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77,
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1
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44,
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8,
1
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0,
0
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[
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true,
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1
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[
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true,
true
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1
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0,
0
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[
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true,
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44,
44,
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1
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0,
0
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[
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true,
true
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78,
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45,
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1
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0,
0
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"H",
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
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46,
46,
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44,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
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[
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1
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0,
0
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[
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true,
true
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78,
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8,
1
] | 18 | 7 | 0 | [
0,
0,
0
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[
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true,
true,
true
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"Ir",
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77,
78,
45,
77,
46,
46,
44,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_6"
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[
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0.7... | [
true,
true,
true
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1
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0,
0
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[
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0.7... | [
true,
true,
true
] | HIr4OPd4Pt2Rh3Ru3 | HIr4OPd4Pt2Rh3Ru3 | A4B4C3D3E2FG | [
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"Ir",
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77,
46,
78,
44,
77,
45,
46,
8,
1
] | 18 | 7 | 0 | [
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0,
0
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[
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0.7... | [
true,
true,
true
] | HIrOPd5Pt3Rh2Ru5 | HIrOPd5Pt3Rh2Ru5 | A5B5C3D2EFG | [
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44,
44,
46,
78,
46,
45,
46,
8,
1
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0,
0,
0
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PO_4980408936007962898237655 | 4980408936007962898237655677462331301491310130114977803212782772680392270407173073133166686455636120605420685890128799059475257164850318781788284375009589 | 2025-04-16T16:06:08 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -105.786752 | [] | [] | null | null | null | null | 13.184119 | null | null | null | null | CO_1272095055847733314283666 | 12720950558477333142836666603593668782440041073879819491789376658644887141723931219222229247701629901166398897406106060301408260863994192121024431438282334 | 4331610283894321818023030761912215065218896530579475728671041696998748439449123535957862681405071829228037642453427585178326513412627813612869554427804268 | [
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[
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0.7... | [
true,
true,
true
] | HIrOPd2Pt6Rh3Ru4 | HIrOPd2Pt6Rh3Ru4 | A6B4C3D2EFG | [
"H",
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"O",
"Pd",
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78,
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78,
45,
78,
45,
46,
78,
44,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
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[
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true,
true
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1
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[
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true,
true,
true
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78,
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45,
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8,
1
] | 18 | 6 | 0 | [
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0,
0
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[
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true,
true,
true
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1
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0,
0
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[
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true,
true
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1
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0,
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0
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[
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0.7... | [
true,
true,
true
] | HIr4OPd2Pt4Rh4Ru2 | HIr4OPd2Pt4Rh4Ru2 | A4B4C4D2E2FG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
"Rh",
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0.05555555555555555,
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0.05555555555555555,
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44,
78,
46,
45,
78,
77,
77,
78,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
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PO_4993022444249013267042225 | 4993022444249013267042225705992246934724161841892954181295236435521136663455224446491949146311875599933813132609829698377221210671846811732478681909178062 | 2025-04-17T18:16:17 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -122.226148 | [] | [] | null | null | null | null | 14.220401 | null | null | null | null | CO_2198691256183257473106096 | 2198691256183257473106096552491204147483406107931799713560568746811067016006938324869323764142984446433663227164150354373403044250667071121087741888662760 | 11170492321112943286963632903719297625404759564861782382239620314538612277673996264364466776513454403637318847681161392878026332591182175716962933697108533 | [
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[
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0.7... | [
true,
true,
true
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"H",
"Ir",
"O",
"Pt",
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"Ru"
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77,
44,
77,
77,
45,
77,
45,
78,
8,
1
] | 18 | 6 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/7527/MD_1207606954380124077167527.json | data/MD/2017/MD_1188822828683314145352017.json | null | {"id": "MD_1188822828683314145352017", "hash": "11888228286833141453520174990815435838190881689727183654876182306881738546601189243382239722047842255224200899634345524846146215089126930852860028229606062"} | {"energy-cutoff": "400 eV", "hash": "12076069543801240771675275183517523941921560600720152225617419045661741114617516403883028373073562328590784271250207699347916533924377882087917767595255964", "id": "MD_1207606954380124077167527"} |
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[
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0.7... | [
true,
true,
true
] | HIr5OPdPt4Rh4Ru2 | HIr5OPdPt4Rh4Ru2 | A5B4C4D2EFG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
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78,
77,
45,
46,
78,
77,
45,
44,
77,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_302"
] | null | data/MD/7637/MD_6846709538870588392517637.json | data/MD/1291/MD_4813579235189656671451291.json | null | {"id": "MD_4813579235189656671451291", "hash": "4813579235189656671451291607986194722533709485817396821726097810316439900014208291011781127948216299797242735291005005480272251806056852629235839115405708"} | {"input": {"encut": {"value": 400, "units": "eV"}, "kpoints-scheme": "Monkhorst-Pack"}, "hash": "6846709538870588392517637144544804551011610606024023172782505634989800412975869208788620785848095126747194723504937544788222614538433288369193869333688772", "id": "MD_6846709538870588392517637"} |
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[
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0.7... | [
true,
true,
true
] | HIr2OPd7Pt3Rh3Ru | HIr2OPd7Pt3Rh3Ru | A7B3C3D2EFG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
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46,
44,
45,
46,
46,
78,
46,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_69"
] | null | data/MD/7637/MD_6846709538870588392517637.json | data/MD/6567/MD_9826163956563174668356567.json | null | {"id": "MD_9826163956563174668356567", "hash": "982616395656317466835656781807284024433826158368887998036523335545133786169870107974264421158663592936936345533772255198462899518819821056964317741716834"} | {"input": {"encut": {"value": 400, "units": "eV"}, "kpoints-scheme": "Monkhorst-Pack"}, "hash": "6846709538870588392517637144544804551011610606024023172782505634989800412975869208788620785848095126747194723504937544788222614538433288369193869333688772", "id": "MD_6846709538870588392517637"} |
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr3OPd2PtRh3Ru7 | HIr3OPd2PtRh3Ru7 | A7B3C3D2EFG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
"Rh",
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78,
44,
44,
44,
44,
77,
44,
45,
45,
46,
46,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_205"
] | null | data/MD/7527/MD_1207606954380124077167527.json | data/MD/0657/MD_1184197510243211045030657.json | null | {"id": "MD_1184197510243211045030657", "hash": "11841975102432110450306570899932949060571408972987699974501923857616704324046865311674897976435225117847019762515360576449967551193241861502856126225421526"} | {"energy-cutoff": "400 eV", "hash": "12076069543801240771675275183517523941921560600720152225617419045661741114617516403883028373073562328590784271250207699347916533924377882087917767595255964", "id": "MD_1207606954380124077167527"} |
PO_4441996367539335343176867 | 4441996367539335343176867154176906723601694856742574721382213445661839162120746626563516273448081475810688339354647596309131757474459573558943013213676305 | 2025-04-16T16:08:10 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -108.371527 | [] | [] | null | null | null | null | 6.736352 | null | null | null | null | CO_2143501013855534074745284 | 214350101385553407474528411685392564837618343365538270345885060722611370328017999289367000949302354686592419628500828152734971123132640770367453061639042 | 189051928409912257255839970899829127655575257797193380376521277898216498153831099941698119637480171313235970931889844056388094013498690101767945891774694 | [
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[
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9.757785962692951
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr3OPd3Pt4Rh2Ru4 | HIr3OPd3Pt4Rh2Ru4 | A4B4C3D3E2FG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
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77,
77,
78,
45,
45,
78,
44,
44,
46,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_206"
] | null | data/MD/7527/MD_1207606954380124077167527.json | data/MD/7736/MD_8625311358320426845807736.json | null | {"id": "MD_8625311358320426845807736", "hash": "8625311358320426845807736253778717664584455460889016520790527004649193579069662398717546749935446524146029876897807599362327762744433743041420211144108333"} | {"energy-cutoff": "400 eV", "hash": "12076069543801240771675275183517523941921560600720152225617419045661741114617516403883028373073562328590784271250207699347916533924377882087917767595255964", "id": "MD_1207606954380124077167527"} |
PO_1010600902500759348687676 | 1010600902500759348687676700230635329436403100435829746274976646553539294590255377377203059918697867645652102829967567667899420918178265802202473070876443 | 2025-04-16T16:30:52 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -105.797567 | [] | [] | null | null | null | null | 5.453984 | null | null | null | null | CO_1110015779537904273004025 | 11100157795379042730040259584121017766312945349740591417031326776096035489128224333888250866775879750348947058126664383794024282675807989244539382598213693 | 11521271982251520873802688519282726550971040757568618723906349667453687432409916434819955949775856679636658373584184438725521835467301035101707575945407910 | [
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[
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9.757785962692951
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr2OPd3Pt4Rh3Ru4 | HIr2OPd3Pt4Rh3Ru4 | A4B4C3D3E2FG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
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77,
78,
78,
45,
44,
77,
44,
44,
46,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
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] | null | data/MD/7527/MD_1207606954380124077167527.json | data/MD/5540/MD_3584650290028107269915540.json | null | {"id": "MD_3584650290028107269915540", "hash": "3584650290028107269915540592165908025948868735193618112207875996100430460405639875911077503684499940341825931586715561728630182243583504177367935119708593"} | {"energy-cutoff": "400 eV", "hash": "12076069543801240771675275183517523941921560600720152225617419045661741114617516403883028373073562328590784271250207699347916533924377882087917767595255964", "id": "MD_1207606954380124077167527"} |
PO_1010995772549064353747799 | 10109957725490643537477990147100551270946510789581836290908173514844736716644799056834336507579347255326497023467361215730089124101252842263121303656313528 | 2025-04-16T17:10:53 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -89.702228 | [] | [] | null | null | null | null | 22.961886 | null | null | null | null | CO_1239841482997243416035449 | 12398414829972434160354492024404945482420486476683428135845531823306474795351938244669228402990102146551302933080959505961588064581322766468452113719069654 | 11619934300896649668505874511391125622625072717364566328201227300724904355345454203946467287869346062555720754284273554940350944032288529264745984701498986 | [
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[
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[
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[
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0.7982478823439912,
9.757785962692951
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIrOPd6Pt6Ru3 | HIrOPd6Pt6Ru3 | A6B6C3DEF | [
"H",
"Ir",
"O",
"Pd",
"Pt",
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46,
46,
78,
44,
46,
78,
78,
46,
78,
77,
46,
78,
8,
1
] | 18 | 6 | 0 | [
0,
0,
0
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1
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[
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true,
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1
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[
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1
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0,
0
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[
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true,
true,
true
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1
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0,
0,
0
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1
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[
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1
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0,
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PO_1050733256241862151488615 | 10507332562418621514886158078337891053777434818061803538650273944507785317518906527480253003481025276622012947486467454943165928114538303502065763987631364 | 2025-04-16T16:10:07 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -107.698639 | [] | [] | null | null | null | null | 17.254641 | null | null | null | null | CO_2649500563584328721347270 | 2649500563584328721347270739781243353592748548621875232802162106183287340090990466355398120854221175607086908086530883553363178456176560963738226012932130 | 10294002969003334975709407445850871587807455930576356736324554942392518861727385161723404726975397392568550496709518005439184973953301950490927381343523959 | [
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true,
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8,
1
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0,
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[
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1
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0
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[
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0.7... | [
true,
true,
true
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78,
77,
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44,
8,
1
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0,
0,
0
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[
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8,
1
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0,
0
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[
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0.7... | [
true,
true,
true
] | HIr3OPd6Pt2Rh2Ru3 | HIr3OPd6Pt2Rh2Ru3 | A6B3C3D2E2FG | [
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77,
44,
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8,
1
] | 18 | 7 | 0 | [
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0,
0
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true,
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1
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true,
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1
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1
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0,
0
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[
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true,
true,
true
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1
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0,
0
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[
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0.7... | [
true,
true,
true
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1
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0,
0
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[
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0.7... | [
true,
true,
true
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45,
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8,
1
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0,
0
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PO_4551345460571274628261039 | 455134546057127462826103927468306057757355398433078780597525883950076244756329957507345456126240820002353072113852186479003348553309200920915581245977118 | 2025-04-16T16:33:13 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -103.13235 | [] | [] | null | null | null | null | 18.982204 | null | null | null | null | CO_1037558550678443360914396 | 1037558550678443360914396593627138489664213702011078054444485994646024844993906252952598306861652970857041039864114701054604768350861986547957250362079442 | 6061158152381317377151506474625943389474005661900739241243370580516778276802795383564693404669912013203611929747158601445913348909493593048818916598754345 | [
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[
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0.7... | [
true,
true,
true
] | HIr2OPd4Pt4RhRu5 | HIr2OPd4Pt4RhRu5 | A5B4C4D2EFG | [
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45,
46,
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78,
44,
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1
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0,
0
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[
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true,
true
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1
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true,
true,
true
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1
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0,
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[
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true,
true,
true
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46,
78,
46,
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8,
1
] | 18 | 7 | 0 | [
0,
0,
0
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PO_4525155876432114836104179 | 4525155876432114836104179030861686150557171877056013966603257939802474913886628043895996749437790179144211259232044560024012646716408924729039619926893631 | 2025-04-17T17:56:16 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -107.213736 | [] | [] | null | null | null | null | 6.967638 | null | null | null | null | CO_9746571726188872294255979 | 9746571726188872294255979759815738915935806484535394610374642061465545605821209678088567420818737552395906373051945466697600398931518295863537980414287973 | 12601009510551540651978490525541274418410707296249542166382188178960944103226805491224353122129711706838664335226200327483166574817964199604494541352536557 | [
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[
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0.7... | [
true,
true,
true
] | HIr6OPd4Pt2Rh2Ru2 | HIr6OPd4Pt2Rh2Ru2 | A6B4C2D2E2FG | [
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1
] | 18 | 7 | 0 | [
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0,
0
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[
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0.7... | [
true,
true,
true
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1
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0,
0
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PO_1053597008103999332148912 | 1053597008103999332148912091096906131047798828053575005062311069789034202743655667032975942296298716991775995210005516317272488656550711596717277681361857 | 2025-04-16T21:23:51 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -102.395275 | [] | [] | null | null | null | null | 10.418384 | null | null | null | null | CO_1372918041624143393169149 | 1372918041624143393169149716195566299321020277308140735558298819154270465667477573386801689437827347939516198697414389501835677923638911570307530640471717 | 6476948457843408606663578658858315120946854865760032157108643477442980847992096817595960808593563886982812209116073172946248651038027474734389735802389499 | [
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[
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0.7... | [
true,
true,
true
] | HIr4OPd5PtRh3Ru3 | HIr4OPd5PtRh3Ru3 | A5B4C3D3EFG | [
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46,
46,
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77,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
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[
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true,
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[
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[
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr2OPd5Pt4Rh2Ru3 | HIr2OPd5Pt4Rh2Ru3 | A5B4C3D2E2FG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
] | [
0.05555555555555555,
0.1111111111111111,
0.05555555555555555,
0.2777777777777778,
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77,
78,
77,
45,
78,
46,
46,
78,
45,
46,
46,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_458"
] | null | data/MD/7637/MD_6846709538870588392517637.json | data/MD/0308/MD_7644124050392952021230308.json | null | {"id": "MD_7644124050392952021230308", "hash": "7644124050392952021230308597772489869075088547838743680948298242026301092348719014330729169478049804382607162086284662943395190751906846710765730077236282"} | {"input": {"encut": {"value": 400, "units": "eV"}, "kpoints-scheme": "Monkhorst-Pack"}, "hash": "6846709538870588392517637144544804551011610606024023172782505634989800412975869208788620785848095126747194723504937544788222614538433288369193869333688772", "id": "MD_6846709538870588392517637"} |
PO_4572343659917932002755206 | 4572343659917932002755206684053397980203283525193888383178584643448846362161392526416947662416935630361374880154554071967749725086204168747871777502669455 | 2025-04-16T18:43:29 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -100.524873 | [] | [] | null | null | null | null | 19.257269 | null | null | null | null | CO_9232539074530216851656981 | 9232539074530216851656981072316531005916829569672032709054086155544541470029662941763699382048318005096034114254796160375112632926222437396988915797483363 | 3466982143902815418015794070517805482680278149206398021001649480855069416228989079006245264855683128794557273849342342344524872606755011995600546668994503 | [
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr2OPd4Pt4Rh3Ru3 | HIr2OPd4Pt4Rh3Ru3 | A4B4C3D3E2FG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
] | [
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0.1111111111111111,
0.05555555555555555,
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45,
77,
46,
78,
78,
46,
44,
78,
78,
45,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_162"
] | null | data/MD/7637/MD_6846709538870588392517637.json | data/MD/7239/MD_1083077974029963770037239.json | null | {"id": "MD_1083077974029963770037239", "hash": "1083077974029963770037239161593084562244095839763068282732794465790179127668575402198025777573399866420839456843076248784487449624846421341280121230469426"} | {"input": {"encut": {"value": 400, "units": "eV"}, "kpoints-scheme": "Monkhorst-Pack"}, "hash": "6846709538870588392517637144544804551011610606024023172782505634989800412975869208788620785848095126747194723504937544788222614538433288369193869333688772", "id": "MD_6846709538870588392517637"} |
PO_4571852900739552062794544 | 4571852900739552062794544487282679617689805451931901191300045684757522259534811670624160177274685705953811456770471775312249840645348644588778205277129664 | 2025-04-16T21:23:51 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -101.916532 | [] | [] | null | null | null | null | 15.208308 | null | null | null | null | CO_8694067693070194682744526 | 8694067693070194682744526795683032462797910268636684783094596128993266107287184507431248128981395471518520719626075573558878667613372935655044595856243468 | 11408550925517528318338186848408545939018653377901130672777341513539042062648054423495532902831515996658348322618767342477696165525961381762468291085251942 | [
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[
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[
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[
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr2OPd3Pt5Rh4Ru2 | HIr2OPd3Pt5Rh4Ru2 | A5B4C3D2E2FG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
] | [
0.05555555555555555,
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0.05555555555555555,
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77,
77,
46,
78,
78,
44,
46,
45,
78,
46,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_759"
] | null | data/MD/7527/MD_1207606954380124077167527.json | data/MD/1686/MD_2548289496224659705181686.json | null | {"id": "MD_2548289496224659705181686", "hash": "2548289496224659705181686333993047228161955103374017316472928537100902166911804360423558671026559496810541464598456578634569512400582140207135280489962404"} | {"energy-cutoff": "400 eV", "hash": "12076069543801240771675275183517523941921560600720152225617419045661741114617516403883028373073562328590784271250207699347916533924377882087917767595255964", "id": "MD_1207606954380124077167527"} |
PO_1056006620422198212970750 | 10560066204221982129707508482702908290341747780663904996155491953956973637250665453650338176216149995532048417224801605607790013109865597969424066574203871 | 2025-04-16T20:35:24 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -119.280404 | [] | [] | null | null | null | null | 14.481116 | null | null | null | null | CO_1271731218879505596028080 | 12717312188795055960280806663842666963371467148244866155675264544321148200539794938275750332814696237878123637187711578720750352715100382253641865718507696 | 7103848773655102958660489578512764653511072787763498706837395247455704452511553181394738221467379754632527284606766415239494069626603158985765244251495131 | [
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[
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[
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[
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[
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0.7... | [
true,
true,
true
] | HIr5OPd2PtRh3Ru5 | HIr5OPd2PtRh3Ru5 | A5B5C3D2EFG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
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78,
77,
46,
77,
45,
45,
44,
77,
77,
45,
44,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
] | [
"AGRA_OH_554"
] | null | data/MD/7637/MD_6846709538870588392517637.json | data/MD/0831/MD_7333996232020598229970831.json | null | {"id": "MD_7333996232020598229970831", "hash": "7333996232020598229970831922192638744915415878334841715416898988939996942707854286419728386706628716841169075883480900680235478701532515987526098655841873"} | {"input": {"encut": {"value": 400, "units": "eV"}, "kpoints-scheme": "Monkhorst-Pack"}, "hash": "6846709538870588392517637144544804551011610606024023172782505634989800412975869208788620785848095126747194723504937544788222614538433288369193869333688772", "id": "MD_6846709538870588392517637"} |
PO_4584554351364897275780581 | 4584554351364897275780581888430140272498777243324141223758409549133470575284251092822611611649293691619858266989721454277894447806816975402310785195148781 | 2025-04-16T21:30:02 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -89.8244 | [] | [] | null | null | null | null | 13.985684 | null | null | null | null | CO_8830571460300979759260710 | 8830571460300979759260710915450876438787463478960448962451992742620802111857514451441624930498920161263601401582304907083152424109620754340216636113954398 | 3827768113849629663109488371328405734470724743336253444254713221197097217028625869767816466384364691748059933280112633284140285400968117886930519730762977 | [
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[
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[
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[
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0.7982478823439912,
9.757785962692951
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr2OPd7Pt5Ru2 | HIr2OPd7Pt5Ru2 | A7B5C2D2EF | [
"H",
"Ir",
"O",
"Pd",
"Pt",
"Ru"
] | [
0.05555555555555555,
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0.05555555555555555,
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44,
46,
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77,
77,
78,
44,
78,
46,
46,
78,
46,
8,
1
] | 18 | 6 | 0 | [
0,
0,
0
] | [
"AGRA_OH_776"
] | null | data/MD/7527/MD_1207606954380124077167527.json | data/MD/5431/MD_4744942996269525886655431.json | null | {"id": "MD_4744942996269525886655431", "hash": "4744942996269525886655431636361853939256426303497017250504613927022869312440479949754478624203446977204910652920612065130258996724995387537204168390060746"} | {"energy-cutoff": "400 eV", "hash": "12076069543801240771675275183517523941921560600720152225617419045661741114617516403883028373073562328590784271250207699347916533924377882087917767595255964", "id": "MD_1207606954380124077167527"} |
PO_1056477548526109991547030 | 10564775485261099915470306143278978356843329517533493215033243199171948920095958856255857079265862062126089570650157979646856389735177390823408614339725960 | 2025-04-16T21:21:56 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -120.519722 | [] | [] | null | null | null | null | 4.595063 | null | null | null | null | CO_1224067261757255548388451 | 12240672617572555483884514523082056982323614304917238483503692803747295296751129882411843946706175420614645499993931549821979031553623380471503357229960738 | 3467629285249202495882300838625644289008040544024432326645016789997656017764172841495139921676893109739827289678034418227412763397547481710072544060487914 | [
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[
0,
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0
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[
0,
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] | [
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[
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[
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0.7982478823439912,
9.757785962692951
],
[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr5OPd3Rh2Ru6 | HIr5OPd3Rh2Ru6 | A6B5C3D2EF | [
"H",
"Ir",
"O",
"Pd",
"Rh",
"Ru"
] | [
0.05555555555555555,
0.2777777777777778,
0.05555555555555555,
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45,
77,
44,
77,
77,
44,
44,
77,
44,
46,
44,
44,
8,
1
] | 18 | 6 | 0 | [
0,
0,
0
] | [
"AGRA_OH_644"
] | null | data/MD/7637/MD_6846709538870588392517637.json | data/MD/7215/MD_7743931169195203364277215.json | null | {"id": "MD_7743931169195203364277215", "hash": "7743931169195203364277215517497677735844173003357236057722789582766196650825441119890429130213919091178825513971601257031829625477754158522198107316039357"} | {"input": {"encut": {"value": 400, "units": "eV"}, "kpoints-scheme": "Monkhorst-Pack"}, "hash": "6846709538870588392517637144544804551011610606024023172782505634989800412975869208788620785848095126747194723504937544788222614538433288369193869333688772", "id": "MD_6846709538870588392517637"} |
PO_1055593675610807669197102 | 10555936756108076691971022625762423331637175914127804597297620394187825291034419964393971111359374292123178042441856070108634706828994700758258158135179560 | 2025-04-16T21:09:01 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -101.573233 | [] | [] | null | null | null | null | 4.17961 | null | null | null | null | CO_8027180144042467917023095 | 802718014404246791702309506690331321766822060397862385922796708226232095255322229321924893424306543190422540277961264270503694781974368321050855668283022 | 6632833266720762404532545489865959218812022100665051331061733050747098953959686228882596045590585517179399154861538314374799755802922158864474279135294719 | [
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[
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[
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[
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0.7982478823439912,
9.757785962692951
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr4OPd5Rh5Ru2 | HIr4OPd5Rh5Ru2 | A5B5C4D2EF | [
"H",
"Ir",
"O",
"Pd",
"Rh",
"Ru"
] | [
0.05555555555555555,
0.2222222222222222,
0.05555555555555555,
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46,
77,
46,
45,
46,
45,
46,
45,
44,
45,
77,
45,
8,
1
] | 18 | 6 | 0 | [
0,
0,
0
] | [
"AGRA_OH_16"
] | null | data/MD/7637/MD_6846709538870588392517637.json | data/MD/6599/MD_2404533726017990523716599.json | null | {"id": "MD_2404533726017990523716599", "hash": "2404533726017990523716599288276246081432157917971979978719969861657867612130088005580554345773533127925206691962016061252114062665610740185871464535014082"} | {"input": {"encut": {"value": 400, "units": "eV"}, "kpoints-scheme": "Monkhorst-Pack"}, "hash": "6846709538870588392517637144544804551011610606024023172782505634989800412975869208788620785848095126747194723504937544788222614538433288369193869333688772", "id": "MD_6846709538870588392517637"} |
PO_4613708248548424056314879 | 4613708248548424056314879896235488470230299096214186473807071288865499268237126776137607477093051939384493676840116058915257059927770460398807458192260987 | 2025-04-16T17:32:32 | DS_osavzsrz5mgf_0 | 1 | GPAW | DFT-rPBE | -107.589515 | [] | [] | null | null | null | null | 6.926897 | null | null | null | null | CO_5683321359324057701913751 | 5683321359324057701913751820747370186065214683753584304976050931307955431469030454560524579238425172580796895123865733879596734937369800544571274486076291 | 4343634101397507579197525994238103078092746413630417961533975077815769769305978475933033648499404046158873486104701165609284438101827453040527290164689044 | [
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[
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[
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[
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0.7982478823439912,
9.757785962692951
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[
4.147817667762169,
0.7... | [
true,
true,
true
] | HIr3OPd3Pt2Rh5Ru3 | HIr3OPd3Pt2Rh5Ru3 | A5B3C3D3E2FG | [
"H",
"Ir",
"O",
"Pd",
"Pt",
"Rh",
"Ru"
] | [
0.05555555555555555,
0.16666666666666666,
0.05555555555555555,
0.16666666666666666,
0.1111111111111111,
0.2777777777777778,
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] | [
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46,
45,
78,
44,
77,
46,
46,
45,
45,
77,
78,
44,
77,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
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1
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true,
true
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1
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true,
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1
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0,
0
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[
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true,
true
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45,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
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[
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0.7... | [
true,
true,
true
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77,
46,
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77,
44,
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8,
1
] | 18 | 7 | 0 | [
0,
0,
0
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[
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0.7... | [
true,
true,
true
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45,
45,
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1
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0,
0
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[
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true,
true,
true
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44,
8,
1
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0,
0
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1
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0,
0
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[
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true,
true,
true
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1
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0
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46,
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1
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0,
0
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[
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0.7... | [
true,
true,
true
] | HIr2OPd3Pt4Rh3Ru4 | HIr2OPd3Pt4Rh3Ru4 | A4B4C3D3E2FG | [
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45,
45,
78,
46,
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46,
78,
8,
1
] | 18 | 7 | 0 | [
0,
0,
0
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[
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true,
true
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[
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true
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[
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true,
true
] | HIr7OPd3Pt3Rh2Ru | HIr7OPd3Pt3Rh2Ru | A7B3C3D2EFG | [
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1
] | 18 | 7 | 0 | [
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0,
0
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