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

799407416996020216600633657371371931975819485050164451733541320802611734755125065956141674531753262745438231808073731603542594421652401474463678513059805

[ [ 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

687239223310436376165709676588024392670360345370315216229419106836758420353265196382101601997539505273540856596061843014784654199380124583999655599035014

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

8194874854952709435337186624340226799651345712803097586878632187157632157858819925244095733085442403492995188933655879546276990610329087683062281164988479

6456749468790051161628316226372546945178821925264030996629316071461850343517686755237011393047219967756277688190709278512293496728598934519754334785424490

[ [ 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

4984380517640739706846927083463247493872645120487113994569338330560075387430936434772995063691210517489947137446985181773135060157581261541043356483284280

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

461493245645238307715190092138118363301825391395094227038910045633785615056761789026100075066483513995759799156107002305317756252151035164689867277926924

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

2715740105177145263774866724960922358508025573321281953242310652250315060933425054142809731561075164074107741011882263004872304117124404677962157925679830

[ [ 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"}

Datasets:

colabfit
/

CoNbV_CMS2019

Cite this dataset
Gubaev, K., Podryabinkin, E. V., Hart, G. L., and Shapeev, A. V. CoNbV CMS2019. ColabFit, 2023. https://doi.org/10.60732/f2c623f1

This dataset has been curated and formatted for the ColabFit Exchange

This dataset is also available on the ColabFit Exchange:

Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.

Dataset Name

Description

Dataset authors

Publication

Original data link

License

Number of unique molecular configurations

Number of atoms

Elements included

Properties included

Usage

ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:

Cite this dataset Gubaev, K., Podryabinkin, E. V., Hart, G. L., and Shapeev, A. V. CoNbV CMS2019. ColabFit, 2023. https://doi.org/10.60732/f2c623f1

This dataset has been curated and formatted for the ColabFit Exchange

This dataset is also available on the ColabFit Exchange:

Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.

Dataset Name

Description

Dataset authors

Publication

Original data link

License

Number of unique molecular configurations

Number of atoms

Elements included

Properties included

Usage

ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:

Cite this dataset
Gubaev, K., Podryabinkin, E. V., Hart, G. L., and Shapeev, A. V. CoNbV CMS2019. ColabFit, 2023. https://doi.org/10.60732/f2c623f1