ [ -0.0617937490253509, 0, 0 ], [ 0, 0.06631135333066521, 0 ], [ 0, 0, -0.06297826262726103 ] ]

true

null

0.416424

0.258909

null

CO_8564870649805457926595987

8564870649805457926595987589724255333032533471805820854014004391661790756100496751035956412176728395312525162778132709953599097942248530417921836478745693

1048592828971676332813208473029904792560027443714055774650004752665095347101195574006808989300089999645204638887838234753930859281100918246634996129226490

[ [ 3.2274, 0, 0 ], [ 0, 4.59022, 0 ], [ 0, 0, 7.0129 ] ]

[ [ 1.6137, 0.51498, 1.75322 ], [ 1.6137, 0.51498, 5.25967 ], [ 0, 2.68138, 1.75322 ], [ 0, 2.68138, 5.25967 ], [ 0, 0.30419, 0 ], [ 0, 0.30419, 3.50646 ], [ 1.6137, 2.61975, 0 ], [ 1.6137, 2.61975, 3.50645 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_355" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1067472350100035122463386

10674723501000351224633863643157583106810093533578470338407627475406472411417039098988193848766788003800040811078541483492845659558403997110849721303497192

2025-04-16T21:43:16

DS_sn623uhg2d1b_0

1

VASP

DFT

-63.55514

[ [ 0.000118, -0.000066, -0.010804 ], [ -0.000062, 0.000036, 0.054846 ], [ 0.000143, -0.000082, -0.262453 ], [ 0.000004, -0.000002, 0.017555 ], [ 0.000127, -0.000068, 2.644187 ], [ -0.000332, 0.000184, -2.493566 ], [ -0.000213, 0.000118, -3.657832 ], [ 0.000215, -0.000121, 3.708065 ] ]

[ [ -0.033443254198307674, -0.000008301207137424733, 0.0000073649807685422446 ], [ -0.000008301207137424733, -0.03345292853745279, -0.000004244226205600616 ], [ 0.0000073649807685422446, -0.000004244226205600616, -0.033759261805351146 ] ]

true

null

3.708065

1.606164

null

CO_6931965897979422166278427

6931965897979422166278427729739342120084051776568402270285948642117241739993018428909625416476612873552443614303920280315042695459728336614002113965378971

10410651517702187518956472616767285757515479229703928203035142482590381422130149332406769975751226874094927774663525462214197917761383185498944788355425941

[ [ 2.64772, 0, 0 ], [ -1.32386, 2.29299, 0 ], [ 1.32386, -0.76433, 17.2948 ] ]

[ [ 0, 0, 0 ], [ 1.32386, 0.76433, 2.16185 ], [ 0, 1.52866, 4.3237 ], [ 2.64772, 0, 10.8093 ], [ 0, 1.52866, 8.6474 ], [ 1.32386, 0.76433, 12.9711 ], [ 2.64772, 0, 6.48555 ], [ 2.64772, 0, 15.133 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_338" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1068433461765840681229477

10684334617658406812294779743218837165546443024411353206284331016688902612852610128194705962444406768136662682614510891885001867354988266232348618601783439

2025-04-16T20:19:31

DS_sn623uhg2d1b_0

1

VASP

DFT

-63.818636

[ [ 0, 0.89197, 0 ], [ 0, -0.945495, 0 ], [ 0, 0.945493, 0 ], [ 0, -0.891967, 0 ], [ 0, -1.291563, 0 ], [ 0, 1.29156, 0 ], [ 0, 1.398936, 0 ], [ 0, -1.398934, 0 ] ]

[ [ -0.03586614562588429, 0, 0 ], [ 0, -0.01512380076292772, 0 ], [ 0, 0, -0.04303308330986226 ] ]

true

null

1.398936

1.13199

null

CO_1016215309922616760196359

10162153099226167601963598609883224510325867901134772188002900945256918285063870315458207900723717006508038254342311641284140924925308128816241840037543513

7369993153969534177327191375054548441957349037138360771956509846410236301121166512367381761643595018742023519418618032259495722808601389124102519213349108

[ [ 2.64772, 0, 0 ], [ 0, 9.17196, 0 ], [ 0, 0, 4.3237 ] ]

[ [ 0, 4.58598, 0 ], [ 1.32386, 6.87897, 0 ], [ 1.32386, 5.35031, 2.16185 ], [ 0, 7.6433, 2.16185 ], [ 0, 0, 0 ], [ 0, 3.05732, 2.16185 ], [ 1.32386, 2.29299, 0 ], [ 1.32386, 0.76433, 2.16185 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_174" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4793745431139995255796769

4793745431139995255796769133979573496548472863914357511500500308559048479403668933654701689460728696084964540011023243171780977450146898313436679296091471

2025-04-17T18:37:27

DS_sn623uhg2d1b_0

1

VASP

DFT

-58.56572

[ [ -0.000001, 0.000205, -0.200538 ], [ 0, 0.000203, 0.111219 ], [ 0, -0.000258, 1.472072 ], [ 0, -0.000291, -0.150232 ], [ 0.000001, 0.00002, 0.216964 ], [ 0.000001, 0.000477, -1.439535 ], [ 0, 0.000377, -6.133963 ], [ 0, -0.000732, 6.124013 ] ]

[ [ -0.051053547366804765, 0, 0 ], [ 0, -0.0511156503826073, -0.000026588828876262677 ], [ 0, -0.000026588828876262677, -0.059736110711820965 ] ]

true

null

6.133963

1.981067

null

CO_4609226335721115159514220

4609226335721115159514220713659234418511013050951277894429291304851599124813612044927935306618091854540046702313700205454379920174567645884544406593934115

9655065005459027563291572688222951238912504464479862896535962338698916607198824431682016700162859427916064436937555179012931669547317115499629429746011761

[ [ 2.59804, 0, 0 ], [ -1.29902, 2.24997, 0 ], [ 0, -1.49998, 16.9703 ] ]

[ [ 1.29902, -0.74999, 8.48516 ], [ 0, 0, 10.6064 ], [ 0, 1.49998, 4.24258 ], [ 1.29902, 0.74999, 12.7277 ], [ 0, 0, 6.36387 ], [ 1.29902, -0.74999, 14.849 ], [ 0, 0, 0 ], [ 1.29902, 0.74999, 2.12129 ] ]

[ true, true, true ]

Co6Nb2

Co3Nb

A3B

[ "Co", "Nb" ]

[ 0.75, 0.25 ]

[ 27, 27, 27, 27, 27, 27, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_199" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_4522013543632771759834533

4522013543632771759834533326281084713430744189110360728744981501412150511788942833761799394169747790159118624654234686128317372495177326567645607880866377

2025-04-16T21:27:46

DS_sn623uhg2d1b_0

1

VASP

DFT

-49.795871

[ [ 0, -0.130035, 0.759596 ], [ 0, -0.000146, -0.000077 ], [ 0, 0.130185, -0.759471 ], [ 0, 0.427763, -0.08372 ], [ 0, -0.427953, 0.083794 ], [ 0, 0.000185, -0.000122 ] ]

[ [ -0.010158742668378849, 0, 0 ], [ 0, 0.011130295978913837, -0.010311347566506696 ], [ 0, -0.010311347566506696, 0.003654590838478424 ] ]

true

null

0.770646

0.402256

null

CO_6408755799734964156522583

6408755799734964156522583400687098810523350508550744024182541482793062935958694966572506151842622766121954326500319420245064271645698530985064792203818878

2601125135011937667912238850991380972997510199672840841342239871856719046045318981507148785168472991123031559848720964036629828735303243257109061657658466

[ [ 2.6738, 0, 0 ], [ 0, -1.54372, 6.54943 ], [ 0, -4.63115, 0 ] ]

[ [ 1.3369, -2.31557, 0 ], [ 0, -1.54372, 2.18315 ], [ 1.3369, -5.40301, 4.36629 ], [ 0, 0, 0 ], [ 0, -3.08743, 4.36629 ], [ 1.3369, -3.85929, 2.18315 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_292" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5027049552672494508859257

5027049552672494508859257980856880594424850605732631978890143739190811952151257821822642812091722690098843853407557559184084128307749259996703648970036277

2025-04-16T18:26:37

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.872926

[ [ 0, 0.100549, 0.176511 ], [ 0, 0.094484, 0.25751 ], [ 0, -0.269901, -0.014433 ], [ 0, 0.06516, -0.121536 ], [ 0, 0.607193, 0.321261 ], [ 0, -0.504448, -0.641031 ], [ 0, 0.105165, -0.646641 ], [ 0, -0.198202, 0.668359 ] ]

[ [ -0.007869169875731094, 0, 0 ], [ 0, 0.03150713806745869, 0.0014783014364654497 ], [ 0, 0.0014783014364654497, 0.009531346171045065 ] ]

true

null

0.815714

0.467569

null

CO_2432348544467831407974267

2432348544467831407974267409093710355593278330953785527867515133554392466585875560501170181582784017780362184832493153501911103691623943483359663379572801

9983599786812648355541122195345885330082371493084709752691725776054571224122489521381937999911620251101939094306993865492995194161930314042907949030769935

[ [ 2.59108, 0, 0 ], [ 0, 4.6285, 4.54817 ], [ 0, -4.74383, 4.64362 ] ]

[ [ 0, -0.10319, 4.49826 ], [ 1.29554, -2.2197, 5.05173 ], [ 1.29554, 0.45847, 6.50096 ], [ 0, -1.56859, 7.05257 ], [ 1.29554, 2.31401, 4.61771 ], [ 1.29554, 0.73711, 2.19372 ], [ 0, -1.96082, 2.79898 ], [ 0, 0.26166, 8.66507 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_226" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5025644126360063595592887

5025644126360063595592887617291242412674321290427898619490440809335702476257309235738129909575819010116020658516341700318834748508442725400681072760388045

2025-04-16T17:07:04

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.458267

[ [ -0.000013, 0.527977, -0.737916 ], [ -0.000012, -0.276638, 0.684693 ], [ 0.000009, -0.51798, 0.023176 ], [ -0.000013, 0.377139, -0.011192 ], [ 0.000016, -0.364362, -3.148694 ], [ -0.000023, 0.015792, 0.02461 ], [ 0.000022, 0.292034, 3.09649 ], [ 0.000014, -0.053963, 0.068833 ] ]

[ [ -0.02756319086590431, 6.241509125883259e-8, 0 ], [ 6.241509125883259e-8, -0.0019260673011563144, 0.0018705178699359537 ], [ 0, 0.0018705178699359537, -0.02489450880895041 ] ]

true

null

3.169706

1.117282

null

CO_4911739774037030616788768

4911739774037030616788768576427249811146885665683093971706849919903160201732405072569255957286469867796666095346359365819455136336100125329223556594700416

5499292726684411111785013952323595818746238704655866122676658298104588079738115663734973226150371184485507751801516000414328821390296527629302988135971637

[ [ 2.68665, 0, 0 ], [ 0, 4.65341, 0 ], [ 0, 1.55113, 8.77455 ] ]

[ [ 0, 0, 0 ], [ 0, 1.55113, 4.38727 ], [ 1.34332, 2.3267, 6.58091 ], [ 0, 4.65341, 6.58091 ], [ 1.34332, 2.3267, 0 ], [ 0, 3.10227, 2.19364 ], [ 1.34332, 3.87784, 4.38727 ], [ 1.34332, 0.77557, 2.19364 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_164" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5040675063021639944492873

504067506302163994449287359777155197817935969883812478808371904040643108037825206885386384240010634586448700671848350340433554020377894633154790708207918

2025-04-16T21:21:56

DS_sn623uhg2d1b_0

1

VASP

DFT

-63.915088

[ [ -0.172519, 0.173556, -0.000024 ], [ -0.46979, -0.470004, 0.000022 ], [ 0.469841, 0.470027, 0.000022 ], [ 0.172538, -0.173557, -0.000024 ], [ 0.000034, -0.000035, -0.000045 ], [ -0.147775, -0.147242, 0.000047 ], [ -0.000053, -0.000001, -0.000045 ], [ 0.147722, 0.147257, 0.000047 ] ]

[ [ 0.012626635376753091, -0.010406093675037604, 0 ], [ -0.010406093675037604, 0.01269023635474584, 0 ], [ 0, 0, 0.011910110129101691 ] ]

true

null

0.664587

0.279486

null

CO_1049115711572594839012880

10491157115725948390128804469520301626520006711017197361739283853044827615785429607319509262195075853182199968471224567993558599802971537651533588014716646

10999808551649159639957447155357917929990749517604042440520622264910657070958199095112526943809917181621908482101277620416659415375630414885339480753010103

[ [ 0, 0, 3.62919 ], [ 1.81459, 5.44378, 0 ], [ -3.62919, 3.62919, 0 ] ]

[ [ 0, 0, 0 ], [ 0, 1.81459, 1.81459 ], [ 0, 5.44378, 1.81459 ], [ -1.81459, 1.81459, 0 ], [ 0, 3.62919, 0 ], [ -1.81459, 3.62919, 1.81459 ], [ -1.81459, 5.44378, 0 ], [ -1.81459, 7.25837, 1.81459 ] ]

[ true, true, true ]

Co4V4

CoV

AB

[ "Co", "V" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 23, 23, 23, 23 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_294" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5059116938769854128885620

5059116938769854128885620045869315985181732952437614997347632051229056163970584513867054323922486471306259990237076301617321977902639498787884899300838076

2025-04-17T18:26:41

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.476607

[ [ 0, -0.000016, 0 ], [ -0.000247, 2.473215, 0.000247 ], [ 0, -0.000016, 0 ], [ 0.000247, -2.473192, -0.000247 ], [ -0.00104, 0.000007, -0.00104 ], [ 0.00104, 0.000005, 0.00104 ], [ 0.000554, 4.279297, -0.000554 ], [ -0.000554, -4.279301, 0.000554 ] ]

[ [ -0.007438942651683962, -0.00003414105491858142, 0.00007658331697458758 ], [ -0.00003414105491858142, -0.04402748054379799, 0.00003414105491858142 ], [ 0.00007658331697458758, 0.00003414105491858142, -0.007438942651683962 ] ]

true

null

4.279301

1.688497

null

CO_9528127525484016642411046

9528127525484016642411046406316502645803555769184105507187002521803360672693058698644813607139366709980653291852793852158539691536915487077710748444497229

10010552817723876118438498419178302670674810976338885615150603080203796244490431901141475836519195098217730418316204974552503237734160375357611395799633052

[ [ 0, 0, 3.74444 ], [ -1.87222, 7.48887, 1.87222 ], [ -3.74444, 0, 0 ] ]

[ [ -3.74444, 3.74444, 3.74444 ], [ -1.87222, 1.87222, 3.74444 ], [ -1.87222, 3.74444, 1.87222 ], [ -1.87222, 5.61665, 3.74444 ], [ 0, 0, 0 ], [ -1.87222, 0, 1.87222 ], [ -3.74444, 1.87222, 1.87222 ], [ -3.74444, 5.61665, 1.87222 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_159" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5071631509618451364771600

507163150961845136477160090783766181907755249000817101359689951850917451570408726605353896685790418698646165696649846318082210372798711492299517861814259

2025-04-16T18:55:55

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.453506

[ [ -0.000041, 0.000041, 0.000052 ], [ 0.712815, -0.712815, -0.000035 ], [ -0.712835, 0.712835, 0.00002 ], [ -0.000023, 0.000023, -0.00002 ], [ -1.073721, 1.073721, 0.000023 ], [ 1.073721, -1.073721, -0.000068 ], [ 0.000038, -0.000038, -0.000005 ], [ 0.000046, -0.000046, 0.000032 ] ]

[ [ -0.028233716191297952, -0.016331657608968653, 2.4966036503533035e-7 ], [ -0.016331657608968653, -0.028233716191297952, -2.4966036503533035e-7 ], [ 2.4966036503533035e-7, -2.4966036503533035e-7, -0.015174544232121152 ] ]

true

null

1.518471

0.63167

null

CO_8526000360521113996602187

8526000360521113996602187993240501221289132065972706047686828557978936131000335919873345338464832830589853557463449420962943676005512063022354972774509351

1244925418368522161761350781552832130960049627487050759429586633401231206946953194014075616539903816188989464286175267744066514045213135453188601133463779

[ [ 2.11533, 2.11533, 0 ], [ -3.94605, 3.94605, 0 ], [ 0, 0, 6.24119 ] ]

[ [ -1.90187, 4.0172, 4.68089 ], [ -0.2555, 0.2555, 3.1206 ], [ -1.71752, 1.71752, 0 ], [ -1.90187, 4.0172, 1.5603 ], [ -3.67301, 3.67301, 0 ], [ -2.24606, 2.24606, 3.1206 ], [ 0.07115, 2.04418, 1.5603 ], [ 0.07115, 2.04418, 4.68089 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_196" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5087394352890437423019775

5087394352890437423019775453846690457118931273808842102745301973758388385282336829922366962225084066098857156635783286093173552189678061513747188968954954

2025-04-16T17:17:43

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.19275

[ [ -0.140446, 0.084707, -0.026483 ], [ -0.53061, 0.30802, -0.786982 ], [ 0.574828, -0.323326, 0.087977 ], [ -0.015576, -0.007419, -0.197011 ], [ 0.3589, -0.208459, 0.64197 ], [ -0.449496, 0.267751, -0.095227 ], [ 0.080847, -0.044077, 0.390869 ], [ 0.121554, -0.077197, -0.015113 ] ]

[ [ -0.006770352194119346, -0.0061832758457387674, -0.011075745189153618 ], [ -0.0061832758457387674, -0.014024546175677164, 0.006100575849820814 ], [ -0.011075745189153618, 0.006100575849820814, -0.0002564011948912842 ] ]

true

null

0.99788

0.483719

null

CO_7635760201481947663713126

7635760201481947663713126267716408229884396734950281007960223687317649930398234574948029801075600644118529260951603983607571628161041465069153687491504219

9021508973524782180099320047178242639646959940547350586197067009290193051181442358097584695328730707092072796852377179092573880497474685710481590904702748

[ [ 2.61275, 0.231367, -0.227582 ], [ -1.10548, 2.37787, 0.224753 ], [ 1.31875, -0.761387, 17.223 ] ]

[ [ 0.06671, 1.69941, 4.82387 ], [ 2.51492, 0.28597, 6.49279 ], [ 0.04671, 1.71103, 8.65676 ], [ 2.52267, 0.28603, 10.1653 ], [ -0.49286, 2.02553, 0.37777 ], [ 0.98651, 1.16964, 12.4611 ], [ 2.78044, 0.13407, 14.7551 ], [ 1.59993, 0.81815, 2.61195 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_319" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1029761599997932190986871

10297615999979321909868715347602307219640615777040758597284023964635529928462568711124260717067634523613519802777952241964432401937061117169412860747171630

2025-04-16T17:33:30

DS_sn623uhg2d1b_0

1

VASP

DFT

-49.575338

[ [ 0.138456, 0.079937, 0 ], [ -0.138444, 0.079917, 0 ], [ 0.000001, -0.159834, 0 ], [ 0.000068, -0.00008, 0 ], [ -0.000095, -0.000008, 0 ], [ 0.000014, 0.000067, 0 ] ]

[ [ -0.006665619670987025, -2.4966036503533035e-7, 0 ], [ -2.4966036503533035e-7, -0.0066648706898919195, 0 ], [ 0, 0, 0.006053452455920395 ] ]

true

null

0.159875

0.079972

null

CO_6006016716501694082204998

6006016716501694082204998220038935006744963001792427722249064970101971529406160703671292852990931488423222710097134293642858872192972132748610892143398333

11651921190700721164362141159021554226360516957236376973708108978620781691007172503111436614445144219336196061422689940917152705613231301649491918464661203

[ [ 0, 0, 4.26226 ], [ 4.0453, 2.33555, 0 ], [ 0, 4.67111, 0 ] ]

[ [ 1.25692, 5.39679, 2.13113 ], [ 2.78838, 3.06124, 2.13113 ], [ 0, 3.21974, 2.13113 ], [ 1.34843, 2.33556, 0 ], [ 2.69687, 4.67111, 0 ], [ 0, 0, 0 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_246" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1029617988876686778289052

10296179888766867782890529259688528754066386472289939306358586698529346254125758161863639464730775778077166120674269601352351958337610643941137739097599469

2025-04-16T16:26:41

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.157043

[ [ 0.000002, 0.141961, -0.000024 ], [ -0.270759, 0.064625, 0.000023 ], [ 0.000009, -0.391357, 0.000031 ], [ 0.270753, 0.064631, 0.000023 ], [ 0.280178, -0.018882, 0.000001 ], [ -0.280184, -0.01889, 0.000001 ], [ 0.000001, -0.310029, 0.000002 ], [ 0.000002, 0.467942, -0.000055 ] ]

[ [ 0.005110859747729506, 6.241509125883259e-8, 0 ], [ 6.241509125883259e-8, 0.004183184246349478, 3.120754562941629e-7 ], [ 0, 3.120754562941629e-7, -0.0037441564944348488 ] ]

true

null

0.467942

0.303706

null

CO_9111293516404286897509395

9111293516404286897509395800587010616356194512971938213573693417029227506640925541126212678108660448357349385028328814346270517337954073294561220538708112

129463770229550706400828922852301156021802706771584124767009420580908416920737853248921878739375747158208223190829077815911052418198226797860825747549342

[ [ 0, 0, 4.28103 ], [ 2.68278, -4.58162, 0 ], [ 2.68278, 4.58162, 0 ] ]

[ [ 4.02417, 2.27287, 0 ], [ 2.78866, 2.96454, 2.14051 ], [ 4.02417, 0.90956, 2.14051 ], [ 2.5769, -1.61708, 2.14051 ], [ 5.35114, -0.02306, 0 ], [ 2.6972, -0.02306, 0 ], [ 1.34139, 2.28685, 0 ], [ 1.34139, 0.86539, 2.14052 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_46" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5117530037005120540402408

5117530037005120540402408077817916950332962825575415332286915258932847006687103633798298486936777005444768559919788704044743373598097642197438930605076132

2025-04-16T15:42:26

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.333159

[ [ 0.000103, -0.000004, -0.000228 ], [ 0.000021, -0.000016, 0.000003 ], [ -0.000036, 0.000006, 0.000044 ], [ -0.000022, 0.000026, -0.000057 ], [ -0.000004, 0.000027, -0.000017 ], [ -0.00003, 0.000017, 0.000005 ], [ 0.000096, -0.00003, -0.00008 ], [ -0.000128, -0.000027, 0.000329 ] ]

[ [ -0.01260953364174817, -0.03338870340854745, 0.030261582506297423 ], [ -0.03338870340854745, -0.05357093524254726, 0.01153967656248052 ], [ 0.030261582506297423, 0.01153967656248052, 0.016849016300413112 ] ]

true

null

0.000354

0.000119

null

CO_8713034903173879370779394

8713034903173879370779394646065520359289173842740612785294356611745619638629201846991526114124627245033178807832553663694213720803499678316245071542923254

4092465955154991284579321137718129168445360113949783177651455766352297946209038380058289869424243186968777768654016672801885278720529165758922789852608226

[ [ 1.59869, 1.98597, 0.394999 ], [ -8.52893, 8.54472, 10.2327 ], [ -0.405817, -2.06944, 2.63538 ] ]

[ [ 0, 0, 0 ], [ -1.93547, 1.59795, 3.9746 ], [ -3.87093, 3.1959, 7.9492 ], [ -5.40058, 6.86329, 9.28843 ], [ -0.16839, 1.79196, 2.1848 ], [ -2.10385, 3.38991, 6.1594 ], [ -5.2322, 5.07133, 7.10363 ], [ -7.16767, 6.66928, 11.0782 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_232" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5121311027244471424609848

5121311027244471424609848026334332444441574702837460062798115631827113028514253538779431896213109328228741001648835030254876064247419354075118216979015778

2025-04-16T17:44:53

DS_sn623uhg2d1b_0

1

VASP

DFT

-49.187603

[ [ 0, -0.000562, 0.932449 ], [ 0, -0.000012, -0.000085 ], [ 0, 0.000555, -0.932641 ], [ 0, -0.000253, -0.048676 ], [ 0, 0.000273, 0.049031 ], [ 0, -0.000001, -0.000078 ] ]

[ [ -0.014515940189157951, 6.241509125883259e-8, 0 ], [ 6.241509125883259e-8, -0.014526925245219506, -0.000005180452574483104 ], [ 0, -0.000005180452574483104, 0.020767248484368846 ] ]

true

null

0.932641

0.32716

null

CO_2647004233696779979840173

2647004233696779979840173387658680068189777766546683315106629040163402046130381029415104674750253059326775319338314985557462025448361828971446704095673163

3618849846477745893257674770002564576761133914982365040581647371702855062260414938777209120062832049022735958942644459612529009565213851535745466172167364

[ [ 2.6738, 0, 0 ], [ -1.3369, 2.31557, 0 ], [ 0, 1.54372, 13.0989 ] ]

[ [ 0, 0, 0 ], [ 0, 1.54372, 8.73258 ], [ 0, 1.54372, 4.36629 ], [ 1.3369, 0.77186, 6.54944 ], [ 1.3369, 2.31557, 10.9157 ], [ 1.3369, 0.77186, 2.18315 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_132" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5135351225166988293297224

5135351225166988293297224183375783982093674079656810188756082427286477089764278620750062446385610063373867435212727593980802133175169210796886450136984950

2025-04-16T21:22:14

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.915647

[ [ 0.025833, -0.003869, 0.240599 ], [ -0.059072, 0.026724, -0.331638 ], [ 0.018419, -0.008052, -0.029881 ], [ -0.000492, -0.006553, -0.028439 ], [ -0.009124, 0.010363, -0.317458 ], [ 0.025725, -0.010226, 0.01907 ], [ 0.019149, -0.014215, 0.322554 ], [ -0.020439, 0.005828, 0.125193 ] ]

[ [ 0.00634137327189739, 0.0005617358213294932, 0.0005378308413773604 ], [ 0.0005617358213294932, 0.006932881091757347, 0.00026058300600562606 ], [ 0.0005378308413773604, 0.00026058300600562606, 0.008103725788681786 ] ]

true

null

0.337916

0.180865

null

CO_1070248089310183963588042

10702480893101839635880422797657540754808272244751151893282400497849985830241616687465535660975691126089545621692506821537571246399521305919393561200690055

7257549438326409971499796763275090851606045940101684174128702836981910071858537977127743301511482166076063149851563939200458700012634187660195057241983306

[ [ 2.80117, 0.76146, -0.171783 ], [ -0.74175, 2.80712, 0.179983 ], [ 0.994648, -0.575309, 13.078 ] ]

[ [ 2.16395, 1.12747, 2.12213 ], [ 2.36853, 1.01283, 4.75319 ], [ 0.69341, 1.97727, 6.36836 ], [ 0.92612, 1.84465, 9.52917 ], [ 0.25162, 2.23247, 0.52475 ], [ 2.57325, 0.89189, 7.71462 ], [ 2.82933, 0.74413, 11.0589 ], [ 0.50322, 2.08907, 3.67623 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_160" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5140357799180204186060059

5140357799180204186060059405179018562471687698907145858505412258702855059570599882579865760654613493276222919940399178576584338819657377017396629449523515

2025-04-16T20:32:45

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.535513

[ [ 0.000002, 0.000037, -0.000018 ], [ -0.020526, 0.020511, -0.608318 ], [ 0.000006, -0.000007, -0.00002 ], [ 0.02051, -0.020526, 0.608344 ], [ -0.028097, 0.028074, -0.825234 ], [ 0.028068, -0.028092, 0.825204 ], [ 0.313278, -0.313256, -0.038872 ], [ -0.313241, 0.313261, 0.038913 ] ]

[ [ -0.007377338956611494, -0.001530418037666575, -0.0006886257018586998 ], [ -0.001530418037666575, -0.007376902050972681, 0.0006886881169499586 ], [ -0.0006886257018586998, 0.0006886881169499586, 0.011800134738303629 ] ]

true

null

0.826189

0.469987

null

CO_1093992912236177681112161

10939929122361776811121618854447990994007112931594378196370439424172473655834076153716855207121021436340650003273250430797637422320971339112072492766228345

12175556177397800661270997715633457550187147366794168577841499279764259777777279042680337961391298301678414794618170968937751205490436881260212981381816847

[ [ 1.99962, 1.99962, 0 ], [ -3.81773, 3.81773, 0.196298 ], [ -1.76207, 1.76207, 7.07788 ] ]

[ [ 0.08207, 1.91754, 1.79401 ], [ -1.90685, 1.90685, 0.32137 ], [ -1.82679, 3.82641, 1.89216 ], [ -3.74635, 3.74635, 3.46294 ], [ -3.81853, 3.81853, 0.3038 ], [ -1.83467, 1.83467, 3.48052 ], [ -1.90255, 3.90217, 5.38711 ], [ -3.51311, 5.51272, 5.47508 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_335" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5159551378492182442248255

51595513784921824422482558147337185999082281830665538983760886271268041204197230561404232670667468956513042537660545282925960879371649598089837044071012

2025-04-16T16:56:16

DS_sn623uhg2d1b_0

1

VASP

DFT

-63.162556

[ [ -0.328865, 0.328857, 0.814149 ], [ -0.000407, 0.00043, -2.003256 ], [ -0.000951, 0.00097, 1.729354 ], [ 0.328056, -0.328064, 0.814725 ], [ 0.000491, -0.000494, -1.638371 ], [ 1.1985, -1.198518, -2.258226 ], [ 0.000505, -0.00049, 4.796052 ], [ -1.197329, 1.19731, -2.254428 ] ]

[ [ -0.0364495394838806, -0.003938017767884782, -0.000005305282757000769 ], [ -0.003938017767884782, -0.0364495394838806, 0.000005055622391965439 ], [ -0.000005305282757000769, 0.000005055622391965439, -0.034848842053456584 ] ]

true

null

4.796052

2.210659

null

CO_6406101755023541940643255

6406101755023541940643255038682131749420463529127562416949744390124404293317750664184507134150680310635428046769172220401128025639061656086735237297768745

11031751018928673599134605827876928519981677528857290445818848435623999215820507393334065412071172121650243342229823932487487153571697051482839816694445627

[ [ 1.88286, 1.88286, 0 ], [ -3.76571, 3.76571, 0 ], [ -1.88286, 1.88286, 7.53142 ] ]

[ [ -1.88286, 1.88286, 3.76571 ], [ -1.88286, 3.76571, 5.64857 ], [ -1.88286, 3.76571, 1.88286 ], [ -3.76571, 3.76571, 3.76571 ], [ -3.76571, 5.64857, 5.64857 ], [ 0, 0, 0 ], [ 0, 1.88286, 1.88286 ], [ -1.88286, 1.88286, 0 ] ]

[ true, true, true ]

Co5Nb3

A5B3

[ "Co", "Nb" ]

[ 0.625, 0.375 ]

[ 27, 27, 27, 27, 27, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_291" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5154749093071293765284325

5154749093071293765284325874277558839257326318924551921906773435327764664508786130418230475556387682474852282632631969186089531491840131769996884286122951

2025-04-16T20:33:59

DS_sn623uhg2d1b_0

1

VASP

DFT

-61.081154

[ [ 0, 1.725118, 0 ], [ 0, 0.019771, 0 ], [ 0, -1.565804, 0 ], [ 0, 1.565808, 0 ], [ 0, -0.019773, 0 ], [ 0, -1.725118, 0 ], [ 0, 1.867798, 0 ], [ 0, -1.8678, 0 ] ]

[ [ -0.021502997580127966, 0, 0 ], [ 0, -0.024312300837688018, 0 ], [ 0, 0, -0.014652067503193464 ] ]

true

null

1.8678

1.294624

null

CO_4562790607052393867172563

4562790607052393867172563549976229317217340505813317320079000079654336979970399547075203428032799136343763481652368964340371216974414396611036663548857396

338751944068522669625326945949284437725888996094719117919820999535777489698707293317932843243088100291709335280196563099347371440143224269544519363592207

[ [ 2.59804, 0, 0 ], [ 0, 8.99987, 0 ], [ 0, 0, 4.24258 ] ]

[ [ 1.29902, 2.24997, 0 ], [ 0, 4.49993, 0 ], [ 1.29902, 6.7499, 0 ], [ 1.29902, 0.74999, 2.12129 ], [ 0, 2.99996, 2.12129 ], [ 1.29902, 5.24992, 2.12129 ], [ 0, 0, 0 ], [ 0, 7.49989, 2.12129 ] ]

[ true, true, true ]

Co6Nb2

Co3Nb

A3B

[ "Co", "Nb" ]

[ 0.75, 0.25 ]

[ 27, 27, 27, 27, 27, 27, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_165" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5169913693637223101276549

5169913693637223101276549135084179665474044690307438497886737130397003324671131945976401757355382384159128422380498185280096898263925723761277865114350807

2025-04-16T17:10:46

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.133816

[ [ 0, 0.379844, -0.258497 ], [ 0, 0.307054, 0.112136 ], [ 0, -0.159958, -0.363871 ], [ 0, -0.120709, 0.045769 ], [ 0, -0.241862, -0.57931 ], [ 0, 0.009325, -0.097544 ], [ 0, -0.228806, 0.265568 ], [ 0, 0.055112, 0.87575 ] ]

[ [ 0.00993092758528411, 0, 0 ], [ 0, 0.010755743016269583, 0.009168277585192435 ], [ 0, 0.009168277585192435, 0.030321688239179675 ] ]

true

null

0.877482

0.408338

null

CO_6790208903880221541965837

6790208903880221541965837975799409937442515354604327704453310170031439277518232366088659137118646271568929178898278155908582690226213747962864914582931012

13081942942825692541869670523463725446612038178242226709496613743265857349700259345805409349762896933453438428673843776930598611455731664619918702651671702

[ [ 3.41712, 0, 0 ], [ 0, 3.50381, -1.48512 ], [ 0, 1.26762, 8.52391 ] ]

[ [ 1.70856, 1.55944, -0.20635 ], [ 1.70856, 0.41508, 1.98725 ], [ 0, 2.26131, 1.35018 ], [ 0, 3.83048, 4.83252 ], [ 0, 3.1921, -1.24283 ], [ 0, 1.30285, 3.7893 ], [ 1.70856, 3.08004, 3.0964 ], [ 1.70856, 2.1768, 6.0248 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_161" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1082682486047027868859306

10826824860470278688593061624723187183206844981267449779841014154074944018227985057343076356431476300387092248915995197120265469325258338451345084866727160

2025-04-16T16:03:23

DS_sn623uhg2d1b_0

1

VASP

DFT

-61.645118

[ [ 0, 0, 2.03003 ], [ 0, 0, -0.097285 ], [ 0, 0, 0.000001 ], [ 0, 0, 0.097269 ], [ 0, 0, -2.030131 ], [ 0, 0, 2.111343 ], [ 0, 0, -2.110408 ], [ 0, 0, -0.000819 ] ]

[ [ -0.05066757244246014, 0, 0 ], [ 0, -0.05066757244246014, 0 ], [ 0, 0, -0.04308182949613541 ] ]

true

null

2.111343

1.059661

null

CO_4708771663336162141716287

4708771663336162141716287169212437451234829227569993607804176689914262306107094043235583283917143276544275659680288358386024250841059614859588105878266328

4519232335961518552616171231762865648609898314420570855458313725204154863301971142180941736246874839668185525834640965081409075579470264923021065867733497

[ [ 1.85482, 1.85482, 0 ], [ -1.85482, 1.85482, 0 ], [ 0, 0, 14.8386 ] ]

[ [ 0, 0, 3.70964 ], [ 0, 1.85482, 5.56446 ], [ 0, 0, 7.41928 ], [ 0, 1.85482, 9.2741 ], [ 0, 0, 11.1289 ], [ 0, 1.85482, 1.85482 ], [ 0, 1.85482, 12.9837 ], [ 0, 0, 0 ] ]

[ true, true, true ]

Co5Nb2V

A5B2C

[ "Co", "Nb", "V" ]

[ 0.625, 0.25, 0.125 ]

[ 27, 27, 27, 27, 27, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_4" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5174562212509827246210905

5174562212509827246210905388943642176477007052341895892312431587636734804042283780509482603177222446595244255556955556573752341383154719653449432843688644

2025-04-16T15:42:26

DS_sn623uhg2d1b_0

1

VASP

DFT

-60.776712

[ [ 0, 0.000014, 0.161075 ], [ -0.000002, -0.00001, -0.795193 ], [ 0.000005, 0.000012, 0.618293 ], [ -0.000005, -0.000017, -0.618539 ], [ 0.000002, 0.000005, 0.79462 ], [ 0, -0.000015, -0.161056 ], [ 0.000001, 0.000007, -0.276845 ], [ -0.000001, 0.000004, 0.277646 ] ]

[ [ -0.021278365666687428, 2.4966036503533035e-7, 6.241509125883258e-7 ], [ 2.4966036503533035e-7, -0.021279926043968896, 0.0000013731320076943167 ], [ 6.241509125883258e-7, 0.0000013731320076943167, -0.012711644731047621 ] ]

true

null

0.795193

0.462908

null

CO_1113844966617177960823763

11138449666171779608237634509733519005817638538766693693319389796985341341357746547306503634852762200906784025766771756447635107253348349726644232823267589

3018912833699008013329839151525128655545217034733963954894476209665794351090236538261430288723960576282695787217279415386387576477062384429899623538751573

[ [ 2.6165, 0, 0.000007 ], [ -1.30825, 2.26595, 0.000006 ], [ 0, 0, 16.8453 ] ]

[ [ 0, 0, 16.787 ], [ 1.30825, 0.75532, 1.95123 ], [ 0, 0, 6.41102 ], [ 1.30825, 0.75532, 8.32865 ], [ 0, 0, 12.7885 ], [ 1.30825, 0.75532, 14.798 ], [ 0, 1.51063, 4.19563 ], [ 0, 1.51063, 10.544 ] ]

[ true, true, true ]

Co6Nb2

Co3Nb

A3B

[ "Co", "Nb" ]

[ 0.75, 0.25 ]

[ 27, 27, 27, 27, 27, 27, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_89" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5195533350579955031196209

5195533350579955031196209244860334773773568590379722969180779890954231552523784202317072648357007040960799671205624197617137165620865624820307210704461713

2025-04-16T17:14:08

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.252136

[ [ 0.000018, -0.24885, -0.000004 ], [ -0.000018, 0.219142, -0.000007 ], [ -0.000018, -0.219274, 0.000016 ], [ 0.000018, 0.248626, 0.000003 ], [ 0.000018, 0.286338, -0.000006 ], [ 0.000018, -0.286536, 0.000004 ], [ -0.000019, -0.146301, -0.000009 ], [ -0.000019, 0.146855, 0.000003 ] ]

[ [ 0.003322604968072694, 0, 0 ], [ 0, -0.01966793148202703, 0 ], [ 0, 0, -0.0024136539940703148 ] ]

true

null

0.286536

0.22524

null

CO_1317642930760056177952249

13176429307600561779522493728786712692390684185915508517095394971439501437772336732763825569330805342868731799731550936190253577866638447610449418056715673

12775752868220300882824728108164552340497017718790143666249183373590325228058106104064045840878572878149436515382292017160148527829867651758435881938996513

[ [ 2.92685, 0, 0 ], [ 0, 8.63619, 0 ], [ 0, 0, 4.11242 ] ]

[ [ 0, 4.4647, 0 ], [ 1.46343, 6.47624, 0 ], [ 1.46343, 0.72059, 2.05621 ], [ 0, 2.73212, 2.05621 ], [ 0, 0.26469, 0 ], [ 0, 6.93214, 2.05621 ], [ 1.46343, 2.57247, 0 ], [ 1.46343, 4.62436, 2.05621 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_342" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1033248086278863134014479

10332480862788631340144792729052197438157368922213505607396957948295655104004417335149950033771511118704154032599840771875371065563978359810290486709595236

2025-04-16T21:13:40

DS_sn623uhg2d1b_0

1

VASP

DFT

-57.397346

[ [ -0.008243, 0.424109, -0.116456 ], [ 0.007972, 0.062572, -0.176658 ], [ 0.098505, 0.403453, 0.452503 ], [ 0.203733, -0.332822, -0.042913 ], [ 0.050516, -0.156864, 0.235504 ], [ -0.137445, -0.028349, 0.603275 ], [ -0.215039, -0.372099, -0.955255 ] ]

[ [ -0.01779229557460785, -0.005639265910326783, 0.004455126798964211 ], [ -0.005639265910326783, 0.00756733049440338, 0.0064311885882188495 ], [ 0.004455126798964211, 0.0064311885882188495, -0.00500319371530802 ] ]

true

null

1.047479

0.512649

null

CO_1170771199874426449849396

11707711998744264498493960357915533865525806622499861049127199880031484611184174221607086758917142625819670065696611262691394791563601869310838873530067735

12393382032095647105814898587511319278653413869632429803978599553447587249113885674296801070341080188246932605209374664566661375891848330925093618780739504

[ [ 2.97571, -0.161684, 0.087533 ], [ -1.43929, 2.31164, -0.067177 ], [ 1.29208, 0.750599, 14.8206 ] ]

[ [ 1.22976, 1.17013, 14.6043 ], [ -0.00206, 1.04663, 4.02804 ], [ 1.31309, 1.1057, 10.932 ], [ 2.73272, 1.72526, 12.8105 ], [ 1.45223, 0.76171, 1.94748 ], [ 1.537, 1.36172, 6.18305 ], [ 2.98652, 1.45669, 8.88973 ] ]

[ true, true, true ]

Co4Nb3

A4B3

[ "Co", "Nb" ]

[ 0.5714285714285714, 0.42857142857142855 ]

[ 27, 27, 27, 27, 41, 41, 41 ]

7

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_151" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5247217780919284128411348

5247217780919284128411348039076971366456238309209749681258932955246192775867565179265275108802602799509598322291943772196009554612896424479351220301727987

2025-04-16T21:27:46

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.549061

[ [ 0.230869, -0.131913, -0.671758 ], [ -0.19147, 0.108282, 0.356308 ], [ 0.349869, -0.202068, -0.125497 ], [ -0.299438, 0.173973, 0.167061 ], [ -0.079819, 0.043874, 0.792933 ], [ 0.010242, -0.007271, 0.227793 ], [ -0.030912, 0.019928, -0.049588 ], [ 0.010657, -0.004804, -0.697253 ] ]

[ [ 0.0012574144285004412, 0.0019666995255658145, 0.0001988544807506406 ], [ 0.0019666995255658145, 0.0035620292581415754, -0.00001785071610002612 ], [ 0.0001988544807506406, -0.00001785071610002612, -0.0028394497466380703 ] ]

true

null

0.798147

0.466769

null

CO_1110668370462356415866983

11106683704623564158669837761467232964462473499692632868128765459231398724714733238190618007662675560376183973683932758803981089741117963971760051227057910

2292506078937073035022854111467562942815972047949411878999368157955424522423853380826159180963093611458712942964747112237417999192436572522960500117576331

[ [ 2.54105, 0.274526, -0.229792 ], [ -1.03282, 2.33807, 0.230416 ], [ 1.24717, -0.720131, 16.3168 ] ]

[ [ 0.51022, 1.4468, 16.1429 ], [ 2.22922, 0.45505, 10.2852 ], [ 0.12803, 1.66781, 12.4697 ], [ 2.53694, 0.2766, 14.0098 ], [ 1.37807, 0.94647, 1.6698 ], [ -0.17079, 1.84068, 4.30645 ], [ 1.82046, 0.69012, 6.26353 ], [ 0.23486, 1.6059, 8.66421 ] ]

[ true, true, true ]

Co4NbV3

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.125, 0.375 ]

[ 27, 27, 27, 27, 41, 23, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_141" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1035473856354346390344042

10354738563543463903440425945125533316211955750952570136527897286239524396692228246493681568659008658582732073036360928340420933943788950087138344133045498

2025-04-16T18:09:42

DS_sn623uhg2d1b_0

1

VASP

DFT

-58.278001

[ [ -0.000001, 0.000002, 0.521622 ], [ 0.000001, -0.000011, 0.024807 ], [ -0.000001, 0.000009, 0.355734 ], [ 0.000001, -0.000009, -0.000032 ], [ -0.000001, 0.00001, -0.355652 ], [ 0.000001, -0.000011, -0.024894 ], [ 0, 0.000002, -0.521897 ], [ 0, 0.000008, 0.000311 ] ]

[ [ -0.032621996427523954, -1.2483018251766518e-7, 0 ], [ -1.2483018251766518e-7, -0.0326226829935278, 0 ], [ 0, 0, -0.021134186805879526 ] ]

true

null

0.521897

0.225619

null

CO_5554919056521962871812250

5554919056521962871812250579099733285502353412815856842705399683422338422906273602796438877569756416562603398403194837913762225263491846115105180363762545

3352094956299717166452136945040954012770200935414525274437365930686332775346323788762507251969520043328369477419875748478528633991079173802790037328965126

[ [ 2.53294, 0, 0 ], [ -1.26647, 2.19359, 0 ], [ 0, 0, 16.3528 ] ]

[ [ 1.26647, 0.7312, 2.23215 ], [ 0, 1.4624, 4.17915 ], [ 1.26647, 0.7312, 6.14844 ], [ 0, 1.4624, 8.17642 ], [ 1.26647, 0.7312, 10.2044 ], [ 0, 1.4624, 12.1737 ], [ 1.26647, 0.7312, 14.1207 ], [ 0, 0, 0 ] ]

[ true, true, true ]

Co7Nb

A7B

[ "Co", "Nb" ]

[ 0.875, 0.125 ]

[ 27, 27, 27, 27, 27, 27, 27, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_59" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5269485951108298567331588

5269485951108298567331588242721951836277845578784911409220943807247343364711713234533375205401537291865790634342855900490773875632633305697743316650781564

2025-04-16T20:10:51

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.503008

[ [ -0.274541, -0.221864, 1.286358 ], [ 0.199522, 0.242079, -0.353683 ], [ 0.150163, -0.023108, -0.107121 ], [ 0.055943, -0.713933, -0.476808 ], [ -0.377241, 0.476662, 0.10284 ], [ -0.073885, 0.212698, -0.209809 ], [ 0.069915, 0.278762, -0.607268 ], [ 0.250124, -0.251296, 0.365491 ] ]

[ [ -0.012574830851008259, 0.004731313577784545, 0.0010051950447234987 ], [ 0.004731313577784545, -0.020944382513361413, -0.001420754722324806 ], [ 0.0010051950447234987, -0.001420754722324806, -0.028960664759189576 ] ]

true

null

1.333909

0.61978

null

CO_7838893325967039699634638

7838893325967039699634638612627398811020969666896774733762643304371203638109484578548715778681977931231648808237266261718317125879444898801807009095479807

7506572038067477256560383224938857514995808118661548354368005328321654000676790399184272061814395493472669779527206177526760299271094191285501359032753463

[ [ 2.65833, -0.125141, 0.137455 ], [ -1.91928, 2.65339, -0.140554 ], [ 1.17459, -0.674238, 15.4741 ] ]

[ [ -0.24212, 1.92264, 3.92611 ], [ 0.36659, 2.24399, 6.19207 ], [ 2.05354, -0.16397, 9.77628 ], [ 2.13992, 0.17237, 13.1669 ], [ 1.17659, 1.26826, 15.0816 ], [ 0.84451, 0.55124, 2.07992 ], [ 1.18727, 0.99706, 7.99131 ], [ 1.08508, 1.35146, 11.4051 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_242" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5292039769927491329141352

529203976992749132914135211666941104618682030678822717684911293901920092621559618716096755564162247681726561046804339214797860757132149607412154323629288

2025-04-16T16:51:35

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.246185

[ [ -0.045868, -0.237841, 0.352981 ], [ 0.045472, 0.239886, -0.347262 ], [ -0.008966, 0.011356, -0.254001 ], [ 0.008962, -0.011587, 0.253746 ], [ -0.00174, 0.037968, -0.006848 ], [ -0.188334, 0.06488, 0.237446 ], [ 0.002123, -0.039384, 0.001546 ], [ 0.18835, -0.065278, -0.237609 ] ]

[ [ -0.017914067417653834, 0.005382615055070462, 0.0028137971441306903 ], [ 0.005382615055070462, 0.00807464035615517, -0.008179248049104974 ], [ 0.0028137971441306903, -0.008179248049104974, 0.002166240572320302 ] ]

true

null

0.428098

0.25742

null

CO_9861837039606765326746021

9861837039606765326746021664546263515385958805865698930698281677174520400058856717873339533382199844316483827561510065345348579776991748625105842527493396

5245604250608303005256020894303971567579877314003860507795795392241672785692223302484795048203531067439552214291710790754358991797287582110535000747579993

[ [ 2.97787, 0.058506, 0.098668 ], [ 1.26302, -2.27628, 8.34219 ], [ 0.012807, -4.07336, 0.114157 ] ]

[ [ 1.29512, -5.67314, 8.27992 ], [ 2.85095, -3.46806, 4.46889 ], [ 1.33528, -3.54333, 6.43298 ], [ 2.8108, -5.59777, 6.31601 ], [ 1.44158, -3.43403, 2.20394 ], [ 2.79822, -3.66217, 8.19661 ], [ 2.924, -1.36481, 2.19533 ], [ 1.33507, -1.40564, 4.43827 ] ]

[ true, true, true ]

Co4NbV3

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.125, 0.375 ]

[ 27, 27, 27, 27, 41, 23, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_181" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1091369523914045710248587

10913695239140457102485870767858345590583583444342795842362132184791627852273827645652387024126158884346773751293966240156220680510883748659446554073774695

2025-04-16T20:33:21

DS_sn623uhg2d1b_0

1

VASP

DFT

-31.842785

[ [ 0, 0.000001, 0.000005 ], [ 0, -0.000007, 0.000029 ], [ 0, 0.000003, 0.000014 ], [ 0, 0.000003, -0.000048 ] ]

[ [ 0.004327675182613675, -6.241509125883259e-8, 0 ], [ -6.241509125883259e-8, 0.004327363107157381, 0 ], [ 0, 0, 0.012798526538079913 ] ]

true

null

0.000048

0.000024

null

CO_7924382024646598085818590

7924382024646598085818590103745706546368834713955469673894448556975343382509517718888146526361662305137401281717044071802301922261825788092796832021870009

[ [ 2.56622, 0, 0 ], [ -1.28311, 2.22241, 0 ], [ 0, 0, 8.38125 ] ]

[ [ 0, 0, 0 ], [ 0, 1.48161, 4.19062 ], [ 1.28311, 0.7408, 2.09531 ], [ 1.28311, 0.7408, 6.28594 ] ]

[ true, true, true ]

Co2V2

CoV

AB

[ "Co", "V" ]

[ 0.5, 0.5 ]

[ 27, 27, 23, 23 ]

4

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_123" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1035681749184168701115345

10356817491841687011153458164269109138701237112208758618967351230801238821906250730797584023113670712965808529736201811747530652106472115607150382753838501

2025-04-17T18:26:41

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.483012

[ [ 0.000363, -0.000019, 0.000363 ], [ 0.000547, -2.221944, -0.000547 ], [ -0.000547, 2.221916, 0.000547 ], [ -0.000363, -0.000019, -0.000363 ], [ 0, -0.000028, 0 ], [ 0, -0.000028, 0 ], [ -0.000383, 3.620583, 0.000383 ], [ 0.000383, -3.620461, -0.000383 ] ]

[ [ -0.013999642554264887, 0.00002590226287241552, 0.000021158715936744242 ], [ 0.00002590226287241552, -0.028292698452537547, -0.00002590226287241552 ], [ 0.000021158715936744242, -0.00002590226287241552, -0.013999642554264887 ] ]

true

null

3.620583

1.460748

null

CO_1172089456210868499097593

11720894562108684990975935693322372501613318973115389857368389282419309169673124149699671849009583979176059610819647835698652345374656902973311223809480246

7034004154668390092990276567324591651365460760661477460145084044127248012577002902852063650725618442598936269792077677166574633653033157641119689493270126

[ [ 0, 0, 3.74444 ], [ -1.87222, 7.48887, 1.87222 ], [ -3.74444, 0, 0 ] ]

[ [ -3.74444, 3.74444, 3.74444 ], [ -3.74444, 5.61665, 1.87222 ], [ -1.87222, 1.87222, 3.74444 ], [ -1.87222, 3.74444, 1.87222 ], [ 0, 0, 0 ], [ -1.87222, 0, 1.87222 ], [ -3.74444, 1.87222, 1.87222 ], [ -1.87222, 5.61665, 3.74444 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_117" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5350735418237083012674999

5350735418237083012674999312864003466254627439498340310035950598592047262595388044410815380703300376864201862024585272810626130240477229840510355397613964

2025-04-16T21:12:08

DS_sn623uhg2d1b_0

1

VASP

DFT

-62.996707

[ [ 0.000929, 0.119462, 0 ], [ 0.149133, -0.170891, 0.000002 ], [ -0.150848, -0.168661, 0 ], [ 0.000266, 0.095485, -0.060988 ], [ 0.000269, 0.095487, 0.060988 ], [ -0.004591, -0.623215, -0.000001 ], [ 0.002421, 0.326167, -0.000311 ], [ 0.002421, 0.326167, 0.000311 ] ]

[ [ -0.005025663148161199, -0.00003632558311264056, 0 ], [ -0.00003632558311264056, -0.015532806855946853, 0 ], [ 0, 0, -0.01767576659922761 ] ]

true

null

0.623232

0.259343

null

CO_5671220403925888482186790

5671220403925888482186790473569037580887556523995108236875401354203728321247617049271982857242578791866627341207397243029772054753762271097171364159163731

4213477946077006292627056873152865893994639583665281928652370681378357295666101928013930498207236589664993981371771974056727638210191100193938092274738223

[ [ 2.58287, -0.018949, 4.15078 ], [ -2.55013, 4.41687, 0 ], [ -2.58287, 0.018949, 4.15078 ] ]

[ [ -2.55057, 4.35646, 4.15078 ], [ -1.31652, 2.19505, 4.15078 ], [ -3.81667, 2.21339, 4.15078 ], [ -2.56104, 2.95214, 2.15161 ], [ -2.56104, 2.95214, 6.14995 ], [ 0.03205, 4.30518, 4.15078 ], [ -1.28532, 0.83147, 6.22617 ], [ -1.28532, 0.83147, 2.07539 ] ]

[ true, true, true ]

Co5NbV2

A5B2C

[ "Co", "Nb", "V" ]

[ 0.625, 0.125, 0.25 ]

[ 27, 27, 27, 27, 27, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_158" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1038076376143298632452653

10380763761432986324526534117713488180212496358605412898900891191382715873568167989329150837223214887893030427267478058083734415512278368000646603997900845

2025-04-16T21:43:25

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.062222

[ [ -0.58233, -0.602167, -0.630525 ], [ -0.582336, -0.602166, 0.630516 ], [ 0.582256, -0.601598, 0.630584 ], [ 0.582257, -0.601597, -0.630506 ], [ -1.567264, 1.007241, -0.000023 ], [ 1.567057, 1.013447, -0.000003 ], [ 0.231719, 0.191333, -0.000026 ], [ -0.231359, 0.195508, -0.000019 ] ]

[ [ -0.009990221921980002, 0.0000024966036503533032, -6.241509125883259e-8 ], [ 0.0000024966036503533032, 0.008312441853851323, 1.2483018251766518e-7 ], [ -6.241509125883259e-8, 1.2483018251766518e-7, 0.0017448762912319234 ] ]

true

null

1.866211

1.065722

null

CO_6838856935292967303889888

6838856935292967303889888373519205412640736004905282491745511197393058489365216712185688090341540010645240861950525015214404028691059156470190641527789773

4726306947289738823139480279770902885489545609325740030247263346162546292049533956077690499104253124612782317178579662480511453141385892484960453986643229

[ [ -0.000004, 5.43304, 0 ], [ -2.6644, 0.000005, 3.64861 ], [ 2.6644, -0.000005, 3.64861 ] ]

[ [ 0.80227, 1.20341, 2.01066 ], [ 0.80227, 1.20341, 5.28656 ], [ 0.52991, 3.91991, 5.28655 ], [ 0.52991, 3.91991, 2.01066 ], [ 2.44071, 5.09575, 3.64861 ], [ -1.1085, 2.37885, 3.64861 ], [ -0.39437, 5.17484, 3.64861 ], [ 1.72657, 2.45806, 3.64861 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_350" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5427891208752975218433406

5427891208752975218433406463440854383440509479133015633962487980443222398891943867238164465037750045015888936211805764155905471918134292066534947250760415

2025-04-16T17:48:31

DS_sn623uhg2d1b_0

1

VASP

DFT

-24.313594

[ [ -0.146098, 0.141381, 0.002301 ], [ 0.146128, -0.141406, -0.002281 ], [ -0.000029, 0.000026, -0.00002 ] ]

[ [ -0.006695953405338818, 0.00032574436127984723, 0.000293413344007772 ], [ 0.00032574436127984723, -0.0063147220279298685, 0.00009749237254629649 ], [ 0.000293413344007772, 0.00009749237254629649, 0.0015659946396841095 ] ]

true

null

0.203357

0.135573

null

CO_9482501732636199172873913

9482501732636199172873913721337340989937440912188287768877249446274975867872852578383328311248366120468066120918590685630553078015318483604341638667613041

11670046394609804540468196109189978927651206987175904196367689687844890793945751184267690472699849969448087803657621946105065326650669035572948480591987668

[ [ 1.86398, 1.88869, 0.008235 ], [ -1.85575, 3.7115, 1.85575 ], [ 0.006423, -0.012845, 3.67939 ] ]

[ [ -0.04082, 1.90787, 1.84799 ], [ 0.05548, 3.67947, 3.69538 ], [ -1.85574, 3.7115, 1.85575 ] ]

[ true, true, true ]

Co2Nb

A2B

[ "Co", "Nb" ]

[ 0.6666666666666666, 0.3333333333333333 ]

[ 27, 27, 41 ]

3

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_111" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5439499135870337580543232

5439499135870337580543232652577150314605637369822766706794542489538997952073435081605312351988136743233917416750584649924954499638267833011383787134762378

2025-04-17T17:56:16

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.695869

[ [ -0.000025, 0.000025, -0.000012 ], [ 0.301239, -0.301239, -0.426191 ], [ 0.000003, -0.000003, 0.00004 ], [ -0.301187, 0.301187, 0.426203 ], [ 0.000107, -0.000107, 0.000098 ], [ 1.120211, -1.120211, -1.728786 ], [ -1.120263, 1.120263, 1.728736 ], [ -0.000085, 0.000085, -0.000088 ] ]

[ [ -0.01771783437073606, -0.00974393197187265, -0.0010066930069137106 ], [ -0.00974393197187265, -0.01771783437073606, 0.0010066930069137106 ], [ -0.0010066930069137106, 0.0010066930069137106, -0.009674713635666602 ] ]

true

null

2.344889

0.736917

null

CO_6585881639173826739035132

6585881639173826739035132448705729632004501785491748837578916816546855754399892603278038053327322772309625401214369356265454605485115535219807349783984621

5776586361636578509471523446158171525010781273514375283656387425286718354451121198503647808082620384659069619467488684946350512761125145644085479058155514

[ [ 2.03483, 2.03483, 0 ], [ -5.80229, 5.80229, 3.68375 ], [ 2.05985, -2.05985, 2.88289 ] ]

[ [ -1.87122, 1.87122, 3.28332 ], [ -0.07083, 0.07083, 3.0057 ], [ 0.17612, 1.85871, 4.72476 ], [ -3.67162, 3.67162, 3.56093 ], [ 2.05984, -2.05984, 2.88288 ], [ -0.2245, 2.25933, 1.81709 ], [ -1.48311, 3.51794, 4.74955 ], [ -3.75495, 5.78978, 5.12519 ] ]

[ true, true, true ]

Co4NbV3

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.125, 0.375 ]

[ 27, 27, 27, 27, 41, 23, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_64" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5496510815786497553557210

5496510815786497553557210023084471268313511501023515048358630513657981840948080675325051507219502988502851680279773244659343753680432802076540299520532019

2025-04-16T17:47:31

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.763188

[ [ -0.021968, -0.075776, 0.007413 ], [ 0.021991, 0.075744, -0.007388 ], [ 0.047619, 0.153795, 0.068228 ], [ -0.047693, -0.153795, -0.068223 ], [ 0.164056, -0.019124, -0.277267 ], [ -0.164038, 0.019138, 0.277294 ], [ -0.049017, 0.016768, -0.390522 ], [ 0.049049, -0.01675, 0.390466 ] ]

[ [ -0.00862807497034724, 0.011222108578155579, -0.0000994272403753203 ], [ 0.011222108578155579, -0.007029374822843502, 0.0034265260950186497 ], [ -0.0000994272403753203, 0.0034265260950186497, 0.008911564314844855 ] ]

true

null

0.393943

0.242689

null

CO_4650135519585387976719653

4650135519585387976719653449412311831123605343020610522266938313495129479464722093913174600909519128133295545920095111185173539121527595898137837491360598

4778273696277340045417049961254712524789558910818344885156260538511197396206415561064056689377605993573840544714855356649574304035034226220998458750200039

[ [ 1.94455, 3.86906, 1.88215 ], [ -3.65538, 3.54432, -0.008902 ], [ -1.88606, -1.8646, 3.7215 ] ]

[ [ 0.22761, 2.10085, 1.79806 ], [ -0.09609, 3.63342, 3.81294 ], [ -1.54565, 3.95699, 1.79776 ], [ -1.9782, 5.3216, 3.80434 ], [ -3.63429, 3.53397, 0.29982 ], [ -1.83412, 1.87556, 3.42013 ], [ -1.84343, 1.7331, 0.29377 ], [ -3.62498, 3.67643, 3.42619 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_50" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5520971084552169416832009

5520971084552169416832009687293815820500569324188278954149524278679467251939528794481587474289399185378108937998479158425100763048277494519931636796043412

2025-04-16T18:01:59

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.20892

[ [ -0.006938, 0.517522, 0.18131 ], [ -0.28985, -0.430678, -0.046 ], [ -0.478436, 0.490322, 0.089798 ], [ 0.264397, -0.554708, 0.069606 ], [ -0.039193, 0.01138, -0.058107 ], [ 0.021202, 0.021962, -0.086364 ], [ 0.294481, -0.141274, -0.157895 ], [ 0.234337, 0.085474, 0.007651 ] ]

[ [ -0.01029449549186681, -0.0002592098739979317, 0.00037149462317257153 ], [ -0.0002592098739979317, 0.008033071905376788, -0.005217776799055886 ], [ 0.00037149462317257153, -0.005217776799055886, -0.008116146391842294 ] ]

true

null

0.690927

0.394233

null

CO_1105746995723807571538513

11057469957238075715385133090308198238410452447455885237025219732809206630185162666236281945139482173692883205743597198901689840736873982954158937562165946

6763744425220512221245015291487644185549885811908120887087374044355282446588742785181922571473986168089298430399703402903583902423162431029210601810275941

[ [ 2.80301, -0.135258, -0.02976 ], [ -1.35403, 2.21135, -0.420995 ], [ 1.30323, -0.753943, 17.042 ] ]

[ [ 1.10238, -0.39325, 16.7411 ], [ 1.64186, 0.32322, 8.59644 ], [ 3.11949, -0.21378, 10.6248 ], [ 2.28182, 0.06484, 14.6332 ], [ -0.0301, 1.45415, 3.9601 ], [ 1.26393, 0.80004, 1.59131 ], [ 2.82834, -0.22259, 6.70638 ], [ 1.49955, 0.49654, 12.5189 ] ]

[ true, true, true ]

Co4NbV3

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.125, 0.375 ]

[ 27, 27, 27, 27, 41, 23, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_334" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1049509940084534812677600

10495099400845348126776007079645713298219189449657411669308001520198181954041438787863243799717650400964499402463325020776051164833962191125464223635070318

2025-04-16T18:41:17

DS_sn623uhg2d1b_0

1

VASP

DFT

-59.318355

[ [ 0, 0, 0.291331 ], [ -0.000001, 0, -0.224193 ], [ -0.000001, 0, -0.183704 ], [ 0, 0.000001, 0.183933 ], [ 0, 0, 0.223944 ], [ -0.000001, 0.000001, -0.291562 ], [ 0.000002, -0.000002, -2.693182 ], [ 0.000001, 0.000001, 2.693433 ] ]

[ [ -0.014118605718204223, 0, 0 ], [ 0, -0.014118543303112964, 0 ], [ 0, 0, -0.012976409548167587 ] ]

true

null

2.693433

0.84816

null

CO_3689400238013949317768870

3689400238013949317768870961654926085737164902964339824081218457452654193392305110758362710466612786576657585853726177710919626082473768165782792404751927

4536780998378158425800450963903699134147573760911494685425727496461575129742914520250546124782066363332762188867716940452803804980760038135001525401080798

[ [ 2.51324, 0, 0 ], [ -1.25662, 2.17653, 0 ], [ 0, 0, 16.4164 ] ]

[ [ 0, 0, 4.1041 ], [ 0, 0, 8.2082 ], [ 0, 0, 12.3123 ], [ 1.25662, 0.72551, 6.15616 ], [ 1.25662, 0.72551, 10.2603 ], [ 1.25662, 0.72551, 14.3644 ], [ 0, 0, 0 ], [ 1.25662, 0.72551, 2.05205 ] ]

[ true, true, true ]

Co6V2

Co3V

A3B

[ "Co", "V" ]

[ 0.75, 0.25 ]

[ 27, 27, 27, 27, 27, 27, 23, 23 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_74" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1105832221374333799733413

11058322213743337997334137551957056280806592327547144657170587967870132395082482987982976940139837181297790630290197936028919520965005461549521809654450540

2025-04-16T19:49:39

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.355008

[ [ 0.049117, -0.049137, -0.134319 ], [ -0.119365, 0.119411, 0.001392 ], [ 0.120807, -0.120829, 0.123022 ], [ -0.041342, 0.041343, 0.034504 ], [ -0.323351, 0.323335, 0.202547 ], [ -0.104891, 0.10491, -0.272929 ], [ 0.220479, -0.220495, 0.227667 ], [ 0.198546, -0.198537, -0.181885 ] ]

[ [ 0.003524517788295017, -0.0036447292540595284, 0.0036364904620133625 ], [ -0.0036447292540595284, 0.003524018467564946, -0.0036364904620133625 ], [ 0.0036364904620133625, -0.0036364904620133625, 0.009082706495076575 ] ]

true

null

0.500127

0.266237

null

CO_5628576860271745879945187

5628576860271745879945187011344100240255306290911632007416615078023703890043311891158619863047445111068149001059378389675132546665289005904665739421806236

4147801311274776026282608409055456546657041938372787642627856942368280344698809516747324748213559261748812301223990018293066390835485614780145219688264704

[ [ 1.90098, 1.90098, 0 ], [ -4.38209, 4.38209, 3.38321 ], [ 4.29273, -4.29273, 3.31088 ] ]

[ [ 1.76777, 0.13321, 1.96011 ], [ 1.59192, 2.21003, 3.4108 ], [ 0.02964, 1.87134, 5.28052 ], [ 2.17554, -2.17554, 2.9232 ], [ -0.15745, 2.05843, 1.45417 ], [ -0.29554, 4.09749, 3.77331 ], [ 1.98368, -0.0827, 4.59235 ], [ -4.1865, 4.1865, 3.41805 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_97" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1108034768829578191884412

11080347688295781918844120497767215603161230650818506131720943289751232325880805172253692743046795348982482673973689222976560457093588069025701710812689416

2025-04-16T15:44:18

DS_sn623uhg2d1b_0

1

VASP

DFT

-45.732794

[ [ -0.03294, -0.000249, 0 ], [ -0.006543, -0.484354, 0 ], [ 0.006414, 0.484254, 0 ], [ 0.032954, 0.000448, 0 ], [ -0.011373, 0.380955, 0 ], [ 0.011487, -0.381054, 0 ] ]

[ [ -0.00036787454787955923, -0.001377501064082435, 0 ], [ -0.001377501064082435, -0.017569660944087597, 0 ], [ 0, 0, -0.007847699084338055 ] ]

true

null

0.484398

0.299491

null

CO_1211451159456131590129702

12114511594561315901297022945666713663411193075296100806766723768398639204971345625079293349511471181348467800463840736016121192585377973487650304647524589

4032128572244612806681718441820507532945537806383009120001105004761986749236319092190398591819643780284367295829938500337543285694447382058588726973788643

[ [ 2.53079, -0.010082, 0 ], [ 1.26154, 6.56088, 0 ], [ 0, 0, 4.08578 ] ]

[ [ 1.26577, 2.19034, 0 ], [ 2.5277, 4.31848, 0 ], [ 2.52961, 2.95681, 2.04289 ], [ 1.26074, 5.09504, 2.04289 ], [ 1.26276, 6.4041, 0 ], [ 1.26375, 0.88128, 2.04289 ] ]

[ true, true, true ]

Co4V2

Co2V

A2B

[ "Co", "V" ]

[ 0.6666666666666666, 0.3333333333333333 ]

[ 27, 27, 27, 27, 23, 23 ]

6

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_70" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1109185514269867647503905

11091855142698676475039052485401453949380205479229902091841487677721030771824359639400740452987128532702948060642235728205100226556804246410989171562457738

2025-04-16T17:06:23

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.000631

[ [ -0.319748, 0.033245, -0.000001 ], [ -0.108772, 0.458684, 0.000003 ], [ 0.11268, -0.144798, -0.245599 ], [ 0.11268, -0.144799, 0.245598 ], [ 0.318656, 0.076471, 0 ], [ -0.059046, 0.019221, 0.035735 ], [ -0.059045, 0.019222, -0.035737 ], [ 0.002594, -0.317247, 0 ] ]

[ [ 0.010564253516287484, -0.001494217284736452, 0 ], [ -0.001494217284736452, -0.002713683337751523, 0 ], [ 0, 0, -0.009061298118774796 ] ]

true

null

0.471405

0.274282

null

CO_1164218265097070010562739

11642182650970700105627393711847987122698425424939036129630362857677541807421864444821177244874829305657866120831565415856467986034725755453692587561799589

6328708873731045095325413389813722045692983698679167508466361428381580341036522259156055003116314263835810934044008789146009622715238160865318954344902649

[ [ 2.72586, -0.025309, 4.41444 ], [ -2.62744, 4.58284, 0 ], [ -2.72586, 0.025309, 4.41444 ] ]

[ [ -2.44358, 4.57073, 4.41444 ], [ 1.43173, 2.20761, 4.41444 ], [ -1.40224, 0.80188, 6.74676 ], [ -1.40224, 0.80188, 2.08212 ], [ -1.11989, 2.07126, 4.41444 ], [ -2.76534, 3.13501, 2.40553 ], [ -2.76534, 3.13501, 6.42335 ], [ 2.65021, 0.06351, 4.41444 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_285" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5646635117127454234644093

5646635117127454234644093536502857267751260767078750698923426169485041620710138478995519066090277394920302652189102445714153444288566901542351681887497757

2025-04-16T21:29:37

DS_sn623uhg2d1b_0

1

VASP

DFT

-62.453302

[ [ 0.302411, -0.174613, -0.000026 ], [ -0.000002, 0.349204, -0.000026 ], [ -0.302412, -0.17461, -0.000026 ], [ 0.864382, 0.499089, 0.000035 ], [ -0.000006, -0.998099, 0.000035 ], [ -0.864386, 0.499085, 0.000035 ], [ 0.000007, -0.000004, -0.000036 ], [ 0.000005, -0.000051, 0.000007 ] ]

[ [ 0.012245840904982952, 0, 0 ], [ 0, 0.012248524753907081, 0 ], [ 0, 0, 0.025749845219561453 ] ]

true

null

0.998123

0.505255

null

CO_5250392828686009026596525

5250392828686009026596525601775607377949998760233051780949624159484160740888879740380229148813158688130690720258172563040237415125596308234335784254360576

2372206042397149827222551807146989844905371134686484014624037192051004842917825478480824269840716677381298897388118436128016353661035239028311501517109075

[ [ 0, 0, 4.17449 ], [ 2.55634, -4.42772, 0 ], [ 2.55634, 4.42772, 0 ] ]

[ [ 1.27817, 2.21386, 0 ], [ 2.55634, 0, 0 ], [ 1.27817, -2.21386, 0 ], [ 1.27817, 0.73795, 2.08724 ], [ 2.55634, 2.95181, 2.08724 ], [ 3.83451, 0.73795, 2.08724 ], [ 0, 0, 0 ], [ 2.55634, -1.4759, 2.08724 ] ]

[ true, true, true ]

Co6NbV

A6BC

[ "Co", "Nb", "V" ]

[ 0.75, 0.125, 0.125 ]

[ 27, 27, 27, 27, 27, 27, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_248" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5672540798308288836393090

5672540798308288836393090619416145016292162638428155414060435332643638226618003316345425625489182437628491717918564533904226519674895283847443828657146139

2025-04-16T16:06:34

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.291459

[ [ -0.075628, 0.060136, 0.646905 ], [ 0.075296, -0.065259, -0.646792 ], [ -0.045882, -0.142374, -0.013941 ], [ 0.043402, 0.153021, 0.012164 ], [ 0.014686, 0.055432, -0.029704 ], [ -0.013154, -0.039868, 0.029555 ], [ 0.111077, -0.257093, 0.335992 ], [ -0.109796, 0.236007, -0.33418 ] ]

[ [ -0.00020934021608212447, -0.005482853691632148, 0.0008294341477386262 ], [ -0.005482853691632148, 0.0005042515222801084, 0.0017371992350070874 ], [ 0.0008294341477386262, 0.0017371992350070874, -0.026173081953387595 ] ]

true

null

0.654422

0.324398

null

CO_1304821843776642661687015

13048218437766426616870155332760715811998256753228124611255706591904201380344312455734007818509765491710351219584026273894544304621523804632358303613044465

9905418024711797955801102943757613109430499421981558833260206194413528078001415225773572741205800549036651957677990436125159291867384695893658230536836698

[ [ 3.69593, -0.045342, 0.395261 ], [ 1.07644, -1.9899, 7.43926 ], [ 0.018429, -3.80853, -0.024232 ] ]

[ [ 2.9544, -3.2965, 7.40202 ], [ 1.44002, -1.30921, 4.04344 ], [ 1.28518, -3.19776, 5.62265 ], [ 3.12785, -5.2172, 5.79842 ], [ 1.66722, -3.21501, 1.99546 ], [ 3.50769, -1.32958, 2.19598 ], [ 1.10749, -5.10036, 7.03801 ], [ 3.30487, -3.31146, 4.38278 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_346" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5677195549097983022584792

5677195549097983022584792497430376352447589696971278622925568632791863271274629917966909335710648729374647417739340796727204224750087888908497431716140347

2025-04-16T20:58:52

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.266693

[ [ -0.000008, 0.000307, 0.000008 ], [ 0.267523, 0, -0.268738 ], [ -0.267525, 0, 0.26874 ], [ -0.000004, -0.000307, 0.000004 ], [ 0.000018, 0, -0.000018 ], [ 3.147954, 0, -3.149483 ], [ 0.000007, 0, -0.000007 ], [ -3.147965, 0, 3.149494 ] ]

[ [ -0.010415705599091463, 1.8724527377649775e-7, 0.0062473761444615875 ], [ 1.8724527377649775e-7, -0.015605395607080874, 1.8724527377649775e-7 ], [ 0.0062473761444615875, 1.8724527377649775e-7, -0.010399103184816613 ] ]

true

null

4.452976

1.208122

null

CO_2659145366831334687953555

2659145366831334687953555472049532802285648577848548491907354677189595679383735629200582752214778822040993150254822594096001672200673907792994066848494391

6277626438338759592793652985393901273215651368337998902773986841746626634467005665612848597784740720968697390157378259156150033389834823902660648010800806

[ [ 1.9265, 3.853, 1.9265 ], [ -1.9265, 3.853, -1.9265 ], [ -5.7795, 0, 1.9265 ] ]

[ [ 0, 0, 0 ], [ -1.9265, 5.7795, 0 ], [ -3.853, 5.7795, 1.9265 ], [ 0, 3.853, 0 ], [ -3.853, 3.853, 0 ], [ -1.9265, 1.9265, 0 ], [ -1.9265, 3.853, 1.9265 ], [ -3.853, 1.9265, 1.9265 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_173" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5659018949375892700802026

5659018949375892700802026453478595902486457791387887252333354316090342445318717505383330242782158628016688429957277769307530899612931375881082741496748756

2025-04-16T21:09:01

DS_sn623uhg2d1b_0

1

VASP

DFT

-48.638462

[ [ 0.103147, -0.264833, 0.274265 ], [ -0.186582, -0.028108, 0.117509 ], [ -0.145976, 0.136767, -0.166167 ], [ 0.478615, 0.056051, 0.064353 ], [ -0.360145, -0.171002, -0.363078 ], [ 0.110941, 0.271124, 0.073117 ] ]

[ [ 0.0026414690771650534, -0.0006790761928960984, -0.007352248089925442 ], [ -0.0006790761928960984, 0.002763428165484812, -0.003418911453885072 ], [ -0.007352248089925442, -0.003418911453885072, -0.014978186355020868 ] ]

true

null

0.539233

0.367438

null

CO_8726199398161462999957102

8726199398161462999957102247550411278151722887148443541621658703446764532313370752385161787503571148366516590250897700884698465774877903092364401811112571

255987200036540628387675850787107555058998968439525088165068056637519720053005820399354770174363119282141194522596762421445822911274562613784858492044803

[ [ -1.33195, 2.23889, -0.135489 ], [ -3.88598, -2.31392, -0.305456 ], [ -1.21193, 0.798729, 6.40905 ] ]

[ [ -2.32237, 0.09741, -0.03654 ], [ -3.73023, 0.81592, 1.79986 ], [ -4.14339, -0.91897, 3.76273 ], [ -4.80675, -1.36046, 6.04289 ], [ -1.22238, 0.79976, 2.19141 ], [ -3.04615, 1.23231, 4.16079 ] ]

[ true, true, true ]

Co3NbV2

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ 27, 27, 27, 41, 23, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_65" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1113025589016359915225578

11130255890163599152255785999017440329874738322240123678967943888165443486768500995550636216799012962642364476289738546634855188940777784686781321793331135

2025-04-16T22:03:29

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.492312

[ [ 0.515466, -0.299158, -0.306643 ], [ -0.939091, 0.541249, -0.548878 ], [ 0.811429, -0.464397, 0.626931 ], [ -0.466831, 0.255175, 0.427616 ], [ 0.058711, -0.045888, -0.441672 ], [ -0.170362, 0.113249, 0.550334 ], [ -0.092672, 0.028777, 0.686525 ], [ 0.283349, -0.129008, -0.994212 ] ]

[ [ 0.009195927470620098, -0.00279188944709884, 0.0008959686350205417 ], [ -0.00279188944709884, 0.007877907988507332, -0.0006956161920796891 ], [ 0.0008959686350205417, -0.0006956161920796891, 0.01713156941854185 ] ]

true

null

1.214952

0.807955

null

CO_4022228981982099174833631

4022228981982099174833631810600822082159319942740185452214507564459763679169772169642243924666479384737245246021773060048425322491732123428956288966150245

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[ [ 2.66749, 0.24641, -0.278198 ], [ -1.12705, 2.43905, 0.275589 ], [ 1.33482, -0.770634, 17.4422 ] ]

[ [ 0.32562, 1.60219, 17.6051 ], [ 2.36172, 0.42281, 6.50025 ], [ -0.1091, 1.85355, 8.66286 ], [ 2.64324, 0.26162, 15.3939 ], [ 1.45117, 0.95185, 1.97297 ], [ 0.08528, 1.73609, 4.66237 ], [ 2.03713, 0.61619, 10.5249 ], [ 0.21126, 1.65688, 13.6185 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_333" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5690130009706507408668799

569013000970650740866879941864464346594218965603248442249254935360772429942708056531454736479625847960789276180974315335016052534577885856067884982042355

2025-04-16T21:29:37

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.105351

[ [ 0.637212, -0.366196, -0.46022 ], [ -0.700545, 0.40034, 0.427282 ], [ 0.481011, -0.27942, 0.651387 ], [ -0.123278, 0.070688, -0.067544 ], [ 0.36612, -0.213299, 0.031834 ], [ -0.289583, 0.171884, -0.528946 ], [ -0.372253, 0.216625, -0.033341 ], [ 0.001316, -0.000623, -0.020451 ] ]

[ [ -0.003719564948478869, -0.012155526267931422, 0.004770635085277609 ], [ -0.012155526267931422, -0.01775852901023682, -0.0028926274043905957 ], [ 0.004770635085277609, -0.0028926274043905957, -0.026495955220469537 ] ]

true

null

0.91302

0.537319

null

CO_1306199271421519773883819

130619927142151977388381900716209700858380275405260558110114131808554302358560714339401448361200714619709297495755134834309825705987186966667008296322381

4151855421071538912989865922307305908862915235251127324339603354495534312387240822405066789492701661657800397959888270517924730058386588052493437254112361

[ [ 2.69766, 0.161558, -0.076987 ], [ -1.2087, 2.41681, 0.075817 ], [ 1.31941, -0.761765, 17.2379 ] ]

[ [ 1.26673, 0.98747, 2.53974 ], [ 0.29528, 1.54892, 4.43469 ], [ 0.15303, 1.631, 8.56293 ], [ 2.83861, 0.08027, 10.304 ], [ -1.03993, 2.3196, 0.51307 ], [ 2.44628, 0.30596, 6.449 ], [ 1.23555, 1.00548, 12.5011 ], [ 2.72716, 0.14444, 15.0489 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_34" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1117523840110749835744395

1117523840110749835744395317718705766827810904252964470068103751675287729536056840113432266172853013998366093999859660732343504923664606409147882209992761

2025-04-17T18:16:17

DS_sn623uhg2d1b_0

1

VASP

DFT

-49.038779

[ [ -0.000003, -0.000002, 0.290063 ], [ -0.000008, -0.000001, 0.089787 ], [ 0.000009, 0.000002, -0.147098 ], [ -0.000002, 0.000001, 0.00642 ], [ 0.000002, 0, 0.095466 ], [ 0.000002, -0.000001, -0.334637 ] ]

[ [ 0.0030321251333540866, -6.241509125883259e-8, 1.8724527377649775e-7 ], [ -6.241509125883259e-8, 0.0030321875484453456, 6.241509125883259e-8 ], [ 1.8724527377649775e-7, 6.241509125883259e-8, 0.005798361977945547 ] ]

true

null

0.334637

0.160579

null

CO_4571950235997715883480665

4571950235997715883480665632800002714118472059887260904745815031117604571754974830204727960354450748911204676416675845669565581274498937875052297800278075

11624987073001927252584355980390210099333362248459551684479884795678245022520518379011046469235414445611935911039029877802667994480249703096497432091201178

[ [ 2.70207, 0, 0.000002 ], [ -1.35103, 2.34006, 0.000001 ], [ 0, 0, 13.3068 ] ]

[ [ 0, 0, 13.1162 ], [ 0, 1.56004, 9.25922 ], [ 1.35103, 0.78002, 11.1659 ], [ 0, 1.56004, 4.26969 ], [ 2.70206, 0, 6.98152 ], [ 1.35103, 0.78002, 1.78138 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_308" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1118831258307632168963894

11188312583076321689638943384328897656606380354241180039277660694727115377869546690049433047925795958398450629703800799899773724880733352199393065244879646

2025-04-17T18:26:41

DS_sn623uhg2d1b_0

1

VASP

DFT

-60.361632

[ [ 0.000007, -0.000461, -0.145455 ], [ -0.000006, 0.000191, -0.02721 ], [ -0.000004, -0.000303, 0.090969 ], [ 0.000006, 0.000276, -0.235124 ], [ -0.000008, 0.000119, 0.153342 ], [ 0.000042, -0.001002, 0.138329 ], [ -0.000012, 0.000483, 4.130175 ], [ -0.000025, 0.000697, -4.105026 ] ]

[ [ -0.03305784100978438, -3.744905475529955e-7, 1.2483018251766518e-7 ], [ -3.744905475529955e-7, -0.033150839495760046, 0.000011546791882884028 ], [ 1.2483018251766518e-7, 0.000011546791882884028, -0.04453709976392635 ] ]

true

null

4.130175

1.128204

null

CO_7486266045555401056309312

7486266045555401056309312828194031865131602644279817143490478493276808586503979468323766904365875331233292568620490208439993665598134972715338254043400591

7923352069460389839455930546660421274943069906091472831518228453617861962413743382644662398740595826791774046491513999353839358997335560013364784636456732

[ [ 2.58223, 0, 0 ], [ -1.29111, 2.23628, 0 ], [ 0, -1.49085, 16.867 ] ]

[ [ 1.29111, -0.74542, 8.43352 ], [ 0, 0, 10.5419 ], [ 0, 1.49085, 4.21676 ], [ 1.29111, 0.74543, 12.6503 ], [ 0, 0, 6.32514 ], [ 0, 0, 0 ], [ 1.29111, 0.74542, 2.10838 ], [ 1.29111, -0.74542, 14.7587 ] ]

[ true, true, true ]

Co5NbV2

A5B2C

[ "Co", "Nb", "V" ]

[ 0.625, 0.125, 0.25 ]

[ 27, 27, 27, 27, 27, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_149" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1127554801433169300192257

1127554801433169300192257704810513260188596804504060301991851022907777290460429162138670682229708910151185326524230223203987962070729930659891934585246623

2025-04-16T18:43:26

DS_sn623uhg2d1b_0

1

VASP

DFT

-32.876622

[ [ 0, 0, 1.53564 ], [ 0, 0, -1.535672 ], [ 0, 0, -4.12071 ], [ 0, 0, 4.120743 ] ]

[ [ -0.022696873445726913, 0, 0 ], [ 0, -0.022696873445726913, 0 ], [ 0, 0, -0.03007895594927408 ] ]

true

null

4.120743

2.828191

null

CO_5262266765019178166400647

5262266765019178166400647890164450840723816757445185460428548544435954203846957579431691581038488477768127374453924950647742897693440367189084296728959221

9949117062688781193396495163062492499579329829908708757661716352821220978431019208328629934352663159711430177835935811781489703999681591609589799074676586

[ [ 1.9265, 1.9265, 0 ], [ -1.9265, 1.9265, 0 ], [ 0, 0, 7.70599 ] ]

[ [ 0, 0, 0 ], [ 0, 1.9265, 1.9265 ], [ 0, 0, 3.853 ], [ 0, 1.9265, 5.7795 ] ]

[ true, true, true ]

Co2Nb2

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 41, 41 ]

4

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_3" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1128883257824782387904580

11288832578247823879045807641333518944696619133784790546733491992895637884113023364509702809028585851451817399240371953018612139606664941408330957790420308

2025-04-16T20:04:51

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.424716

[ [ -0.27529, -0.000083, 0.275299 ], [ -1.408523, 0.000001, 1.408512 ], [ 1.409872, 0.000004, -1.409903 ], [ -0.27529, 0.000082, 0.275299 ], [ 0.259169, -0.000002, -0.259153 ], [ 0.245364, 0.000062, -0.245372 ], [ -0.200665, -0.000001, 0.200688 ], [ 0.245363, -0.000064, -0.24537 ] ]

[ [ -0.018519930708503322, 0, 0.031266777551020926 ], [ 0, -0.0261738309344827, 0 ], [ 0.031266777551020926, 0, -0.018520367614142132 ] ]

true

null

1.993882

0.763599

null

CO_7403659195325873552820112

740365919532587355282011290536365727309128234880669228455857700275428397844398114651231467558183113070161796568996784185447601049100466018733060814052944

5110872743593183365437286061361576086212035639179881350592898001979115214823982382012312575665939004078981697252565691006259155395108091617738627701326156

[ [ 1.8614, 2.50505, 1.8614 ], [ -5.21663, 0, 5.21663 ], [ 1.8614, -2.50505, 1.8614 ] ]

[ [ -2.90041, 1.25253, 4.76182 ], [ -3.12858, 0, 6.85139 ], [ -0.9431, 0, 4.66591 ], [ -2.90041, -1.25253, 4.76182 ], [ -5.10475, 0, 5.10476 ], [ -0.45739, 1.25252, 2.3188 ], [ -2.74549, 0, 2.7455 ], [ -0.45739, -1.25252, 2.3188 ] ]

[ true, true, true ]

Co4NbV3

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.125, 0.375 ]

[ 27, 27, 27, 27, 41, 23, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_142" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1134770803806415428251225

11347708038064154282512250965279111828847499509799863359473162716348694827340130341363702755066964423377043579931186613829231148442271202413106997604859146

2025-04-16T22:03:29

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.038404

[ [ -0.047474, 0.059645, -0.17828 ], [ 0.288471, 0.207468, 0.257383 ], [ -0.26859, -0.18451, -0.471046 ], [ 0.016058, 0.16902, -0.0767 ], [ 0.204715, -0.487009, 0.620693 ], [ 0.083798, 0.057515, 0.107302 ], [ -0.152896, 0.033341, 0.024624 ], [ -0.124082, 0.14453, -0.283975 ] ]

[ [ 0.000016415169001072967, 0.006880577245282444, 0.0029436829490403207 ], [ 0.006880577245282444, -0.0184932794645358, -0.003831537622197214 ], [ 0.0029436829490403207, -0.003831537622197214, -0.02191936865391564 ] ]

true

null

0.815074

0.356869

null

CO_9837780083659198676778774

9837780083659198676778774353478339577566568019578069905906344730059929639228840207547755587338355153397901308213513347980520577550471331656256033164494412

9811442008742962170324592915253650884306323038012468330481840325947331376495480184414175387107365743961626270389414081340840895638968595767541220835650729

[ [ 2.83357, -0.143663, 0.378708 ], [ -1.62668, 2.46096, -0.031023 ], [ 1.26116, -0.727114, 16.569 ] ]

[ [ 3.67694, -0.70933, 16.8788 ], [ 2.88126, -0.03765, 6.61304 ], [ -0.2127, 1.54217, 8.23419 ], [ 1.588, 0.64775, 12.5517 ], [ 0.96181, 0.91749, 2.23075 ], [ 2.88915, -0.22044, 10.5835 ], [ 2.67326, -0.04819, 14.7145 ], [ -0.23803, 1.73486, 4.48597 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_104" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5895469157871597962797296

5895469157871597962797296038181538614444146316625667168933448107650363206753360648839924178588497266335872230543835590758637054130351538621001100839100578

2025-04-16T15:44:09

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.584498

[ [ 1.289371, 0.310406, 0.921906 ], [ -1.289327, -0.310403, -0.921851 ], [ 1.289335, 0.310409, 0.921851 ], [ -1.289323, -0.310406, -0.92184 ], [ -0.000004, -0.000015, -0.000001 ], [ -0.000014, 0.000011, -0.000017 ], [ -0.000023, -0.000005, -0.000003 ], [ -0.000015, 0.000004, -0.000044 ] ]

[ [ -0.015523943912988098, -0.027624482485520487, 0.0017664094977162207 ], [ -0.027624482485520487, -0.03170655428403066, 0.030677891164993837 ], [ 0.0017664094977162207, 0.030677891164993837, -0.016349757985433713 ] ]

true

null

1.615159

0.807568

null

CO_3164776382965060423962038

3164776382965060423962038875154847313564791911701323260039964793349021935448382820490832706323661885829270472751124579069078973603548408854298338677087297

4355359445741131210804252950407662031344808490491532569511194767633788176270687708178363841173260474137111719318921043844132068930615109872846632524048917

[ [ 1.24165, 3.88155, 2.03283 ], [ -3.38549, 0.290061, 4.20376 ], [ -0.992405, -4.87555, 4.56023 ] ]

[ [ -1.43309, -2.9207, 6.427 ], [ -1.70315, 2.21676, 4.36982 ], [ -0.93689, -0.48293, 4.14689 ], [ -2.19936, -0.22102, 6.64993 ], [ 0, 0, 0 ], [ -3.88169, -2.14772, 6.48388 ], [ -1.69274, 0.14503, 2.10188 ], [ -0.9473, 1.5888, 6.41483 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_241" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5917537679350191750985835

5917537679350191750985835530059780672023269556608579998257003123965814134427579964109504283585171853912385292165170900625232934462737887926658920426403171

2025-04-16T17:52:43

DS_sn623uhg2d1b_0

1

VASP

DFT

-55.094909

[ [ 0.000634, -0.000373, 1.240236 ], [ 0.000069, -0.00004, 1.397838 ], [ 0.000359, -0.000213, 0.020702 ], [ -0.000207, 0.000122, -1.340064 ], [ -0.001547, 0.00089, 2.398172 ], [ -0.000444, 0.000267, 0.020448 ], [ 0.001135, -0.000652, -3.737332 ] ]

[ [ -0.03342958529332199, -0.000023405659222062216, 0.000007864301498612905 ], [ -0.000023405659222062216, -0.03345604929201573, -0.000004493886570635946 ], [ 0.000007864301498612905, -0.000004493886570635946, -0.018209103554034333 ] ]

true

null

3.737332

1.450686

null

CO_1248673245829717117046113

12486732458297171170461139149327964918039342666681690020734180571316167521630101159484894105728782499136855966191848796990466970567306489427613411744815941

526563140115773332091785658013218741331456922842230829357289398869540185785555315570727870378052583833248231478900592726184600152396254204511247099874674

[ [ 2.64507, 0, 0 ], [ -1.32254, 2.2907, 0 ], [ 1.32254, -0.763566, 15.1178 ] ]

[ [ 0, 0, 0 ], [ 2.64507, 0, 6.47908 ], [ 1.32254, 0.76357, 8.63877 ], [ 0, 1.52713, 10.7985 ], [ 0, 1.52713, 4.31938 ], [ 2.64507, 0, 12.9582 ], [ 1.32254, 0.76357, 2.15969 ] ]

[ true, true, true ]

Co4Nb2V

A4B2C

[ "Co", "Nb", "V" ]

[ 0.5714285714285714, 0.2857142857142857, 0.14285714285714285 ]

[ 27, 27, 27, 27, 41, 41, 23 ]

7

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_295" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1138520433947950291263728

11385204339479502912637286546806993766518648506358470158965715928776661215227069116895136661271988274270857220703553618184546674540789168797342743480248982

2025-04-16T18:16:00

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.98294

[ [ 0, -0.000004, 0 ], [ -0.000312, 1.181806, 0.000312 ], [ 0, -0.000003, 0 ], [ 0.000312, -1.181856, -0.000312 ], [ 0.000131, 3.55148, -0.000131 ], [ -0.000131, -3.551568, 0.000131 ], [ 0.000328, 0.000073, 0.000328 ], [ -0.000328, 0.000072, -0.000328 ] ]

[ [ 0.029367985644744715, -8.73811277623656e-7, 0.000026651243967521515 ], [ -8.73811277623656e-7, -0.03615849791334067, 8.73811277623656e-7 ], [ 0.000026651243967521515, 8.73811277623656e-7, 0.029367985644744715 ] ]

true

null

3.551568

1.183457

null

CO_8256843452227928985295133

8256843452227928985295133990353996046982037208873334684987712685134794604407632102535377468555595435887058652911781897318375769596590421409687527744734293

7986321295480132996668367174846882629821861455279590040227988177316594549052629026265392849262580836950994903573847890595896241194182946715405317693043853

[ [ 0, 0, 3.74444 ], [ -1.87222, 7.48887, 1.87222 ], [ -3.74444, 0, 0 ] ]

[ [ -3.74444, 1.87222, 1.87222 ], [ -1.87222, 0, 1.87222 ], [ -1.87222, 1.87222, 3.74444 ], [ -1.87222, 3.74444, 1.87222 ], [ 0, 0, 0 ], [ -3.74444, 3.74444, 3.74444 ], [ -3.74444, 5.61665, 1.87222 ], [ -1.87222, 5.61665, 3.74444 ] ]

[ true, true, true ]

Co4Nb2V2

Co2NbV

A2BC

[ "Co", "Nb", "V" ]

[ 0.5, 0.25, 0.25 ]

[ 27, 27, 27, 27, 41, 41, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_121" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_5960529985542717072643735

5960529985542717072643735996475700397135752525898674631371562547520758046259454782609675845339419057554912593710965105558132200857192964115223362311733057

2025-04-17T17:35:57

DS_sn623uhg2d1b_0

1

VASP

DFT

-48.7856

[ [ -0.034727, -0.020108, -0.000048 ], [ 0.968227, 0.559092, 0.000076 ], [ -1.113799, 0.794209, 0.02534 ], [ 0.131104, -1.361587, -0.025274 ], [ -0.033853, 0.115546, 0.818045 ], [ 0.083048, -0.087152, -0.818139 ] ]

[ [ -0.020235347076661074, -0.0003406615680907082, 0.004939093416585198 ], [ -0.0003406615680907082, -0.01984044679426644, -0.008555423804121958 ], [ 0.004939093416585198, -0.008555423804121958, -0.03225580708710839 ] ]

true

null

1.368195

0.924717

null

CO_8765902310216262514623568

8765902310216262514623568414360900686489438852819227465305316507499955397112807629244088944315361557889878917695918119048684176796824468593944951058868197

102352149730383258859687271500342112658580555517130947778686339885453800909481562329914673535069888797387449181701496150736741707158986690414650175024199

[ [ -4.08549, 2.39383, 0.162045 ], [ 0.030369, -4.73506, -0.162046 ], [ -1.2279, 2.12678, 3.94187 ] ]

[ [ -1.34813, -2.36254, -0.05401 ], [ -2.34932, -1.52273, 1.91692 ], [ -1.55909, 0.83111, 1.98846 ], [ -4.00122, 0.37855, 2.00742 ], [ -4.07353, 2.36346, 0.48902 ], [ -3.96175, 2.16986, 3.66891 ] ]

[ true, true, true ]

Co4Nb2

Co2Nb

A2B

[ "Co", "Nb" ]

[ 0.6666666666666666, 0.3333333333333333 ]

[ 27, 27, 27, 27, 41, 41 ]

6

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_194" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1142901691523384055125651

11429016915233840551256518223042749916513833302884958421127177988358313613967751760256641664688576849226181867137794011303599272370522543966055293363765858

2025-04-16T18:22:11

DS_sn623uhg2d1b_0

1

VASP

DFT

-67.558522

[ [ 0.386736, 0, 0.386741 ], [ 0.386736, 0, -0.386742 ], [ -0.386773, 0, -0.386736 ], [ -0.38672, 0, 0.386752 ], [ 0.02468, 0, 0.024623 ], [ 0.024676, 0, -0.024644 ], [ -0.024669, 0, 0.024638 ], [ -0.024665, 0, -0.024632 ] ]

[ [ -0.01590280351692921, 0, 3.120754562941629e-7 ], [ 0, 0.021303144457917183, 0 ], [ 3.120754562941629e-7, 0, -0.01590349008293306 ] ]

true

null

0.546953

0.2909

null

CO_2324336712665330447737414

232433671266533044773741471891146152196562760625782033741716228833069873621707517159194894753013419688066924055892162091133681379363947550915776413893829

6179212329266471205473702445541530654245282736518296256305440777484798671445859358919093099141827838171051730435806890616372699261203841620332988588027567

[ [ 0, 3.80998, 0 ], [ -3.85834, 0, 3.85834 ], [ 3.85834, 0, 3.85834 ] ]

[ [ 0.06562, 0, 0.06562 ], [ 0.06562, 1.90499, 1.86356 ], [ 1.86356, 0, 1.86356 ], [ -1.99479, 1.90499, 3.92396 ], [ -0.07936, 0, 3.77899 ], [ -0.07936, 1.90499, 5.86687 ], [ 2.00853, 1.90499, 3.77899 ], [ -1.84981, 0, 2.00853 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_139" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1144605757547665473957357

11446057575476654739573578908893584061310945910600003235291904502076463499926711150612346445046275511094244358250945092474244606530504090273364777571304281

2025-04-17T18:26:41

DS_sn623uhg2d1b_0

1

VASP

DFT

-49.667173

[ [ 0.502211, 0.162604, 0 ], [ 0.760268, -0.526781, 0 ], [ 0.377832, -0.123679, 0 ], [ -0.82203, -0.155704, 0 ], [ -0.677201, 0.482471, 0 ], [ -0.141079, 0.161089, 0 ] ]

[ [ -0.028660760245690888, 0.008606167273315389, 0 ], [ 0.008606167273315389, 0.014026668288779964, 0 ], [ 0, 0, -0.01616600795676771 ] ]

true

null

0.924935

0.622108

null

CO_3683387267845083655690105

3683387267845083655690105041136413156671007557239056688784837383108488903275162744580254829647833111509793108210600825712141001426298281926316666873200138

10152995910813365739653739923732072228427592941664091767843430051988200997093887232466596830216919549331835237034972589102119106363396709856145018287923984

[ [ 3.20795, 0.50072, 0 ], [ 1.35011, 7.03286, 0 ], [ 0, 0, 3.70346 ] ]

[ [ 1.38244, 0.51679, 1.85173 ], [ 3.05591, 3.43974, 1.85173 ], [ 1.37996, 5.33018, 1.85173 ], [ 1.66035, 2.69481, 0 ], [ 3.12844, 5.32533, 0 ], [ 3.2363, 0.77222, 0 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_341" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1148840945530421046775247

11488409455304210467752475315277312437413638732281893289433393087267046116309014948014929290905821421185765765362218172146911562398806515419122668673823948

2025-04-16T18:22:24

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.943972

[ [ 0.000038, -0.000019, 0.000037 ], [ 0.000021, -1.737403, -0.000021 ], [ -0.00002, 1.737619, 0.00002 ], [ -0.000037, -0.000019, -0.000038 ], [ 0.000001, 0.000214, 0 ], [ 0.001244, -4.082583, -0.001244 ], [ 0, 0.000216, -0.000001 ], [ -0.001247, 4.081975, 0.001247 ] ]

[ [ -0.005980988534968891, 0.000034390715283616755, 0.00003145720599445162 ], [ 0.000034390715283616755, -0.036366402582323834, -0.000034390715283616755 ], [ 0.00003145720599445162, -0.000034390715283616755, -0.005980926119877632 ] ]

true

null

4.082583

1.455015

null

CO_7941515713105162328251777

7941515713105162328251777425170840752697242929832848433149504614772324781632338435060288847501386624929330892840475538812367001975911436452214399607742345

4072751971976515926608017102043450031842906028604934636053654668643615562885532861168714607385395208957325057230828550307190697383016624726789872630375139

[ [ 0, 0, 3.853 ], [ -1.9265, 7.70599, 1.9265 ], [ -3.853, 0, 0 ] ]

[ [ 0, 0, 0 ], [ -3.853, 1.9265, 1.9265 ], [ -3.853, 5.7795, 1.9265 ], [ -1.9265, 0, 1.9265 ], [ -3.853, 3.853, 3.853 ], [ -1.9265, 1.9265, 3.853 ], [ -1.9265, 3.853, 1.9265 ], [ -1.9265, 5.7795, 3.853 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_206" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1149564543397436137830554

11495645433974361378305544283254261109164065628026218618108757992464924908156506959660706271681421044740291659566866283579434003127541031635915125135679052

2025-04-16T20:03:00

DS_sn623uhg2d1b_0

1

VASP

DFT

-47.606162

[ [ 0.017178, 0.060669, -0.164332 ], [ 0.815674, 0.041217, -0.223141 ], [ -0.385006, 0.625684, -0.124903 ], [ -0.460373, -0.731148, -0.189913 ], [ -0.000393, -0.079986, 0.891653 ], [ 0.012921, 0.083564, -0.189364 ] ]

[ [ -0.0032442740285428583, 0.00011390754154736945, 0.00046836284480627967 ], [ 0.00011390754154736945, -0.003969849464426788, -0.0008125820730987413 ], [ 0.00046836284480627967, -0.0008125820730987413, 0.0026666847740336222 ] ]

true

null

0.895233

0.625852

null

CO_8186418595018045556622806

8186418595018045556622806959652036614199923083637990170572214270309735277961418379732988730326150382942811226743080074753592244443106618990532102787227589

1228123988748856799465800395976464506696227475510544769666314551872727203372950934479091244766321453875633304991289405987746790366614442474206930401826866

[ [ -4.00011, 2.31576, 0.128737 ], [ 0.003632, -4.61755, -0.127097 ], [ -1.26342, 2.18816, 3.99473 ] ]

[ [ -1.33612, -2.31326, 0.0226 ], [ -2.37976, -1.4142, 1.99804 ], [ -1.58128, 0.83907, 2.044 ], [ -3.91702, 0.41013, 2.06139 ], [ -3.99521, 2.30953, 0.41024 ], [ -3.94044, 2.20045, 3.58339 ] ]

[ true, true, true ]

Co4NbV

A4BC

[ "Co", "Nb", "V" ]

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ 27, 27, 27, 27, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_27" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_6052634871720513894508819

6052634871720513894508819314129423885896831737253195770625377542709021394788467106511333479728729696752700188893418755287323713040871342895359661179656632

2025-04-16T18:33:43

DS_sn623uhg2d1b_0

1

VASP

DFT

-64.166207

[ [ 0.295581, -0.394924, -0.308876 ], [ 0.644838, -0.150201, 0.334332 ], [ -0.354158, 0.184252, -0.493499 ], [ -0.407839, 0.162767, 0.417824 ], [ 0.410719, -0.139544, -0.285675 ], [ -0.210489, 0.102311, 0.112091 ], [ -0.25775, 0.160128, -0.206114 ], [ -0.120901, 0.075211, 0.429917 ] ]

[ [ -0.05157864552956532, 0.008428658753775268, 0.0015838453557841354 ], [ 0.008428658753775268, -0.03995470859388538, -0.006851741473120863 ], [ 0.0015838453557841354, -0.006851741473120863, -0.013081766222212497 ] ]

true

null

0.741724

0.520403

null

CO_1126057755725925479383572

11260577557259254793835723607063354668756426865110406229173171872892710496289684251753820031161252801079924052182345344533462404071077708375406083517901122

11084429143208674377528123364119809105994458356231380368479600540492155545233487409591731613567282573952330355854755409358747202750999766362038068491127729

[ [ 2.49126, 0.588415, -0.16488 ], [ -0.74108, 2.45524, 0.121296 ], [ 1.22825, -0.709273, 16.0529 ] ]

[ [ -0.34231, 2.24679, 0.11469 ], [ 1.38137, 1.20795, 1.59165 ], [ 0.33642, 1.83074, 3.53291 ], [ 1.04427, 1.43609, 12.6487 ], [ 2.4764, 0.57907, 14.2844 ], [ 2.27731, 0.71778, 5.42806 ], [ 0.93169, 1.48903, 8.06885 ], [ 2.65573, 0.49586, 10.3894 ] ]

[ true, true, true ]

Co5Nb3

A5B3

[ "Co", "Nb" ]

[ 0.625, 0.375 ]

[ 27, 27, 27, 27, 27, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_145" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_6067204504777214826756616

6067204504777214826756616785202220051108764529143129068959373296226931197884471126209112515899908599283018825016562387035382989175701569509630433739325329

2025-04-16T18:13:42

DS_sn623uhg2d1b_0

1

VASP

DFT

-6.979686

[ [ 0, 0, 0 ] ]

[ [ -0.006815478305099483, 0, -0.00002234460267066206 ], [ 0, -0.00674501166706826, 0 ], [ -0.00002234460267066206, 0, -0.0066906481225818175 ] ]

true

null

0

null

CO_6321893597678330775796952

6321893597678330775796952143024333192898109624318046267900699013866568976821886470836645849066713077380873876412253271562331784948547401617237961590652130

[ [ 1.71704, 0, 1.71704 ], [ 1.71704, 1.71704, 0 ], [ -1.71704, 1.71704, 0 ] ]

[ [ 0, 0, 0 ] ]

[ true, true, true ]

Co

A

[ "Co" ]

[ 1 ]

[ 27 ]

1

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_42" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1154271268781733895028445

11542712687817338950284456776751780932721334294346869284258859979763368176674090842914215279755970423706434620255851961837993488032606710314535513520364473

2025-04-16T16:09:45

DS_sn623uhg2d1b_0

1

VASP

DFT

-48.833459

[ [ -0.204525, -0.027691, -0.000005 ], [ 0.078829, -0.163319, 0.000008 ], [ 0.381928, -0.096556, 0.000005 ], [ -0.379571, -0.5615, -0.000011 ], [ -0.082645, 0.393531, -0.000008 ], [ 0.205983, 0.455535, 0.000011 ] ]

[ [ -0.02954168684371805, 0.005869952087619428, 0 ], [ 0.005869952087619428, -0.0008015970170371868, 0 ], [ 0, 0, 0.0029451184961392742 ] ]

true

null

0.677758

0.393583

null

CO_1218003588528018139792222

12180035885280181397922228132641389825085067396774997143646232617499744534861687311042450122669709728003860050932848743311346898387890661803908869689331393

8867015427543785930782630923501832609362962461071299306066076792754167499211038183527795346288627209611091974396514539074551837918867806441875376186612364

[ [ 2.45835, -0.269243, 0 ], [ 1.36207, 7.06595, 0 ], [ 0, 0, 4.27026 ] ]

[ [ 2.53187, 4.32736, 0 ], [ 2.53443, 3.15576, 2.13513 ], [ 1.52528, 5.43762, 2.13513 ], [ 3.64149, 6.60547, 0 ], [ 0.9829, 2.25759, 0 ], [ 1.51876, 0.87189, 2.13513 ] ]

[ true, true, true ]

Co3NbV2

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.16666666666666666, 0.3333333333333333 ]

[ 27, 27, 27, 41, 23, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_309" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1155632402588395241999567

1155632402588395241999567232402017741228297348805881917409755665494230132966295324935146476761743593148047524457784664669856717032762703554072965377855732

2025-04-16T16:54:22

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.526304

[ [ 0.680937, -0.288727, 0 ], [ 0.090422, 0.734077, 0 ], [ -0.090426, -0.734077, 0 ], [ -0.680947, 0.288749, 0 ], [ 0.467321, -2.64583, 0 ], [ -2.057686, 1.727602, 0 ], [ 2.057691, -1.72761, 0 ], [ -0.467312, 2.645814, 0 ] ]

[ [ -0.014413017703672136, 0.0008852956544152812, 0 ], [ 0.0008852956544152812, -0.015435751389039368, 0 ], [ 0, 0, -0.04783174277111509 ] ]

true

null

2.686783

1.713199

null

CO_1157216844279281633380076

11572168442792816333800760625263644662149126895472758006382366925092608995084717144707521545058727881729169948789213287855742610865874364772503291217409003

5467940499775263793985792836812256976104419021271796166521209223901520562287326219883256095051987264715125406721925838823041288175667680873097003548814448

[ [ 0, 0, 4.44906 ], [ 4.08672, 2.35947, 0 ], [ -2.72448, 4.71894, 0 ] ]

[ [ 0, 0, 0 ], [ 0, 4.71894, 0 ], [ 1.36224, 0.78649, 2.22453 ], [ 1.36224, 5.50543, 2.22453 ], [ 1.36224, 2.35947, 0 ], [ -1.36224, 2.35947, 0 ], [ 2.72448, 3.14596, 2.22453 ], [ 0, 3.14596, 2.22453 ] ]

[ true, true, true ]

Co4Nb4

CoNb

AB

[ "Co", "Nb" ]

[ 0.5, 0.5 ]

[ 27, 27, 27, 27, 41, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_67" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_6102297451808309603491825

6102297451808309603491825719452218337280470996005739007788945700965222280518157680063218993399001688410618559622406329771408229938776182019691965943680824

2025-04-16T16:44:56

DS_sn623uhg2d1b_0

1

VASP

DFT

-66.806738

[ [ -0.284817, -0.714426, 0.039563 ], [ 0.671314, 0.019518, 0.032004 ], [ -0.107504, 0.384984, -0.098483 ], [ -0.094858, 0.424782, 0.0699 ], [ 0.225853, -0.262127, 0.05379 ], [ -0.151652, 0.487016, -0.180327 ], [ -0.415146, 0.468453, 0.056713 ], [ 0.156809, -0.808202, 0.02684 ] ]

[ [ -0.027507391774318917, -0.012238663169488186, -0.00003382897946228726 ], [ -0.012238663169488186, -0.005416319204350232, -0.0000605426385210676 ], [ -0.00003382897946228726, -0.0000605426385210676, -0.02019821009736207 ] ]

true

null

0.823711

0.579795

null

CO_4423917065343375890461920

4423917065343375890461920566663159798109558508106971625427850199660188326410724640929537672366030917416029759329034694882146539021559179863368461722597262

7401516698338492992782281341264323336809691188611994508834470090773702750965417830195971235836825024340052765330552835775377238547983180214631518390227500

[ [ 2.58044, 0.182382, 4.29823 ], [ -2.59979, 4.66807, 0.000105 ], [ -2.58054, -0.182288, 4.29835 ] ]

[ [ -0.97844, 2.16299, 4.29702 ], [ -3.77648, 2.01118, 4.29563 ], [ -2.75001, 3.23923, 2.00746 ], [ -2.75034, 3.23723, 6.58965 ], [ -2.43075, 4.24932, 4.29606 ], [ -1.50589, 0.96419, 6.43625 ], [ -1.49651, 0.96382, 2.16818 ], [ -5.04595, 4.34897, 4.29676 ] ]

[ true, true, true ]

Co4Nb3V

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.375, 0.125 ]

[ 27, 27, 27, 27, 41, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_197" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_6137435983837584718397109

6137435983837584718397109740327745431477390903160624655218758805745678994021737912995611766352581144552134916430939729489080310513673164060996964585643150

2025-04-16T15:45:08

DS_sn623uhg2d1b_0

1

VASP

DFT

-63.799973

[ [ -0.019508, 0.037745, -0.166253 ], [ 0.045636, -0.053236, -0.015262 ], [ -0.06256, 0.069211, 0.02772 ], [ -0.075663, 0.051405, 0.243924 ], [ 0.050133, -0.025065, -0.068433 ], [ -0.202109, 0.189783, 0.317792 ], [ 0.153437, -0.160962, -0.41828 ], [ 0.110634, -0.108882, 0.078792 ] ]

[ [ -0.001166538055627581, -0.013506937823867665, -0.004029455876578972 ], [ -0.013506937823867665, -0.0017254651978504264, 0.006466640360053867 ], [ -0.004029455876578972, 0.006466640360053867, 0.019121362527873432 ] ]

true

null

0.473719

0.219898

null

CO_1166519623010763614366420

11665196230107636143664202445322649074450361381186707538497574977613403757624057005735968444638111250454725026852106095890535614133932200835959318443758358

1483093817666627538463250312505351766594448304917804603378485559708723670611582938846592805526643871312565589322702289987928505970546814790243687938689504

[ [ 1.87214, 1.89335, -0.0318 ], [ -9.56387, 9.56391, 11.4774 ], [ 0.111822, -1.9241, 1.67815 ] ]

[ [ -2.11412, 4.02445, 5.65684 ], [ -3.79237, 3.85941, 7.44548 ], [ -5.62157, 5.64307, 7.50629 ], [ -5.42802, 7.37006, 9.2605 ], [ -9.50051, 9.50016, 11.4018 ], [ -0.13418, 2.04003, 2.01568 ], [ -2.17889, 2.19847, 3.92306 ], [ -7.26798, 7.33227, 11.04 ] ]

[ true, true, true ]

Co4NbV3

A4B3C

[ "Co", "Nb", "V" ]

[ 0.5, 0.125, 0.375 ]

[ 27, 27, 27, 27, 41, 23, 23, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_305" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_6144103366125469251175124

6144103366125469251175124726045625945292634185863217362965983634927580822788637163115817384018876698331123761683527773803118953821482555713930671916709405

2025-04-16T20:18:09

DS_sn623uhg2d1b_0

1

VASP

DFT

-65.152731

[ [ -0.01615, 0.107568, 0.440846 ], [ -0.001776, -0.104391, -0.463909 ], [ 0.025487, -0.004573, -0.221496 ], [ -0.01211, 0.002925, 0.010955 ], [ 0.002855, -0.00232, 0.218264 ], [ 0.013526, 0.004374, -0.204228 ], [ -0.000298, -0.002262, -0.015979 ], [ -0.011535, -0.001321, 0.235547 ] ]

[ [ -0.017574404491023266, -0.001667231917705936, -0.0007289458508119057 ], [ -0.001667231917705936, -0.018699998246785053, -0.0006338252517334448 ], [ -0.0007289458508119057, -0.0006338252517334448, -0.01813408061434122 ] ]

true

null

0.475513

0.230521

null

CO_2459418431031004741482658

2459418431031004741482658571855969568345344331165206273722510542324025754554373296585107722598745210103004017338942758037603365807483826543713288898446866

6563477489972621202711550893136613870730597932264957604562207353612117993295336992839240223718748642188092544034181633598674852553332196733173029672417351

[ [ 3.7911, -0.614155, 0.239131 ], [ -1.58628, 2.15813, -0.474596 ], [ 1.10149, 0.660525, 14.7397 ] ]

[ [ 1.23265, 1.11831, 13.8562 ], [ -0.16588, 2.18502, 7.78101 ], [ 1.68109, 2.14396, 9.28426 ], [ 1.3272, 0.57266, 11.0545 ], [ 3.1726, 0.54617, 12.5908 ], [ 1.95878, 0.52275, 1.17373 ], [ -0.01804, 1.32189, 3.44883 ], [ 1.7958, 1.50664, 5.95916 ] ]

[ true, true, true ]

Co5Nb3

A5B3

[ "Co", "Nb" ]

[ 0.625, 0.375 ]

[ 27, 27, 27, 27, 27, 41, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_328" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_6158615874217473045802179

6158615874217473045802179940967866631896015780786765492186346712841483766949075907195861145056683462094452260535443764964179510428226721491757459993295260

2025-04-16T16:55:31

DS_sn623uhg2d1b_0

1

VASP

DFT

-50.886512

[ [ -0.081503, 0.193583, 0.049397 ], [ -0.000019, 0.000018, 0.000026 ], [ 0.0815, -0.193643, -0.049405 ], [ 0.126852, -0.066587, -0.005774 ], [ -0.126817, 0.066655, 0.005746 ], [ -0.000014, -0.000027, 0.000009 ] ]

[ [ 0.0034986155254226018, 0.003631746915077691, -0.0008794910509282099 ], [ 0.003631746915077691, 0.011854747943155107, -0.0016217937312695057 ], [ -0.0008794910509282099, -0.0016217937312695057, 0.015013950202312177 ] ]

true

null

0.215826

0.119738

null

CO_3628818881296269662364258

362881888129626966236425842625799006650264726696340739760308022776118031329972388239281116780545407071285136738553943391060940227131892871323008060384593

2657560059338102841807498057732218786352426605985280055453120893049093409528905676000661032016353894291977421069073205833473069454320062935042616444077763

[ [ -0.03703, -0.441039, 4.33857 ], [ 2.38366, 3.06699, -1.88791 ], [ -3.84472, 3.26801, 0.283192 ] ]

[ [ 0.61135, 2.64239, 0.24334 ], [ 0.42427, 4.25995, 2.59225 ], [ -2.10944, 3.25157, 2.49051 ], [ -0.25359, 1.55649, 2.32486 ], [ -1.24451, 4.33746, 0.40899 ], [ -1.49809, 5.89396, 2.73385 ] ]

[ true, true, true ]

Co3Nb2V

A3B2C

[ "Co", "Nb", "V" ]

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ 27, 27, 27, 41, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_357" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_6157822095261752242811558

615782209526175224281155871387183176509070050009401506472509591090495821628120264946459131139442882856653183664269439442472106863946044947302533351686000

2025-04-16T21:22:14

DS_sn623uhg2d1b_0

1

VASP

DFT

-31.412484

[ [ -0.000083, 0.000056, 0.040762 ], [ 0.000083, -0.000056, -0.040725 ], [ 0.001533, -0.000885, 2.304075 ], [ -0.001533, 0.000885, -2.304112 ] ]

[ [ -0.0014331753254853137, -0.00005623599722420816, -0.00002715056469759217 ], [ -0.00005623599722420816, -0.0014981494354857584, 0.00001572860299722581 ], [ -0.00002715056469759217, 0.00001572860299722581, -0.005151179896682711 ] ]

true

null

2.304113

1.172419

null

CO_4548130419384172210062293

4548130419384172210062293639496778014417123930354559299879822157740437555288965428875740172216282797847383917792084520434261397962459283700486633945107721

1821429343629927811409591943715066823471680796790940621215974271823369118036159239399147314243780986174875223170140737352289593286840058955782307918619162

[ [ 2.56622, 0, 0 ], [ -1.28311, 2.22241, 0 ], [ 1.28311, -0.740804, 8.38125 ] ]

[ [ 1.28311, 0.7408, 2.09531 ], [ 0, 1.48161, 4.19062 ], [ 0, 0, 0 ], [ 2.56622, 0, 6.28594 ] ]

[ true, true, true ]

Co2V2

CoV

AB

[ "Co", "V" ]

[ 0.5, 0.5 ]

[ 27, 27, 23, 23 ]

4

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_55" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1166059476762773512202116

11660594767627735122021167455018075086006446149368520189138006507072762112021361923451727634484533792615152115481373676689546554569431569358004691272595181

2025-04-16T20:47:45

DS_sn623uhg2d1b_0

1

VASP

DFT

-59.13921

[ [ 0, 0, 2.319735 ], [ 0, 0, -0.107068 ], [ 0, 0, 0.066523 ], [ 0, 0, -0.066648 ], [ 0, 0, 0.107342 ], [ 0, 0, -2.319612 ], [ 0, 0, -5.673216 ], [ 0, 0, 5.672944 ] ]

[ [ -0.05216828089668752, 0, 0 ], [ 0, -0.05216828089668752, 0 ], [ 0, 0, -0.059620830038265904 ] ]

true

null

5.673216

2.041636

null

CO_8841719448833361525477840

8841719448833361525477840375095871257176151275377045852039378595602029831112666350452888544704380251339320942994283999759683061613738947987520937264783367

8895177621192895000376334701245937815288283377667619494041169436498551617660901304425873517601894676008145968582887405735501426928687421381953126708317210

[ [ 1.83709, 1.83709, 0 ], [ -1.83709, 1.83709, 0 ], [ 0, 0, 14.6967 ] ]

[ [ 0, 0, 3.67418 ], [ 0, 1.83709, 5.51127 ], [ 0, 0, 7.34836 ], [ 0, 1.83709, 9.18545 ], [ 0, 0, 11.0225 ], [ 0, 1.83709, 12.8596 ], [ 0, 0, 0 ], [ 0, 1.83709, 1.83709 ] ]

[ true, true, true ]

Co6Nb2

Co3Nb

A3B

[ "Co", "Nb" ]

[ 0.75, 0.25 ]

[ 27, 27, 27, 27, 27, 27, 41, 41 ]

8

2

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_105" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1171579462717927129001905

11715794627179271290019053762493111317896922621503892017238242294965435180459490279558750628361794221837588897499501209907881383857764519386045833721385523

2025-04-16T18:08:14

DS_sn623uhg2d1b_0

1

VASP

DFT

-47.090963

[ [ 0.009804, 0.546766, 0.000025 ], [ -0.00203, -0.163091, 0.000031 ], [ -0.002413, 0.371273, -0.000048 ], [ -0.008563, -0.525742, -0.000027 ], [ 0.007001, -0.290771, 0.000059 ], [ -0.003798, 0.061565, -0.00004 ] ]

[ [ -0.01039392273224213, 0.0004086940175628357, 0 ], [ 0.0004086940175628357, -0.00875689971870547, -6.241509125883259e-8 ], [ 0, -6.241509125883259e-8, 0.0003043984000693265 ] ]

true

null

0.546854

0.326598

null

CO_1079203135237374463711419

10792031352373744637114198025341569395860572590539267754939733178389413513871264984553698578225120138101794283778343075153265579969219184512751187352928794

11008952459731197872596471485303117645205002609390686541960007764143297818206634393421074070056687723481568343549367598760494020604284694490499511717072089

[ [ 2.58577, 0.003003, 0 ], [ 1.29393, 6.72186, 0 ], [ 0, 0, 4.17037 ] ]

[ [ 1.29229, 2.3807, 0 ], [ 2.58613, 4.43996, 0 ], [ 1.29347, 0.79555, 2.08519 ], [ 2.58695, 2.92806, 2.08519 ], [ 2.58449, 0.08581, 0 ], [ 1.29509, 5.06425, 2.08519 ] ]

[ true, true, true ]

Co4NbV

A4BC

[ "Co", "Nb", "V" ]

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ 27, 27, 27, 27, 41, 23 ]

6

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_76" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_6286169344148251932262343

6286169344148251932262343706919158378714626387969666923582346190133346442948636361908298289659408219861675622203950367715839431542993511483867169142252761

2025-04-16T16:54:17

DS_sn623uhg2d1b_0

1

VASP

DFT

-63.921063

[ [ 0, 0.447795, 0.3349 ], [ 0, -0.000079, 0.000249 ], [ 0, -0.447933, -0.335259 ], [ 0, -0.000139, 0.00073 ], [ 0, 0.000348, 0.000356 ], [ 0, -0.051234, 0.666399 ], [ 0, 0.051021, -0.667843 ], [ 0, 0.000221, 0.000468 ] ]

[ [ -0.029692169628743093, 0, 0 ], [ 0, -0.01697490753948218, 0.0005310900115214065 ], [ 0, 0.0005310900115214065, 0.02051203317621148 ] ]

true

null

0.669789

0.307357

null

CO_7849349952619035940415471

7849349952619035940415471019237918442752544292773272031456111346402829763372332520832999368487116974635984461580719373868479697460352827011081049285664735

8113398890972669307802556921175000236461162384789627668656068828043702615120849521056249165669447634329463734641521705355619954890717605731347180964983779

[ [ 2.97248, 0, 0 ], [ 0, 3.96805, -0.21332 ], [ 0, -0.025035, 8.61258 ] ]

[ [ 1.48624, 2.29198, 8.45854 ], [ 0, 2.63912, 2.01092 ], [ 1.48624, 2.9612, 4.17592 ], [ 1.48624, 0.64257, 6.42385 ], [ 0, 2.62658, 6.31721 ], [ 0, 0.34831, 8.42589 ], [ 0, 0.93684, 4.42196 ], [ 1.48624, 0.65507, 2.11756 ] ]

[ true, true, true ]

Co5Nb2V

A5B2C

[ "Co", "Nb", "V" ]

[ 0.625, 0.25, 0.125 ]

[ 27, 27, 27, 27, 27, 41, 41, 23 ]

8

3

[ 1, 1, 1 ]

[ "CoNbV_CMS2019_189" ]

null

data/MD/5202/MD_1086845055867124744315202.json

null

{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}

PO_1174852010904035363982609

11748520109040353639826096986414194528144867636171520632213765721938101072029041380801331489743703786431647717415537333726322397469186304173278247982493246

2025-04-16T22:03:29

DS_sn623uhg2d1b_0

1

VASP

DFT

-48.791061

[ [ 0.000017, -0.000044, 0 ], [ -0.001325, 0.997167, 0 ], [ 0.000005, -0.000057, 0 ], [ 0.00126, -0.997048, 0 ], [ 0.001189, 3.392308, 0 ], [ -0.001146, -3.392326, 0 ] ]

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Co4Nb2

Co2Nb

A2B

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6

2

3

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null

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PO_6307039771486488028103209

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2025-04-16T18:59:53

DS_sn623uhg2d1b_0

1

VASP

DFT

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Co3Nb3

CoNb

AB

[ "Co", "Nb" ]

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6

2

3

[ 1, 1, 1 ]

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null

data/MD/5202/MD_1086845055867124744315202.json

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