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cd-251023-94d1f52cb5bc4c3abf7f3f4d21a5cdd8 | Na1 Nb2 O4 | Na2 Nb4 O8 | Amm2 | 38 | 0.00301 | null | 1,064 | null | null | null | 1.861501 | 0.077977 | 1.939479 | 1.939479 | null | null | null | null | null | 0.013095 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.9688223983503788,0.0,0.0017085786658261],[0.0012651159572817,4.774649904380014,-2.1590612020571407],[0.0,0.0,6.30622859]],"pbc":[true,true,true],"a":2.96882289,"b":5.240117230000001,"c":6.30622859,"alpha":114.33212856999998,"... | null | null | null | null | [
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cd-251023-29ed5af7775c4b3c9feabb2397007007 | W2 Se4 | W2 Se4 | P6_3/mmc | 194 | 0.00004 | null | 1,064 | null | null | null | 0.000196 | 1.164807 | 1.165003 | 1.165003 | null | null | null | null | null | 0.002091 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.3241136034152006,0.0,0.0090746340692317],[-1.6626782115582908,2.879145733087547,-0.0037633328650721],[0.0,0.0,14.38499428]],"pbc":[true,true,true],"a":3.3241259899999998,"b":3.3247546,"c":14.38499428,"alpha":90.06485385,"beta... | null | null | null | null | [
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0.241570... | null | 6 | null | null | 0.779257 | 0.09551 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-ed19ea10da394b8abebb8ffa928f2728 | K1 Sb2 Te3 | K1 Sb2 Te3 | Pm | 6 | 0.008495 | null | 1,064 | null | null | null | 0.045074 | 0.943867 | 0.898793 | 0.943867 | null | null | null | null | null | 0.016264 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.46313995077472,0.0,0.0019800626204412],[0.0004234772937121,4.4031421723623865,-0.9526205994070801],[0.0,0.0,11.23887584]],"pbc":[true,true,true],"a":4.46314039,"b":4.50501356,"c":11.23887584,"alpha":102.2078012,"beta":89.9745... | null | null | null | null | [
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0.057693860629595... | null | 1 | null | null | 1.485199 | 1.392281 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-adf6948a88c14899b13837e05700c814 | Na1 Sb13 | Na2 Sb26 | Cm | 8 | 0.002419 | null | 1,064 | null | null | null | 0.098495 | 1.419422 | 1.320928 | 1.419422 | null | null | null | null | null | 0.024623 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.352134618025021,0.0,-0.0047590227500814],[-2.186794840261244,3.7817256203478045,0.0013598886870709],[0.0,0.0,27.42102235]],"pbc":[true,true,true],"a":4.3521372199999995,"b":4.3684690900000005,"c":27.42102235,"alpha":89.982164... | null | null | null | null | [
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0.022799830... | null | 1 | null | null | 1.835718 | 5.627561 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-24426e16ba8a414a8bb68558ace556ec | Te2 Mo4 S6 | Te2 Mo4 S6 | P1 | 1 | 0.006438 | null | 1,064 | null | null | null | 0.440387 | 1.097595 | 1.537983 | 1.537983 | null | null | null | null | null | 0.0046 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.2074387497200463,0.0,-0.1144805250703519],[-3.1892964121438885,5.869904322785383,0.6305053295681513],[0.0,0.0,18.28352805]],"pbc":[true,true,true],"a":3.20948113,"b":6.7100615,"c":18.28352805,"alpha":84.60829582,"beta":92.044... | null | null | null | null | [
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0.187069... | null | 6 | null | null | 0.756957 | 0.084295 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-0c79116c46084e86b075ec6d113f3103 | W3 Se6 | W3 Se6 | P-6m2 | 187 | 0.000003 | null | 1,064 | null | null | null | 0.001198 | 1.132689 | 1.133888 | 1.133888 | null | null | null | null | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.324409921323782,-0.005117655570646,0.0006627568194213],[-1.657662586209101,2.8815836686476017,0.0062405751884614],[-0.0025662227953009,-0.0351955586261415,21.777710899355657]],"pbc":[true,true,true],"a":3.3244139264900716,"b"... | null | null | null | null | [
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0.240300037... | null | 6 | null | null | 0.774717 | 0.096048 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-1cba03294b2d423db33af3d7a2019bcd | Bi4 Se2 O4 | Bi4 Se2 O4 | I4/mmm | 139 | 0.000011 | null | 1,064 | null | null | null | 0.004772 | 1.008534 | 1.013306 | 1.013306 | null | null | null | null | null | 0.001097 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.910577416716842,0.0,0.0062430003997766],[-0.0002722462890689,3.9141980588422847,0.0055970375674709],[0.0,0.0,12.46425236]],"pbc":[true,true,true],"a":3.9105824,"b":3.91420207,"c":12.46425236,"alpha":89.91807098,"beta":89.9085... | null | null | null | null | [
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cd-251023-90dbeb61654648f390c7b2a33101712c | Rb4 Sb2 Te6 | Rb4 Sb2 Te6 | Pm | 6 | 0.009292 | null | 1,064 | null | null | null | 0.675005 | 0.495044 | 1.17005 | 1.17005 | null | null | null | null | null | 0.0191 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.498988708987479,0.0,0.0118670848224611],[-0.0045326071884559,8.543757518444654,-0.1377784083392002],[0.0,0.0,13.1318638]],"pbc":[true,true,true],"a":4.49900436,"b":8.544869569999998,"c":13.1318638,"alpha":90.92388343,"beta":8... | null | null | null | null | [
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0.015161876... | null | 1 | null | null | 0.860832 | 0.550237 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-cbd4dc59351e4fbbb6bace5194d3ba6e | Rb4 Te6 | Rb8 Te12 | Cmcm | 63 | 0.004657 | null | 1,064 | null | null | null | 0.20991 | 0.789239 | 0.579329 | 0.789239 | null | null | null | null | null | 0.015345 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.604623630872492,0.0,-0.0198333241108663],[1.2032773551665965,6.49500759326445,-0.0025694711729313],[0.0,0.0,10.06316882]],"pbc":[true,true,true],"a":6.60465341,"b":6.605528490000001,"c":10.06316882,"alpha":90.02228737,"beta":... | null | null | null | null | [
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0.0066648... | null | 1 | null | null | 0.89029 | 0.384175 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-5a5c18ee45914a66bd373f5e724ea5fd | Rb4 Te4 | Rb4 Te4 | Cmmm | 65 | 0.003868 | null | 1,064 | null | null | null | 1.31789 | 0.691091 | 0.6268 | 1.31789 | null | null | null | null | null | 0.018082 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.138638652192698,0.0,0.0063801315780014],[-0.0043736918776888,8.090768997031592,0.0120550148094506],[0.0,0.0,9.86680725]],"pbc":[true,true,true],"a":4.13864357,"b":8.09077916,"c":9.86680725,"alpha":89.914631,"beta":89.91167281... | null | null | null | null | [
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cd-251023-78c3f2a274c549cdb50752d34c8296f3 | Na2 S6 | Na1 S3 | Pm | 6 | 0.008362 | null | 1,064 | null | null | null | 1.776763 | 1.282161 | 0.494602 | 1.776763 | null | null | null | null | null | 0.019262 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.6545869444631953,0.0,-0.0081625441309315],[-0.0243579593969323,6.862288587089887,-0.1524773343311919],[0.0,0.0,7.75068298]],"pbc":[true,true,true],"a":3.65459606,"b":6.864025590000001,"c":7.75068298,"alpha":91.27287206,"beta"... | null | null | null | null | [
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cd-251023-554eaebc2e2f4b4fb01f49b700cfbed9 | Sn1 Sb6 Te2 | Sn1 Sb6 Te2 | P-3m1 | 164 | 0.00149 | null | 1,064 | null | null | null | 0.113945 | 1.093004 | 0.979059 | 1.093004 | null | null | null | null | null | 0.005948 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.410698928702627,0.0,0.0156716283817397],[-2.2070280628011587,3.8184158363179455,-0.0200590332858341],[0.0,0.0,17.07153038]],"pbc":[true,true,true],"a":4.41072677,"b":4.410405279999999,"c":17.07153038,"alpha":90.26058873,"beta... | null | null | null | null | [
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0.0608830... | null | 1 | null | null | 1.230666 | 5.448072 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-8ac6633e4a22441ab393952cb6f7ac5d | Te2 Mo4 S6 | Te2 Mo4 S6 | P1 | 1 | 0.008483 | null | 1,064 | null | null | null | 0.01403 | 0.76155 | 0.77558 | 0.77558 | null | null | null | null | null | 0.006693 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.232815394556384,0.0,-0.1585314694099039],[0.1040553427290507,5.4450397540643936,2.120393856567091],[0.0,0.0,26.30275674]],"pbc":[true,true,true],"a":3.23670011,"b":5.84425834,"c":26.30275674,"alpha":68.72672672,"beta":92.8074... | null | null | null | null | [
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0.18343272... | null | 6 | null | null | 0.727288 | 0.08647 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-280ead82d9bd47d896535d105f31fa6c | Na1 Nb3 Se1 O3 | Na1 Nb3 Se1 O3 | P4mm | 99 | 0.009642 | null | 1,064 | null | null | null | 0.001132 | 0.854873 | 0.856006 | 0.856006 | null | null | null | null | null | 0.014001 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.219380505869169,0.0,0.0114457271942444],[5.107103142e-6,4.218381941235197,-0.0024453334551594],[0.0,0.0,7.02202137]],"pbc":[true,true,true],"a":4.219396030000001,"b":4.21838265,"c":7.02202137,"alpha":90.03321351,"beta":89.844... | null | null | null | null | [
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cd-251023-228d4e9af4b34ac5b3447b01d3f9a17f | Nb4 O8 | Nb4 O8 | Pnma | 62 | 0.005659 | null | 1,064 | null | null | null | 1.032379 | 0.326607 | 1.358986 | 1.358986 | null | null | null | null | null | 0.021634 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.073726509356884,0.0,0.0000628770901396],[-0.0001640135976432,5.576090125448589,0.000154459342037],[0.0,0.0,7.7569273]],"pbc":[true,true,true],"a":3.0737265100000006,"b":5.576090129999999,"c":7.7569273,"alpha":89.99841289,"bet... | null | null | null | null | [
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cd-251023-541fa1c4172c4b78ad9e00aa5c27fd7c | Rb2 Te3 | Rb2 Te3 | P2/m | 10 | 0.005834 | null | 1,064 | null | null | null | 0.126629 | 1.013483 | 0.886854 | 1.013483 | null | null | null | null | null | 0.02306 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.349195269634257,0.0,0.0000625528503699],[0.0007088535250818,5.496657031432392,-0.0231863515734332],[0.0,0.0,7.71861161]],"pbc":[true,true,true],"a":5.34919527,"b":5.49670598,"c":7.71861161,"alpha":90.2416873,"beta":89.9993299... | null | null | null | null | [
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0.0057351... | null | 1 | null | null | 0.693869 | 0.346993 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-2da76a943dc54c9ebac9ac05139a0025 | Sn1 Hg1 Sb1 Te3 | Sn1 Hg1 Sb1 Te3 | P3m1 | 156 | 0.007006 | null | 1,064 | null | null | null | 0.079078 | 0.289767 | 0.368845 | 0.368845 | null | null | null | null | null | 0.012123 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.483220160496914,0.0,-0.0050101482196384],[-2.243362290615249,3.880569487610058,0.0064956715235382],[0.0,0.0,11.0509523]],"pbc":[true,true,true],"a":4.483222959999999,"b":4.48235832,"c":11.0509523,"alpha":89.916969,"beta":90.0... | null | null | null | null | [
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0.08163673... | null | 1 | null | null | 0.652202 | 3.148007 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-ef88f27661814f5eb0c7a991ade30b14 | K1 Rb1 Te2 | K2 Rb2 Te4 | Amm2 | 38 | 0.007434 | null | 1,064 | null | null | null | 0.991579 | 0.130448 | 0.86113 | 0.991579 | null | null | null | null | null | 0.019214 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.083801660023946,0.0,-0.0057086388557172],[-0.0000805985847013,6.168995290661272,-1.2391581369621407],[0.0,0.0,6.28765213]],"pbc":[true,true,true],"a":4.0838056499999995,"b":6.292218669999999,"c":6.28765213,"alpha":101.3577836... | null | null | null | null | [
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0.00608... | null | 1 | null | null | 0.787825 | 0.164309 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-7648fdf25dc3477fb925925d04c4e73c | B2 Se6 | B2 Se6 | P1 | 1 | 0.003695 | null | 1,064 | null | null | null | 0.373796 | 0.091981 | 0.465777 | 0.465777 | null | null | null | null | null | 0.092303 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.16546044887161,0.0,-0.4486366672746653],[-1.0617709847869226,7.478120863878042,1.26499648088955],[0.0,0.0,12.91374894]],"pbc":[true,true,true],"a":3.19709473,"b":7.658320010000001,"c":12.91374894,"alpha":80.49234536,"beta":98... | null | null | null | null | [
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0.01363... | null | 1 | null | null | 1.118729 | 0.30004 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-c7167f38346748caa21f19a82b0e3ad4 | K2 Rb2 Ta1 Te7 | K2 Rb2 Ta1 Te7 | Pm | 6 | 0.009246 | null | 1,064 | null | null | null | 2.792343 | 0.31959 | 2.472753 | 2.792343 | null | null | null | null | null | 0.019888 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.208227858949933,0.0,0.0000940097748395],[0.0036285991676664,7.236943622301659,0.0538126584046651],[0.0,0.0,15.93526454]],"pbc":[true,true,true],"a":4.20822786,"b":7.2371446,"c":15.93526454,"alpha":89.57396642,"beta":89.998720... | null | null | null | null | [
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0.041553... | null | 1 | null | null | 0.650975 | 0.372754 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-d5c7a57c722047dbb7f850d80b5179e5 | Cs1 La1 Te2 | Cs1 La1 Te2 | P-3m1 | 164 | 0 | null | 1,064 | null | null | null | 0.001806 | 0.181033 | 0.182839 | 0.182839 | null | null | null | null | null | 0.002214 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.701352558532203,0.0,0.013617471685888],[-2.3561763852293023,4.081901464266627,0.0063834324741296],[0.0,0.0,9.37840756]],"pbc":[true,true,true],"a":4.701372280000001,"b":4.713122899999999,"c":9.37840756,"alpha":89.922398830000... | null | null | null | null | [
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-0.0188... | null | 6 | null | null | 0.30226 | 0.079325 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-55074289fd294ce7bbf6c0f4e526dcb6 | Mo4 S8 | Mo4 S8 | P1 | 1 | 0.00951 | null | 1,064 | null | null | null | 0.246713 | 0.751278 | 0.504565 | 0.751278 | null | null | null | null | null | 0.008465 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1778719043851025,0.0,0.2398223001867422],[-0.0059194273659687,5.637296362543515,0.0787170013736086],[0.0,0.0,33.76427515]],"pbc":[true,true,true],"a":3.18690831,"b":5.63784903,"c":33.76427515,"alpha":89.19999658000002,"beta":... | null | null | null | null | [
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0.182846... | null | 6 | null | null | 0.705127 | 0.049208 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-9ce57f2f4a2043f5a45aa75a3b8760de | Sb8 | Sb8 | P2_1/m | 11 | 0.001373 | null | 1,064 | null | null | null | 0.783136 | 1.652072 | 0.868936 | 1.652072 | null | null | null | null | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.445333675698799,0.0,-0.0002164323182541],[1.6729170622078071,5.189998454491306,0.0000933656808466],[0.0,0.0,9.23279639]],"pbc":[true,true,true],"a":5.44533368,"b":5.45295658,"c":9.23279639,"alpha":89.99901898,"beta":90.002277... | null | null | null | null | [
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0.0354405... | null | 1 | null | null | 2.202236 | 6.489534 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-5d403ecdc97746e4b002d8579ab724a2 | Rb1 Sb9 Te1 As1 P1 | Rb1 Sb9 Te1 As1 P1 | P3m1 | 156 | 0.006722 | null | 1,064 | null | null | null | 0.024474 | 0.229854 | 0.20538 | 0.229854 | null | null | null | null | null | 0.019887 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.274130041779333,0.0,-0.0003946580795502],[-2.1376164450632484,3.701507989877192,0.0006498757819899],[0.0,0.0,26.30220624]],"pbc":[true,true,true],"a":4.27413006,"b":4.2744082500000005,"c":26.30220624,"alpha":89.99128882,"beta... | null | null | null | null | [
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0.03909042... | null | 1 | null | null | 0.887646 | 3.476938 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-655a9e89cfb74141a6b428257d30b0af | Rb4 Te6 | Rb8 Te12 | Cmc2_1 | 36 | 0 | null | 1,064 | null | null | null | 0.570952 | 0.245955 | 0.816907 | 0.816907 | null | null | null | null | null | 0.024929 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.2375110360054125,0.0,0.0035771276122252],[-2.2476252443742677,6.880066506986711,-0.0069378328117445],[0.0,0.0,8.70014882]],"pbc":[true,true,true],"a":7.23751192,"b":7.23789904,"c":8.70014882,"alpha":90.05492044,"beta":89.9716... | null | null | null | null | [
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0.009492920... | null | 1 | null | null | 0.959921 | 0.323047 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-2db63d9a64164f2fafecb9b319f9e4e9 | K3 Rb5 Te12 | K3 Rb5 Te12 | Pm | 6 | 0.000237 | null | 1,064 | null | null | null | 0.440529 | 1.519182 | 1.959711 | 1.959711 | null | null | null | null | null | 0.029948 | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[8.469979854352147,0.0,-0.0083396358470754],[0.000336138297788,8.615454188444659,0.0967508531695938],[0.0,0.0,11.55948591]],"pbc":[true,true,true],"a":8.469983959999999,"b":8.61599743,"c":11.55948591,"alpha":89.35660008000002,"b... | null | null | null | null | [
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0.02010919... | null | 1 | null | null | 0.834705 | 0.393939 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-fd4f0acef4534933846d86139cda68cb | K4 Se4 | K4 Se4 | Pmmn | 59 | 0 | null | 1,064 | 2.390168 | 1.881381 | 1.853425 | null | 0.037473 | 0.533746 | 0.533746 | -25.947275 | 0.014183 | 0.081828 | 0.013623 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.176840305328369,-0.0147400731220841,-0.0002584722242318],[-0.0147928446531296,5.323002815246582,-0.0036682828795165],[-0.0002645262284204,-0.0037555347662419,9.063089370727539]],"pbc":[true,true,true],"a":6.1768578981625115,"... | null | 0.036545 | 0.081828 | null | [
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cd-251023-4e749f7f6cdb4c5f8f16760c88c26070 | Bi1 Te1 I1 | Bi1 Te1 I1 | P3m1 | 156 | 0 | null | 1,064 | 3.976889 | 3.963266 | 3.364281 | null | 0.586129 | 0.599591 | 0.599591 | -9.683758 | 0.088587 | 0.08821 | 0.053741 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.287735939025879,-1.139022707939148,0.0287786908447742],[-1.1390279531478882,4.2717108726501465,-0.018226582556963],[0.0287720337510109,-0.0182501990348101,7.525679111480713]],"pbc":[true,true,true],"a":4.436539239662138,"b":4... | null | 0.076846 | 0.088587 | null | [
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0.07249700... | null | 1 | null | null | 0.434798 | 0.183181 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-21d4266b50d54e15b2bcec473e6b3dfe | K2 Hg2 Sb2 | K1 Hg1 Sb1 | P-6m2 | 187 | 0 | null | 1,064 | 4.804693 | 3.376515 | 3.329975 | null | 0.051943 | 1.746485 | 1.746485 | -13.238223 | 3.60305 | 0.926799 | 0.896343 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.655725955963135,0.8908695578575134,0.9095635414123535],[0.8908977508544922,7.136375427246094,1.1528611183166504],[0.9096107482910156,1.1529494524002075,7.11826753616333]],"pbc":[true,true,true],"a":4.826669512408392,"b":7.283... | null | 1.808731 | 3.60305 | null | [
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cd-251023-7c2987a17d1f4a8f896394e6aa29f47a | K4 Se6 | K4 Se6 | Pmmn | 59 | 0 | null | 1,064 | 2.600187 | 4.16684 | 1.926314 | null | 2.20689 | 0.66568 | 2.20689 | -33.134373 | 0.053612 | 0.589452 | 0.093728 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.540878772735596,0.0168259926140308,0.0115540530532598],[0.0168079305440187,7.687619686126709,0.0173492133617401],[0.0115663586184382,0.0174273997545242,9.604020118713379]],"pbc":[true,true,true],"a":4.540924645801792,"b":7.68... | null | 0.245597 | 0.589452 | null | [
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cd-251023-99ab1fbebeed4b93964971a8233ab7d4 | K6 B2 Se6 | K6 B2 Se6 | P2_1 | 4 | 0 | null | 1,064 | 2.068618 | 2.034199 | 2.162875 | null | 0.127737 | 0.093567 | 0.127737 | -53.390114 | 0.008967 | 0.008185 | 0.011258 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.695004463195801,0.0180745106190443,-0.0297799371182919],[0.0180163122713566,6.708140850067139,-0.8097770810127258],[-0.0298656113445759,-0.8097934126853943,10.466364860534668]],"pbc":[true,true,true],"a":6.695095092289622,"b"... | null | 0.00947 | 0.011258 | null | [
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cd-251023-f2769b4201d74f2f81e937f8579e3355 | Na6 As2 | Na6 As2 | P2_1/m | 11 | 0 | null | 1,064 | 2.94221 | 3.284517 | 3.198615 | null | 0.084072 | 0.368953 | 0.453025 | -20.63567 | 0.38743 | 1.359835 | 1.339752 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.618284702301025,0.0047676358371973,0.0010892977006733],[0.0047679068520665,7.206363201141357,-1.8822574615478516],[0.0010973219759762,-1.8822448253631592,7.320374965667725]],"pbc":[true,true,true],"a":4.618287291673032,"b":7.... | null | 1.029005 | 1.359835 | null | [
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cd-251023-1fe0ad141ece43bb99efd651553f7b32 | Rb4 As6 | Rb4 As6 | P1 | 1 | 0 | null | 1,064 | 1.804392 | 1.904245 | 1.30516 | null | 0.592654 | 0.484015 | 0.592654 | -35.798965 | 1.524281 | 1.67166 | 2.01098 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.273604393005371,0.8559716939926147,-0.0983002707362175],[0.8559614419937134,6.284112453460693,-0.1290359944105148],[-0.0982713475823402,-0.1290774345397949,9.020565032958984]],"pbc":[true,true,true],"a":6.332492602765493,"b":... | null | 1.73564 | 2.01098 | null | [
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-0.00099... | null | 1 | null | null | 0.750783 | 0.442213 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-129a758620d94285b379bd53ef6c594a | Sb2 Te3 | Sb2 Te3 | P-3m1 | 164 | 0 | null | 1,064 | 7.060195 | 7.03707 | 6.136444 | null | 0.926001 | 0.947418 | 0.947418 | -18.308907 | 1.368411 | 1.366037 | 0.954698 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.170990467071533,-1.100548505783081,-0.0122178755700588],[-1.1005347967147827,4.1635589599609375,0.0184300672262907],[-0.0120849432423711,0.0185412131249905,10.686234474182129]],"pbc":[true,true,true],"a":4.313759122443721,"b"... | null | 1.229715 | 1.368411 | null | [
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0.0829839004... | null | 1 | null | null | 1.029931 | 2.291242 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-a510f79dc5c848e4b92f9708a35bb73c | Sr1 B2 Se4 | Sr2 B4 Se8 | I422 | 97 | 0 | null | 1,064 | 2.497434 | 2.678081 | 2.497374 | null | 0.179936 | 0.00006 | 0.179936 | -33.719273 | 0.008869 | 0.010959 | 0.008849 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.90042781829834,-1.290516972541809,0.4646106064319611],[-1.2906012535095215,5.162144660949707,-1.3096727132797241],[0.4645912349224091,-1.3096572160720825,5.904460430145264]],"pbc":[true,true,true],"a":6.057750862405655,"b":5.... | null | 0.009559 | 0.010959 | null | [
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0.02799318... | null | 1 | null | null | 0.365294 | -0.011881 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-2441e25c80ec4ec1919b3297ddec993c | Y3 Se4 | Y6 Se8 | Cmmm | 65 | 0 | null | 1,064 | 2.651546 | 2.663813 | 2.662548 | null | 0.001455 | 0.006776 | 0.008232 | -46.541622 | 0.136373 | 0.082457 | 0.081632 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.15528678894043,-0.012496423907578,0.0085955634713173],[-0.0124624045565724,7.0544657707214355,-1.1301685571670532],[0.0085505694150925,-1.130183458328247,6.999279975891113]],"pbc":[true,true,true],"a":4.155314469768171,"b":7.... | null | 0.100154 | 0.136373 | null | [
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0.0548513... | null | 1 | null | null | 0.128483 | 0.118772 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-8c77dfea72b84aea90c511150c41b5b6 | Rb4 Ge4 Sb4 | Rb4 Ge4 Sb4 | Pnma | 62 | 0 | null | 1,064 | 3.588758 | 3.298852 | 3.059954 | null | 0.251351 | 0.449335 | 0.449335 | -42.355743 | 0.754244 | 0.252633 | 0.473095 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.386970043182373,0.0067456783726811,-0.0092000691220164],[0.0069241421297193,8.027000427246094,-0.020129119977355],[-0.0090765645727515,-0.0200864020735025,13.086715698242188]],"pbc":[true,true,true],"a":4.386984876339114,"b":... | null | 0.493324 | 0.754244 | null | [
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cd-251023-51ce5826888d4dfd882c761f6d18598b | Na2 Ca2 Sb2 | Na2 Ca2 Sb2 | P6_3/mmc | 194 | 0 | null | 1,064 | 3.738926 | 3.715771 | 3.85693 | null | 0.126015 | 0.103288 | 0.126015 | -19.58111 | 0.104241 | 0.100289 | 0.181141 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.2898759841918945,-1.4148056507110596,0.002779844449833],[-1.4147560596466064,5.253493785858154,0.0286500528454781],[0.002830340526998,0.0286261178553104,6.65715217590332]],"pbc":[true,true,true],"a":5.475807765521839,"b":5.44... | null | 0.128557 | 0.181141 | null | [
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0.011969088... | null | 1 | null | null | 0.146882 | 0.432995 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-773227804f0c4cf1911014d63fce6501 | Cs6 B2 As4 | Cs6 B2 As4 | Cm | 8 | 0 | null | 1,064 | 2.601778 | 2.130155 | 2.544577 | null | 0.406381 | 0.053759 | 0.46014 | -41.084927 | 0.056135 | 0.019013 | 0.044408 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.788793563842773,-0.0360002741217613,-0.7447077035903931],[-0.0359811931848526,6.664304256439209,0.0041918680071831],[-0.7446753978729248,0.0042331609874964,11.081075668334961]],"pbc":[true,true,true],"a":7.824397150176002,"b"... | null | 0.039852 | 0.056135 | null | [
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-0.1... | null | 1 | null | null | 0.42759 | 0.257792 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-55c7226773484dd6a7695d99e60e6eca | K2 Na4 Sb2 | K2 Na4 Sb2 | P2_1/m | 11 | 0 | null | 1,064 | 3.131761 | 3.370319 | 3.017393 | null | 0.352735 | 0.062809 | 0.352735 | -19.219456 | 0.596007 | 1.200895 | 0.944226 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.1962103843688965,0.0050315577536821,-0.0163211598992348],[0.0049093132838607,7.623711109161377,-1.797716498374939],[-0.0164070259779692,-1.797730803489685,8.566548347473145]],"pbc":[true,true,true],"a":5.196238452520923,"b":7... | null | 0.913709 | 1.200895 | null | [
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-0.06... | null | 1 | null | null | 1.001439 | 0.936116 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-82d0a7bbc2c948388dba843be51f7070 | K4 Na2 Sb2 | K4 Na2 Sb2 | P2_1/m | 11 | 0 | null | 1,064 | 2.863904 | 2.792558 | 2.775256 | null | 0.041807 | 0.034595 | 0.041807 | -18.841011 | 0.591902 | 1.115071 | 1.089287 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.325178146362305,0.0031216943170875,0.0063182059675455],[0.0030980289448053,8.300960540771484,-1.6306803226470947],[0.0063174217939377,-1.6307886838912964,8.50855827331543]],"pbc":[true,true,true],"a":5.325182809556563,"b":8.4... | null | 0.932086 | 1.115071 | null | [
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-0.056... | null | 1 | null | null | 0.875658 | 0.870405 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-7ca9317b63c3417ead7c6a5b9ae128f1 | Cs6 Te3 I1 | Cs12 Te6 I2 | Amm2 | 38 | 0 | null | 1,064 | 1.941874 | 1.943102 | 1.563455 | null | 0.401201 | 0.399889 | 0.401201 | -27.038364 | 0.043309 | 0.042973 | 0.119543 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.332911014556885,-1.7152167558670044,-0.0027352396864444],[-1.7152875661849976,6.3209452629089355,-0.0149652371183038],[-0.0026850763242692,-0.0150116784498096,15.177436828613281]],"pbc":[true,true,true],"a":6.561077496832284,... | null | 0.068608 | 0.119543 | null | [
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cd-251023-5e268a54ba214915a32ca1363f227c7c | Cs1 Na1 Hg1 Te2 | Cs2 Na2 Hg2 Te4 | I-4m2 | 119 | 0 | null | 1,064 | 3.513019 | 3.509661 | 3.060733 | null | 0.422803 | 0.425208 | 0.425208 | -12.391765 | 0.424621 | 0.425696 | 0.564081 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.82077693939209,-0.0611255466938019,-0.8796637058258057],[-0.0610363408923149,4.80793571472168,-0.906128466129303],[-0.8795862197875977,-0.9061486721038818,8.595803260803223]],"pbc":[true,true,true],"a":4.9007586011943465,"b":... | null | 0.471466 | 0.564081 | null | [
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cd-251023-a15b94d2d1764df48dc99366cdd22457 | K4 Rb4 Te4 | K4 Rb4 Te4 | Pnma | 62 | 0 | null | 1,064 | 2.185685 | 2.186422 | 2.186311 | null | 0.00051 | 0.001065 | 0.001065 | -33.095734 | 0.017798 | 0.018523 | 0.015963 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.5109028816223145,-0.0030997216235846,-0.0131786139681935],[-0.0030820823740214,9.238743782043457,-0.0206150561571121],[-0.013160677626729,-0.0206379406154156,10.54315185546875]],"pbc":[true,true,true],"a":5.510919510826972,"b... | null | 0.017428 | 0.018523 | null | [
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-0.0... | null | 1 | null | null | -0.040326 | 0.148067 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-889300289e5d4c75b33417d181a98529 | Cs8 Te4 | Cs8 Te4 | Pnma | 62 | 0 | null | 1,064 | 2.197379 | 2.203361 | 2.227662 | null | 0.024494 | 0.030262 | 0.030262 | -31.394419 | 0.016588 | 0.01736 | 0.016609 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.882485866546631,0.0221716351807117,-0.0283366050571203],[0.0221744067966938,9.796804428100586,0.0197961740195751],[-0.0282576270401478,0.0198129862546921,11.732182502746582]],"pbc":[true,true,true],"a":5.882595899321457,"b":9... | null | 0.016852 | 0.01736 | null | [
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-0.12516... | null | 1 | null | null | 0.157807 | 0.173581 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-500febbfaa4d4f629850f6aebe13e3ea | B1 P1 Se4 | B2 P2 Se8 | Cmm2 | 35 | 0 | null | 1,064 | 2.545154 | 2.08797 | 2.085643 | null | 0.002187 | 0.457787 | 0.457787 | -26.658392 | 0.01442 | 0.0108 | 0.010404 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.608117580413818,0.0359756648540497,-0.0258965957909822],[0.0359711498022079,6.078793048858643,-0.1465183943510056],[-0.0258976723998785,-0.1464845389127731,6.174853801727295]],"pbc":[true,true,true],"a":5.608292759644578,"b":... | null | 0.011875 | 0.01442 | null | [
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cd-251023-2c83bff47c434cf89eeee1099416ce76 | Cs6 As2 | Cs6 As2 | P6_3/m | 176 | 0 | null | 1,064 | 2.722739 | 2.376856 | 2.389249 | null | 0.012725 | 0.258844 | 0.27157 | -16.567501 | 0.543791 | 1.035927 | 1.024213 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.718019008636475,0.0066906427964568,-0.0042903497815132],[0.0066759334877133,9.281837463378906,-2.4936110973358154],[-0.0042177294380963,-2.493577241897583,9.384659767150879]],"pbc":[true,true,true],"a":5.71802453255758,"b":9.... | null | 0.867977 | 1.035927 | null | [
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cd-251023-1407f2b9e5b445d390170a5faa2ecd5c | Li2 Mg2 Sb2 | Li4 Mg4 Sb4 | F-43m | 216 | 0 | null | 1,064 | 3.53555 | 3.542701 | 3.390974 | null | 0.150335 | 0.143102 | 0.150335 | -18.475605 | 0.056667 | 0.055932 | 0.052035 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.688492774963379,0.0079843755811453,-0.0123534174636006],[0.0079179843887687,4.7041192054748535,0.008288512006402],[-0.0122969141229987,0.0082910228520632,6.640537738800049]],"pbc":[true,true,true],"a":4.688515848118705,"b":4.... | null | 0.054878 | 0.056667 | null | [
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0.0024... | null | 1 | null | null | 0.126331 | 0.010717 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-510aae70a5234b3c840880f0046d541e | Cs6 B2 P4 | Cs6 B2 P4 | Pbam | 55 | 0 | null | 1,064 | 2.133457 | 2.518308 | 2.499638 | null | 0.018448 | 0.364067 | 0.382515 | -44.889713 | 0.036584 | 0.162093 | 0.164284 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.472002029418945,-0.0179680474102497,-0.012606555595994],[-0.0178968664258718,9.48824691772461,0.0090479599311948],[-0.0126307960599661,0.0090491380542517,9.352132797241211]],"pbc":[true,true,true],"a":5.472046051152785,"b":9.... | null | 0.120987 | 0.164284 | null | [
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-0.1... | null | 1 | null | null | 0.362925 | 0.048036 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-6c51e7da1a0e417c9f4dae7a163e0185 | Sr2 Sb4 | Sr2 Sb4 | P2_1/m | 11 | 0 | null | 1,064 | 4.206662 | 4.104466 | 4.377082 | null | 0.265236 | 0.197341 | 0.265236 | -23.861303 | 2.515593 | 1.708139 | 2.022683 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.379627704620361,0.00345339323394,0.0071314028464258],[0.0034522786736488,4.789048194885254,-0.9097930788993835],[0.0071624019183218,-0.9098358154296875,9.383279800415039]],"pbc":[true,true,true],"a":4.379634872213619,"b":4.87... | null | 2.082138 | 2.515593 | null | [
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0.044... | null | 1 | null | null | 0.639837 | 1.676102 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-15412ab502ed4b3598f9c13b4b9bfcf8 | K1 Hg1 Sb1 | K1 Hg1 Sb1 | P-6m2 | 187 | 0.000001 | null | 1,064 | 5.278541 | 5.01148 | 2.408072 | null | 2.692605 | 2.983946 | 2.983946 | -6.619105 | 2.026867 | 1.770884 | 0.022653 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6875996589660645,-1.2409428358078003,-0.0065642101690173],[-1.2409288883209229,4.707730293273926,0.0048541794531047],[-0.0065692430362105,0.004808459430933,5.369601726531982]],"pbc":[true,true,true],"a":4.849079580016873,"b":... | null | 1.273468 | 2.026867 | null | [
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-0.... | null | 1 | null | null | 3.836201 | 1.23245 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-13f2d7f4446d49658d2684622885d8f4 | K6 As1 P1 | K6 As1 P1 | P-6 | 174 | 0 | null | 1,064 | 2.426235 | 2.831596 | 2.829614 | null | 0.003975 | 0.451682 | 0.455657 | -19.138084 | 0.535459 | 1.31154 | 1.28954 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.204133987426758,-0.0004853331483901,0.0222344808280468],[-0.0005075223743916,8.38400936126709,-2.2236287593841553],[0.0223455410450697,-2.2236313819885254,8.416604042053223]],"pbc":[true,true,true],"a":5.204181507862335,"b":8... | null | 1.045513 | 1.31154 | null | [
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-0.01276267494... | null | 1 | null | null | 0.411858 | 1.019462 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-bc5ca1d4727f40f799836b027ed908aa | K3 Ta1 Se4 | K9 Ta3 Se12 | R3m | 160 | 0 | null | 1,064 | 2.301195 | 2.301956 | 2.300782 | null | 0.001154 | 0.000414 | 0.001154 | -38.005669 | 0.014167 | 0.014162 | 0.014126 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.671089172363281,-0.8843061327934265,-0.8831368088722229],[-0.8843329548835754,6.668832778930664,-0.8613809943199158],[-0.8831431865692139,-0.8614164590835571,6.660205364227295]],"pbc":[true,true,true],"a":6.787146580508165,"b... | null | 0.014151 | 0.014167 | null | [
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0.005637... | null | 1 | null | null | 0.116123 | 0.120096 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-39b499e9399749ec88aeea59c0861d25 | Rb4 Te8 | Rb4 Te8 | Pnma | 62 | 0 | null | 1,064 | 5.024899 | 3.935355 | 3.361938 | null | 0.580465 | 1.609837 | 1.609837 | -35.942829 | 1.035623 | 0.530867 | 0.380956 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.326570510864258,0.0078340917825699,0.0041478350758553],[0.0079675521701574,8.32304573059082,0.0648568868637085],[0.0042357770726085,0.0649311169981956,13.422821998596191]],"pbc":[true,true,true],"a":4.3265795916647685,"b":8.3... | null | 0.649149 | 1.035623 | null | [
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0.036899... | null | 1 | null | null | 1.308092 | 0.740888 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-12ffe371b24c473b814aa2a4df8fada8 | Na2 Y2 Te4 | Na3 Y3 Te6 | R-3m | 166 | 0 | null | 1,064 | 3.269448 | 2.820914 | 3.120144 | null | 0.294456 | 0.146994 | 0.44145 | -38.736668 | 0.047867 | 0.023627 | 0.039982 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.457003593444824,0.0034823641180992,0.0074595073238015],[0.0034372918307781,7.914300441741943,-1.3022068738937378],[0.0074047837406397,-1.302168369293213,7.586101531982422]],"pbc":[true,true,true],"a":4.457011196204183,"b":8.0... | null | 0.037159 | 0.047867 | null | [
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0.03380420... | null | 1 | null | null | 0.252171 | 0.072382 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-de41626a0fd846a699a1f69e763b3a66 | Cs8 Te4 | Cs8 Te4 | Pnma | 62 | 0.000001 | null | 1,064 | 2.202707 | 2.206295 | 2.237774 | null | 0.031502 | 0.034893 | 0.034893 | -31.394291 | 0.014755 | 0.015433 | 0.015283 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.859408855438232,-0.0045408839359879,0.0036856131628156],[-0.0045197708532214,9.688413619995117,-0.0246967151761055],[0.0036938642151654,-0.0247198268771172,11.512506484985352]],"pbc":[true,true,true],"a":5.8594117741083265,"b... | null | 0.015157 | 0.015433 | null | [
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-0.1223... | null | 1 | null | null | 0.157426 | 0.163745 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-b8845c499f064030a83df3b956b09f42 | Cs4 Rb4 Te4 | Cs4 Rb4 Te4 | Pnma | 62 | 0 | null | 1,064 | 2.182556 | 2.190269 | 2.197773 | null | 0.008032 | 0.015514 | 0.015514 | -32.017948 | 0.018694 | 0.01945 | 0.01754 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.823000907897949,0.0023670641239733,0.008419631049037],[0.002462481148541,9.765584945678711,0.0016233394853771],[0.0083562023937702,0.0016283463919535,11.204756736755371]],"pbc":[true,true,true],"a":5.823007476086555,"b":9.765... | null | 0.018561 | 0.01945 | null | [
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-0.08... | null | 1 | null | null | 0.194317 | 0.148825 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-2b2211c4496a4b11a1f9ea2737ac9a26 | K4 Rb4 Te4 | K4 Rb4 Te4 | Pnma | 62 | 0 | null | 1,064 | 2.189355 | 2.189863 | 2.18728 | null | 0.001898 | 0.001527 | 0.001898 | -33.095718 | 0.019321 | 0.019956 | 0.017099 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.545017242431641,0.0231751725077629,0.0170876421034336],[0.0232224818319082,9.331596374511719,-0.0186094529926777],[0.0171166695654392,-0.0186257623136044,10.564677238464355]],"pbc":[true,true,true],"a":5.545092000589134,"b":9... | null | 0.018792 | 0.019956 | null | [
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-0.02... | null | 1 | null | null | -0.008591 | 0.154597 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-4a84b4cb0a254f16ab9649ba0ddc0a60 | Na1 Sb2 As2 | Na3 Sb6 As6 | R-3m | 166 | 0 | null | 1,064 | 4.232571 | 4.235552 | 3.820152 | null | 0.53791 | 0.537615 | 0.53791 | -19.725683 | 2.08599 | 2.055553 | 0.85689 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.867039203643799,1.0088118314743042,0.5697252154350281],[1.0088567733764648,3.8703150749206543,0.5360451340675354],[0.5697351098060608,0.5360439419746399,9.751322746276855]],"pbc":[true,true,true],"a":4.036865161848126,"b":4.0... | null | 1.666144 | 2.08599 | null | [
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0.04230... | null | 1 | null | null | 0.296734 | 1.996482 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-7056c0c0c2d44896bff774eeb5002e7e | K8 Te4 | K8 Te4 | Pnma | 62 | 0 | null | 1,064 | 2.213293 | 2.202882 | 2.200467 | null | 0.001459 | 0.011988 | 0.011988 | -33.616901 | 0.019089 | 0.01977 | 0.016019 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.329925060272217,-0.0032413154840469,-0.0056371372193098],[-0.0031948480755091,8.908435821533203,-0.0528058260679245],[-0.0056443978101015,-0.0528343319892883,10.669960975646973]],"pbc":[true,true,true],"a":5.329929026878302,"... | null | 0.018293 | 0.01977 | null | [
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0.00911642035156559,
-0.0045... | null | 1 | null | null | 0.051417 | 0.162835 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-3df14f3ae6d7467bb748968b8274db29 | Cs6 Te2 Se1 | Cs6 Te2 Se1 | P-62m | 189 | 0 | null | 1,064 | 2.228309 | 2.23858 | 2.238245 | null | 0.000314 | 0.011948 | 0.012262 | -24.068029 | 0.02567 | 0.015523 | 0.015481 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.612764358520508,0.0123680522665381,0.011208769865334],[0.0123204747214913,9.375560760498047,-2.496342420578003],[0.0113579099997878,-2.496347188949585,9.387640953063965]],"pbc":[true,true,true],"a":5.612789177362436,"b":9.702... | null | 0.018891 | 0.02567 | null | [
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0.029017862587183904,
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-0.120... | null | 1 | null | null | 0.174378 | 0.189131 | crystal-diffusers | test_08-25_11-04/epoch=114-step=1840.ckpt |
cd-251023-eef020f1d2c14a5d8c7fa5af9f7a2f90 | Cs3 Ga2 As2 | Cs6 Ga4 As4 | Immm | 71 | 0 | null | 1,064 | 3.857143 | 2.474005 | 3.288584 | null | 0.880288 | 0.476993 | 1.357281 | -20.65731 | 0.291978 | 0.129224 | 1.020728 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.210829734802246,-0.0533870607614517,-0.5966859459877014],[-0.0534243732690811,5.868900775909424,-1.0512830018997192],[-0.5966376066207886,-1.0512641668319702,11.010831832885742]],"pbc":[true,true,true],"a":4.253230695822969,"... | null | 0.480643 | 1.020728 | null | [
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-0.... | null | 1 | null | null | 0.850695 | 0.414127 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-a041870e40704b90a3938139b87317c1 | K2 B2 Se4 | K4 B4 Se8 | C2/c | 15 | 0 | null | 1,064 | 2.356111 | 2.174429 | 2.174613 | null | 0.000161 | 0.181139 | 0.1813 | -34.462582 | 0.007555 | 0.006324 | 0.006323 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.365096569061279,-0.711222231388092,-0.744045078754425],[-0.711218535900116,6.60777473449707,-1.5611079931259155],[-0.7440353035926819,-1.5611293315887451,6.625553607940674]],"pbc":[true,true,true],"a":5.462938891932843,"b":6.... | null | 0.006734 | 0.007555 | null | [
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0.0347847380066213,
-0.0099... | null | 1 | null | null | 0.233118 | 0.027183 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-003c280e8a1f41d1b8082d7fc5a1f584 | Rb4 Se6 | Rb8 Se12 | Cmme | 67 | 0 | null | 1,064 | 2.289226 | 2.287431 | 2.294629 | null | 0.00522 | 0.003443 | 0.00522 | -32.638153 | 0.043071 | 0.042908 | 0.026845 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.751045227050781,-0.3384899497032166,0.0251777730882168],[-0.3383272588253021,6.730153560638428,0.0079193226993084],[0.025148494169116,0.0079243294894695,8.9396390914917]],"pbc":[true,true,true],"a":6.7595725474317465,"b":6.73... | null | 0.037608 | 0.043071 | null | [
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-0... | null | 1 | null | null | 0.813171 | 0.149995 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-c1e6fbc0274e4e139f5052059d83de74 | Rb3 Sb1 Te3 | Rb6 Sb2 Te6 | Cm | 8 | 0 | null | 1,064 | 2.284752 | 2.69513 | 2.693813 | null | 0.001341 | 0.405203 | 0.406544 | -21.771275 | 0.028165 | 0.037753 | 0.037827 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.990979194641113,0.0224699396640062,-0.0131124807521701],[0.0223973859101534,8.501324653625488,-2.2145354747772217],[-0.0131602548062801,-2.214519500732422,8.501899719238281]],"pbc":[true,true,true],"a":4.991047000047228,"b":8... | null | 0.034582 | 0.037827 | null | [
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0.02403720345411297,
-0.01... | null | 1 | null | null | 0.397272 | 0.124182 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-d05dde4029764569aa7884d2e9d3044d | Rb3 Tl3 Te3 | Rb3 Tl3 Te3 | P-62m | 189 | 0 | null | 1,064 | 2.544894 | 2.996293 | 2.996379 | null | 0.00205 | 0.259448 | 0.259448 | -25.44322 | 1.606295 | 0.261857 | 0.268307 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.572403430938721,0.0113446963950992,-0.0123110031709075],[0.0113357556983829,8.511734008789062,-2.293973922729492],[-0.0123380739241838,-2.2939205169677734,8.543889999389648]],"pbc":[true,true,true],"a":5.572428578283709,"b":8... | null | 0.712153 | 1.606295 | null | [
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-0.020... | null | 1 | null | null | 0.370117 | 0.355291 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-bd30ef495d9c46c4a46c25fb9849e12f | Sb2 Se3 | Sb2 Se3 | P-3m1 | 164 | 0 | null | 1,064 | 5.776338 | 5.81225 | 4.14637 | null | 1.526708 | 1.47292 | 1.526708 | -20.086168 | 2.213409 | 2.263813 | 2.682141 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.67257022857666,-1.2477134466171265,0.0065653622150421],[-1.2476580142974854,4.703927040100098,0.0110649578273296],[0.006626958027482,0.0110602742061019,7.23419189453125]],"pbc":[true,true,true],"a":4.836294499907046,"b":4.866... | null | 2.386455 | 2.682141 | null | [
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0.030396990... | null | 1 | null | null | 1.329413 | 1.356523 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-4e22c383ffb74ad9b82c242f7ad5b5ae | Cs1 Te2 | Cs2 Te4 | Cmmm | 65 | 0 | null | 1,064 | 2.87947 | 2.402851 | 2.034523 | null | 0.36507 | 0.838135 | 0.838135 | -8.992964 | 0.046311 | 0.026365 | 0.019562 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.0999755859375,-1.2813994884490967,0.0294865779578686],[-1.2813860177993774,5.595381259918213,-0.0246259178966284],[0.0295087173581123,-0.0246721208095551,5.262938022613525]],"pbc":[true,true,true],"a":5.2585744346196925,"b":5... | null | 0.030746 | 0.046311 | null | [
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-0.02... | null | 1 | null | null | 0.941168 | 0.53057 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-23456051758a4afba08e4f4eb0859a62 | K4 Te2 Se4 | K8 Te4 Se8 | Cmc2_1 | 36 | 0 | null | 1,064 | 3.256087 | 3.250978 | 3.686404 | null | 0.395314 | 0.390025 | 0.395314 | -32.645432 | 0.687896 | 0.685025 | 0.699055 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.6490397453308105,-1.131579875946045,0.0117212384939194],[-1.1316301822662354,6.636038303375244,0.0088783577084541],[0.0116709973663092,0.0088430531322956,8.031240463256836]],"pbc":[true,true,true],"a":6.74465269217524,"b":6.7... | null | 0.690659 | 0.699055 | null | [
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0.0217... | null | 1 | null | null | 0.782273 | 0.362969 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-a2cddf7104a1447793f13207a2dd480d | In2 P2 Se8 | In2 P2 Se8 | P-42_1m | 113 | 0 | null | 1,064 | 3.230411 | 3.225495 | 2.989096 | null | 0.2274 | 0.232212 | 0.232212 | -47.367676 | 0.206537 | 0.211223 | 0.052859 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.5472941398620605,-0.0057296613231301,0.012713722884655],[-0.0058426922187209,5.503908634185791,-0.005990500561893],[0.0125969648361206,-0.0059550642035902,11.702199935913086]],"pbc":[true,true,true],"a":5.547311667998872,"b":... | null | 0.156873 | 0.211223 | null | [
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-0.01... | null | 1 | null | null | 0.199274 | 0.202761 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-b8372aa217c743b590ea733f81660ba1 | K4 Rb2 Sb2 | K4 Rb2 Sb2 | P6_3mc | 186 | 0 | null | 1,064 | 3.266594 | 3.268564 | 3.367467 | null | 0.120784 | 0.122963 | 0.122963 | -17.772846 | 0.531165 | 0.534241 | 0.728723 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.049755573272705,-1.627630352973938,-0.0351988486945629],[-1.6276229619979858,6.047814846038818,0.0012443179730326],[-0.0350842662155628,0.001168244285509,11.320624351501465]],"pbc":[true,true,true],"a":6.264979012033132,"b":6... | null | 0.598043 | 0.728723 | null | [
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-0.0659499... | null | 1 | null | null | 0.317236 | 0.688278 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-1e8dbc13f05749bf8111a0461674389b | Na4 Sb4 | Na8 Sb8 | C2/m | 12 | 0 | null | 1,064 | 3.908621 | 2.910637 | 2.929431 | null | 0.0195 | 1.00455 | 1.024051 | -24.295717 | 0.741093 | 1.080743 | 1.078178 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.254725933074951,-1.6992853879928589,-1.6893891096115112],[-1.6992911100387573,6.464864730834961,-0.404787003993988],[-1.6893328428268433,-0.404772013425827,6.433599948883057]],"pbc":[true,true,true],"a":6.697999917243978,"b":... | null | 0.966671 | 1.080743 | null | [
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-0.00572229... | null | 1 | null | null | 0.497792 | 1.438382 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-8db91d89ff1b445e87b5f0030be73b86 | Bi1 Te1 Br1 | Bi1 Te1 Br1 | P3m1 | 156 | 0 | null | 1,064 | 3.731053 | 3.731099 | 3.05181 | null | 0.671525 | 0.671534 | 0.671534 | -10.192072 | 0.07652 | 0.0768 | 0.036683 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.197868824005127,-1.1005572080612183,-0.0066949492320418],[-1.1005598306655884,4.196885585784912,-0.003519827965647],[-0.0067205643281341,-0.0034807133488357,7.226512908935547]],"pbc":[true,true,true],"a":4.339743500958889,"b"... | null | 0.063335 | 0.0768 | null | [
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0.043662... | null | 1 | null | null | 0.420179 | 0.053559 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-000cb83034234138a4dc9e514c56584e | K3 Tl3 Te3 | K3 Tl3 Te3 | P-62m | 189 | 0 | null | 1,064 | 1.990136 | 3.014588 | 3.017558 | null | 0.003766 | 0.950649 | 0.950649 | -25.830496 | 1.248055 | 0.305846 | 0.312504 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.443014621734619,-0.0038854633457959,-0.0141447456553578],[-0.0038974813651294,8.473621368408203,-2.24603009223938],[-0.0140804257243872,-2.246006965637207,8.493844032287598]],"pbc":[true,true,true],"a":5.443034387459988,"b":8... | null | 0.622135 | 1.248055 | null | [
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-0.0... | null | 1 | null | null | 0.678311 | 0.38541 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-ef1af6c41d954d9fbe3024687869d809 | La2 Te3 | La2 Te3 | P-3m1 | 164 | 0 | null | 1,064 | 3.103457 | 3.105075 | 3.090862 | null | 0.019224 | 0.018235 | 0.019224 | -27.076668 | 0.130564 | 0.127646 | 0.071598 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.0149736404418945,-1.3695014715194702,-0.009783087298274],[-1.3694946765899658,4.991663932800293,0.0108045311644673],[-0.0098361540585756,0.0107957040891051,8.347159385681152]],"pbc":[true,true,true],"a":5.198614296484989,"b":... | null | 0.109936 | 0.130564 | null | [
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0.056281823... | null | 6 | null | null | 0.224657 | 0.318013 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-16c92c57fa234c4caa6bb3d26fe8575d | Hf2 Zr1 N3 | Hf2 Zr1 N3 | P3m1 | 156 | 0.000001 | null | 1,064 | 0.869864 | 0.934853 | 1.799635 | null | 0.905941 | 0.970967 | 0.970967 | -63.88842 | 4.589048 | 4.540765 | 3.790684 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.172653913497925,-0.8288552761077881,0.0045183389447629],[-0.8288198709487915,3.151268243789673,0.008693091571331],[0.0046131238341331,0.0086662201210856,7.8803510665893555]],"pbc":[true,true,true],"a":3.2791392680019302,"b":3... | null | 4.306833 | 4.589048 | null | [
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0.1127071... | null | 6 | null | null | 0.513479 | 4.95118 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-037fff95bdd5456aa51b9e25e4e1336d | Ca1 Hf1 N2 | Ca1 Hf1 N2 | P3m1 | 156 | 0 | null | 1,064 | 3.047137 | 3.046234 | 2.827187 | null | 0.216246 | 0.21712 | 0.21712 | -34.997658 | 0.029076 | 0.02897 | 0.019684 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1948442459106445,-0.8617063164710999,0.0069030774757266],[-0.8616442680358887,3.199167490005493,-0.0137213338166475],[0.0067963004112244,-0.013700058683753,6.699592113494873]],"pbc":[true,true,true],"a":3.3090202755427747,"b"... | null | 0.02591 | 0.029076 | null | [
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0.04... | null | 6 | null | null | 0.127186 | 1.353557 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-b709420c12f64bcc98e02d6790186609 | La3 Te1 As2 | La3 Te1 As2 | P-3m1 | 164 | 0 | null | 1,064 | 2.795046 | 2.79864 | 2.562859 | null | 0.212207 | 0.208839 | 0.212207 | -37.023247 | 0.341587 | 0.337325 | 0.871175 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.258589744567871,-1.1343244314193726,-0.0176848750561476],[-1.1342781782150269,4.268842697143555,0.0140988659113646],[-0.0176447592675686,0.0141740497201681,10.946491241455078]],"pbc":[true,true,true],"a":4.407106906243515,"b"... | null | 0.516696 | 0.871175 | null | [
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0.0538... | null | 6 | null | null | 0.427701 | 0.634182 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-898168e2eeda473e82be60cee3700d85 | La3 S1 N2 | La3 S1 N2 | P-3m1 | 164 | 0 | null | 1,064 | 2.662915 | 2.668191 | 2.039924 | null | 0.524439 | 0.51927 | 0.524439 | -45.237103 | 0.284988 | 0.271008 | 2.571885 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.7328364849090576,-1.006322979927063,-0.0008867620490491],[-1.0063289403915405,3.7563376426696777,0.0068438490852714],[-0.0009453687816858,0.0068303653970361,9.718361854553223]],"pbc":[true,true,true],"a":3.866103328849919,"b"... | null | 1.042627 | 2.571885 | null | [
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0.0388446... | null | 6 | null | null | 0.574682 | 0.918691 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-8bda6cdea54c49dcb593a4075707824e | K1 Mo2 N4 | K2 Mo4 N8 | Cm | 8 | 0 | null | 1,064 | 3.161012 | 3.208749 | 3.150039 | null | 0.062083 | 0.011693 | 0.062083 | -58.442398 | 0.700567 | 0.683865 | 0.706928 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8188581466674805,-1.415557861328125,1.443662166595459],[-1.4155133962631226,5.839023113250732,-1.419586420059204],[1.443540334701538,-1.4195411205291748,5.8102264404296875]],"pbc":[true,true,true],"a":6.160119693728804,"b":6.... | null | 0.69712 | 0.706928 | null | [
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0.07791... | null | 6 | null | null | 0.044207 | 0.591537 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-2722a7c726c642b3b042736ba13486db | Li1 Bi1 S2 | Li1 Bi1 S2 | P3m1 | 156 | 0 | null | 1,064 | 3.426205 | 3.420011 | 3.038464 | null | 0.378871 | 0.385036 | 0.385036 | -16.970016 | 0.035783 | 0.035672 | 0.023713 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9083964824676514,-1.039427638053894,-0.0007339250296354],[-1.0395206212997437,3.8996400833129883,-0.0121344262734056],[-0.0006894408725202,-0.0121625950559974,6.751103401184082]],"pbc":[true,true,true],"a":4.044251898381424,"... | null | 0.031723 | 0.035783 | null | [
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0.02763922... | null | 6 | null | null | 0.242927 | 0.09696 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-f48d24de4f494723895b2776acbfa2d1 | Hf4 C1 | Hf4 C1 | P3m1 | 156 | 0 | null | 1,064 | 4.206947 | 4.215606 | 4.895402 | null | 0.691736 | 0.708087 | 0.708087 | -50.892544 | 3.135076 | 3.114392 | 4.516422 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.141045331954956,-0.8483264446258545,-0.0014234716072679],[-0.8482766151428223,3.1661877632141113,0.0127770574763417],[-0.0014907689765096,0.0127679156139493,10.429557800292969]],"pbc":[true,true,true],"a":3.2535865687451717,"... | null | 3.58863 | 4.516422 | null | [
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0.12549597842... | null | 6 | null | null | 0.39848 | 3.734044 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-28684022e4d64ca5b5024526b4e0bd7d | Ta4 N2 | Ta4 N2 | Pnnm | 58 | 0.000001 | null | 1,064 | 4.461853 | 5.013962 | 5.550405 | null | 0.560764 | 1.154234 | 1.154234 | -69.26236 | 2.992412 | 2.254155 | 3.056975 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.08549427986145,-0.0095421727746725,-0.0217630621045828],[-0.0097164958715439,4.94517707824707,-0.0028592301532626],[-0.0217823460698128,-0.0028279116377234,5.3916120529174805]],"pbc":[true,true,true],"a":3.085585784740259,"b"... | null | 2.767847 | 3.056975 | null | [
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0.206184008... | null | 6 | null | null | 1.133497 | 3.249662 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-f4cdd136c3bb412f953e0e9bf200a225 | K6 Tl2 S6 | K6 Tl2 S6 | Pmn2_1 | 31 | 0 | null | 1,064 | 2.464399 | 2.483277 | 2.48973 | null | 0.002004 | 0.009818 | 0.011822 | -48.393803 | 0.524083 | 0.18238 | 0.168091 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.409127235412598,-0.0105998357757926,0.0408896133303642],[-0.0106278890743852,7.7972493171691895,-0.0320644378662109],[0.040889285504818,-0.0320435017347336,13.30434799194336]],"pbc":[true,true,true],"a":4.409329574329177,"b":... | null | 0.291518 | 0.524083 | null | [
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0.0... | null | 6 | null | null | 0.028867 | 0.076301 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-6947ebc5cf724f1b9c9fc853c8c193c3 | K1 Bi1 S2 | K3 Bi3 S6 | R-3m | 166 | 0 | null | 1,064 | 3.369301 | 3.37315 | 2.841141 | null | 0.52721 | 0.52347 | 0.52721 | -16.433235 | 0.043481 | 0.044039 | 0.021945 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9974334239959717,1.0335397720336914,0.7037408947944641],[1.0335725545883179,3.995678186416626,0.680867612361908],[0.7037505507469177,0.680818498134613,7.7319793701171875]],"pbc":[true,true,true],"a":4.188428068698533,"b":4.18... | null | 0.036488 | 0.044039 | null | [
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0.025568... | null | 6 | null | null | 0.291756 | 0.086448 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-0fcf98e362de46febb1ba028474856d3 | Cs3 Se1 O3 F1 | Cs9 Se3 O9 F3 | R3m | 160 | 0 | null | 1,064 | 1.715781 | 1.714965 | 1.714994 | null | 0.000029 | 0.000816 | 0.000846 | -36.928963 | 0.001982 | 0.001983 | 0.001983 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.01682710647583,-0.0473130084574223,-0.0408169515430927],[-0.0472943708300591,5.992547512054443,0.044190239161253],[-0.040838997811079,0.0442522354424,6.042079448699951]],"pbc":[true,true,true],"a":6.0171515664411235,"b":5.992... | null | 0.001982 | 0.001983 | null | [
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-0.1473452... | null | 6 | null | null | -0.087596 | 0.035175 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-08eba76df8f046d7b53634afa89ae481 | Bi2 S1 O2 | Bi2 S1 O2 | P-3m1 | 164 | 0 | null | 1,064 | 3.504271 | 3.511243 | 3.578461 | null | 0.067049 | 0.074008 | 0.074008 | -26.667274 | 0.036313 | 0.03644 | 0.037195 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.851198196411133,-1.0281624794006348,0.0096373111009598],[-1.0281083583831787,3.8661422729492188,-0.0126185789704323],[0.0095786713063717,-0.0126030165702105,6.818566799163818]],"pbc":[true,true,true],"a":3.986093138632473,"b"... | null | 0.036649 | 0.037195 | null | [
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0.0466581... | null | 6 | null | null | 0.345786 | 0.005811 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-39e9eb98cc434721afb0af37899da185 | Na2 Bi2 S4 | Na3 Bi3 S6 | R-3m | 166 | 0 | null | 1,064 | 3.466509 | 3.062843 | 3.403228 | null | 0.33735 | 0.06248 | 0.39983 | -32.864792 | 0.039781 | 0.026609 | 0.036862 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.048574924468994,0.0170274171978235,-0.0197976995259523],[0.0169773194938898,7.173131942749023,-1.1887918710708618],[-0.0198341999202967,-1.1887556314468384,6.962952613830566]],"pbc":[true,true,true],"a":4.0486591361686735,"b"... | null | 0.034417 | 0.039781 | null | [
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0.022652527... | null | 6 | null | null | 0.273356 | 0.093488 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-795326c6a1854435978930fe6d29c388 | Na1 Mo1 N2 | Na1 Mo1 N2 | P-6m2 | 187 | 0 | null | 1,064 | 3.824951 | 3.827528 | 1.797275 | null | 2.0026 | 2.005816 | 2.005816 | -30.367815 | 0.54134 | 0.49967 | 0.835403 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.861548900604248,-0.7602503895759583,-0.0071357912383974],[-0.7602896094322205,2.8837971687316895,-0.0080627575516701],[-0.0072120479308069,-0.0080662816762924,5.899435997009277]],"pbc":[true,true,true],"a":2.9608265205709663,... | null | 0.625471 | 0.835403 | null | [
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0.05802117... | null | 6 | null | null | 0.996629 | 0.430345 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-90da9eeba5d449088690c40adba341ee | Hf2 Ge4 | Hf4 Ge8 | Cmcm | 63 | 0 | null | 1,064 | 5.14265 | 5.311313 | 5.770322 | null | 0.473278 | 0.761581 | 0.761581 | -40.880936 | 1.921782 | 3.603186 | 2.739492 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8069138526916504,0.0158079341053963,-0.0102916527539492],[0.0158584248274565,3.7687923908233643,-0.6485112905502319],[-0.0103092892095447,-0.648534893989563,7.621108531951904]],"pbc":[true,true,true],"a":3.806960584339254,"b"... | null | 2.75482 | 3.603186 | null | [
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0.1398172229... | null | 6 | null | null | 0.486282 | 2.854308 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-6202c5dde2924c2986a278c81140a63b | Hf8 Bi1 | Hf8 Bi1 | P-62m | 189 | 0 | null | 1,064 | 4.344878 | 4.592033 | 4.599484 | null | 0.007289 | 0.342906 | 0.342906 | -83.463425 | 2.393025 | 3.708162 | 3.695099 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.4075019359588623,0.0179058089852333,-0.0186313483864069],[0.0179732907563448,8.150236129760742,-2.176806688308716],[-0.0186290591955185,-2.176849603652954,8.155640602111816]],"pbc":[true,true,true],"a":3.407599916172893,"b":8... | null | 3.265428 | 3.708162 | null | [
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-0.010220448... | null | 6 | null | null | 0.365905 | 3.872203 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-aa2039e5b79849aca656ce00413a0a62 | Hf6 C4 N2 | Hf3 C2 N1 | P-3m1 | 164 | 0 | null | 1,064 | 3.283839 | 2.95033 | 2.995155 | null | 0.100821 | 0.216702 | 0.317523 | -128.665558 | 0.98732 | 1.15782 | 2.722747 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.2607624530792236,-0.008531155064702,0.0170990154147148],[-0.0084972502663732,5.705305576324463,-0.0080084288492799],[0.0171362049877644,-0.0080072693526745,7.997670650482178]],"pbc":[true,true,true],"a":3.260818445167735,"b":... | null | 1.622629 | 2.722747 | null | [
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0.2458... | null | 6 | null | null | 0.754079 | 2.086066 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-2a72fde1a46d4df9a0f737871652293f | K4 Mo2 S4 N2 | K8 Mo4 S8 N4 | Cmcm | 63 | 0 | null | 1,064 | 2.5068 | 2.581675 | 2.581227 | null | 0.000472 | 0.04968 | 0.050152 | -69.322906 | 0.659506 | 0.139096 | 0.139759 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.313755989074707,-0.0083767957985401,-0.0033823591656983],[-0.008270250633359,7.903642177581787,-2.3633546829223633],[-0.0034348201006651,-2.36332106590271,7.88758659362793]],"pbc":[true,true,true],"a":6.31376245202796,"b":8.2... | null | 0.312787 | 0.659506 | null | [
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0.04156... | null | 6 | null | null | 0.129768 | 0.040035 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-5e0f5dd2cdc9417fbd508a6f0771a7c7 | Ta4 N2 | Ta4 N2 | Pnnm | 58 | 0 | null | 1,064 | 4.405255 | 5.019007 | 5.610619 | null | 0.595607 | 1.249939 | 1.249939 | -69.26239 | 2.975764 | 2.413366 | 3.083626 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1160311698913574,0.0105548044666648,-0.0229292549192905],[0.0105509459972382,4.907253265380859,-0.0034785545431077],[-0.0229434426873922,-0.0033707921393216,5.394923210144043]],"pbc":[true,true,true],"a":3.1161334063808925,"b... | null | 2.824252 | 3.083626 | null | [
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0.20482580252... | null | 6 | null | null | 1.119691 | 3.253396 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-156341b021104c86b7583207bacd71c8 | K3 Rb3 P2 | K3 Rb3 P2 | P-6 | 174 | 0 | null | 1,064 | 2.500987 | 2.758965 | 2.757216 | null | 0.00214 | 0.346055 | 0.348195 | -18.782581 | 0.48087 | 1.376766 | 1.371401 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.275321960449219,0.0044293282553554,-0.0057264706119895],[0.0045346939004958,8.405362129211426,-2.23909854888916],[-0.0056242467835546,-2.239039421081543,8.417874336242676]],"pbc":[true,true,true],"a":5.275326928050266,"b":8.6... | null | 1.076346 | 1.376766 | null | [
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-0.0304178... | null | 6 | null | null | 0.271129 | 0.84944 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-1fc9cf8dba0a4367999658ac493937d2 | Hf5 N4 | Hf5 N4 | P-3m1 | 164 | 0 | null | 1,064 | 2.746101 | 2.764432 | 3.22827 | null | 0.522413 | 0.527931 | 0.527931 | -97.396011 | 5.380629 | 5.290254 | 6.047357 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.0983176231384277,-0.8121334314346313,0.0064049530774355],[-0.8121780753135681,3.109452724456787,0.0083680907264352],[0.0063336649909616,0.0083823753520846,13.10016918182373]],"pbc":[true,true,true],"a":3.202994509475136,"b":3... | null | 5.572747 | 6.047357 | null | [
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0.1376260... | null | 6 | null | null | 1.246862 | 4.997653 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-f1322a553e3948ccab7e66c148d8f64c | Ga2 P2 | Ga4 P4 | F-43m | 216 | 0 | null | 1,064 | 4.04091 | 4.050524 | 3.899162 | null | 0.158721 | 0.15064 | 0.158721 | -18.491207 | 0.596202 | 0.588763 | 0.536436 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.942451238632202,-0.006825284101069,0.0063271070830524],[-0.0067776739597321,3.9455313682556152,-0.0059082042425871],[0.0063176862895489,-0.0059075281023979,5.605355262756348]],"pbc":[true,true,true],"a":3.9424622237606393,"b"... | null | 0.5738 | 0.596202 | null | [
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0.060691917... | null | 6 | null | null | 0.09116 | 0.110819 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-ae02c55b0683497e93f84e8b81502db2 | Ca3 P1 N4 | Ca9 P3 N12 | R3m | 160 | 0 | null | 1,064 | 2.080369 | 2.092374 | 2.082942 | null | 0.009687 | 0.002616 | 0.012303 | -51.067497 | 0.232026 | 0.225892 | 0.2327 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.901068687438965,-0.040547925978899,0.0242998730391264],[-0.0404917411506176,4.91589879989624,-0.0391008332371712],[0.0242956411093473,-0.039096649736166,4.898983001708984]],"pbc":[true,true,true],"a":4.901296654674721,"b":4.9... | null | 0.230206 | 0.2327 | null | [
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0.02498... | null | 6 | null | null | -0.023811 | 0.169612 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-963a5dc2f74f408d912ed195a9bc7060 | B1 P1 S4 | B1 P1 S4 | P-42m | 111 | 0 | null | 1,064 | 2.258969 | 1.903448 | 1.902213 | null | 0.001236 | 0.355942 | 0.355942 | -30.525059 | 0.006308 | 0.003704 | 0.003706 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.2511420249938965,-0.0138202589005232,-0.0026830183342099],[-0.0138553492724895,5.8654913902282715,0.0568998456001282],[-0.002683830447495,0.0569207146763802,5.8554487228393555]],"pbc":[true,true,true],"a":5.251160896868469,"b... | null | 0.004573 | 0.006308 | null | [
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-0.03759839... | null | 6 | null | null | 0.228031 | -0.015098 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-4d3c5e9a1be54d988bd9a220917023c1 | La2 I2 O2 | La2 I2 O2 | P4/nmm | 129 | 0 | null | 1,064 | 2.121162 | 2.119417 | 2.001778 | null | 0.117152 | 0.118875 | 0.118875 | -39.711826 | 0.005186 | 0.005167 | 0.003847 | null | null | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.15034818649292,0.0142923165112734,-0.0159001760184765],[0.0142799820750952,4.154663562774658,-0.0055437874980271],[-0.0158974789083004,-0.0055446121841669,10.180355072021484]],"pbc":[true,true,true],"a":4.150403252098974,"b":... | null | 0.004733 | 0.005186 | null | [
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0.13836239674706663,
0.017005... | null | 6 | null | null | 0.075107 | -0.052282 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
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