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cd-251124-0b3547ec5a1a4998890be31f647903bd | Rb1 Y1 C2 N4 | Rb1 Y1 C2 N4 | P2/m | 10 | null | 2026-01-27 02:59:55 | 1,064 | 1.727601 | 2.153469 | 2.197123 | 0.425869 | 0.043654 | 0.469523 | 0.469523 | -64.899893 | 0.00191 | 0.00541 | 0.007055 | -64.944649 | 0.01133 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7573657623450463, -0.0001429589508415, -0.0065934064729458], [0.0046495138870459, 5.345662154566996, -0.0824696331097484], [0.0019570693674668, 0.0750592468400322, 6.6701677968252415]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8151854993696053,0.0,-0.007685306864003829],[0.004843059412534902,5.39829332032786,-0.14275415878747325],[0.0,0.0,6.64723099]],"pbc":[true,true,true],"a":3.81519324,"b":5.4001826799999995,"c":6.64723099,"alpha":91.51479389000... | 0.004792 | 0.007055 | [
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cd-251119-fa58771e25f941aa8a6f885d2b818f1c | Ta1 Mo11 | Ta1 Mo11 | P2/m | 10 | 0.000011 | 2026-01-27 02:57:47 | 1,064 | 6.406631 | 6.737726 | 5.052464 | 0.331095 | 1.685262 | 1.354167 | 1.685262 | -132.730772 | 3.52324 | 2.824261 | 4.722181 | -131.741226 | 0.001804 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1412990405790153, 7.3825773823e-06, 1.85023452664e-05], [-1.8455709686e-06, 6.635336990467437, -2.195641595998377], [-2.63459646283e-05, 0.01909287225621, 8.83690885476088]], "pbc": [true, true, true], "a": 3.14129904... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.179253179875289,0.0,0.000028159826256412877],[-0.00002447407586083987,6.746323863115474,-2.2498282377214363],[0.0,0.0,8.99635365]],"pbc":[true,true,true],"a":3.17925318,"b":7.111583,"c":8.99635365,"alpha":108.44300187000002,"... | 3.689894 | 4.722181 | [
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cd-251023-05b15f87bbd14c71b084e0a2317638ab | Na2 Bi2 Te4 | Na2 Bi2 Te4 | Pmmn | 59 | 0.000037 | 2026-01-26 18:56:04 | 1,064 | 4.953838 | 6.376049 | 4.151843 | 1.422212 | 2.224207 | 0.801995 | 2.224207 | -27.108225 | 0.819213 | 4.016703 | 0.582235 | -27.051243 | 0.036923 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4679407361349295, -0.0029603621683695, -0.000144465127255], [0.003551295640563, 6.252715672233284, -0.1147239393046144], [0.0019383198387315, 0.1658606713748207, 9.195504566079519]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.517012001996863,0.0,-0.0011165678085097855],[0.00784284836518587,6.483241829371041,-0.23289973054265994],[0.0,0.0,9.42096009]],"pbc":[true,true,true],"a":4.51701214,"b":6.48742849,"c":9.42096009,"alpha":92.05736983,"beta":90.... | 1.806051 | 4.016703 | [
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cd-251023-6c51e7da1a0e417c9f4dae7a163e0185 | Sr2 Sb4 | Sr2 Sb4 | P2_1/m | 11 | 0.002054 | 2026-01-26 18:53:05 | 1,064 | 4.65753 | 4.050001 | 5.094381 | 0.607529 | 1.04438 | 0.436851 | 1.04438 | -23.835494 | 2.874367 | 2.310543 | 2.42475 | -23.861303 | 0.014002 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.346264264162511, -0.0003464894127044, 0.0015672076951576], [0.0016918027805319, 4.605714725916323, -1.553372085544296], [-0.0021675121906419, 0.1470400274738597, 9.391340424638353]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3617579061382745,0.0,0.0025644346833952713],[0.0017460933765929003,4.753964408435263,-1.618572255935423],[0.0,0.0,9.3334058]],"pbc":[true,true,true],"a":4.36175866,"b":5.02194751,"c":9.3334058,"alpha":108.80205911000002,"beta... | 2.536553 | 2.874367 | [
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cd-251023-0b61987ad94748fba025be96316eca00 | K2 Na4 Ag1 Au1 O4 | K2 Na4 Ag1 Au1 O4 | P2/m | 10 | null | 2026-01-27 08:37:41 | 1,064 | 1.99954 | 2.07843 | 2.132765 | 0.07889 | 0.054335 | 0.133225 | 0.133225 | -46.094581 | 0.007777 | 0.008468 | 0.009401 | -46.040359 | 0.036565 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9241653862909147, -5.50341782054e-05, 5.66808615843e-05], [-0.0003762068322207, 5.5152493737262835, -0.0227938489455174], [-0.0012204918212743, 0.0031233917982801, 9.754195527981022]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9020218007226566,0.0,0.0005536443820368352],[-0.0003029141383951357,5.605321846382458,-0.02630775079434513],[0.0,0.0,10.47837274]],"pbc":[true,true,true],"a":3.90202184,"b":5.60538359,"c":10.47837274,"alpha":90.26890731,"beta... | 0.008549 | 0.009401 | [
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cd-251124-0dbb18e0520e4fe392acf93870804ca8 | Ta19 Nb1 | Ta19 Nb1 | P2/m | 10 | 0.000029 | 2026-01-27 02:13:52 | 1,064 | 3.782053 | 1.649618 | 2.839526 | 2.132435 | 1.189908 | 0.942527 | 2.132435 | -235.265567 | 1.286167 | 3.846042 | 1.202084 | -235.379532 | 0.00403 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.6167972347067865, 2.908688808e-05, 0.0001094499966651], [-8.40555562815e-05, 7.748624541969352, -2.2471267523457006], [-0.0001530387824381, -0.0890620681719175, 9.79852105225616]], "pbc": [true, true, true], "a": 4.61... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.697410976378967,0.0,0.00018444230218601294],[-0.0001721891833296341,7.829014408283115,-2.2142480976047607],[0.0,0.0,9.96445591]],"pbc":[true,true,true],"a":4.69741098,"b":8.13611463,"c":9.96445591,"alpha":105.79227745999998,"... | 2.111431 | 3.846042 | [
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0.00495707585967... | 6 | 6 | 0.379082 | 2.505038 | 0.319621 | 2.305765 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251119-d7cc575afdd24f52a3a799bdab363e98 | Na3 Hg3 | Na3 Hg3 | P2/m | 10 | 0.000287 | 2026-01-27 02:08:17 | 1,064 | 2.00181 | 0.408583 | 1.856472 | 1.593227 | 1.447889 | 0.145338 | 1.593227 | -6.077033 | 0.023329 | 2.118051 | 0.079937 | -6.311609 | 0.04162 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7682684554695807, -0.0022139934314603, -0.0013455072606506], [-1.06150430406e-05, 4.9332430349133904, -1.5961549306277332], [0.0050544080446665, -0.0964678356095606, 8.182771551021643]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.748099288134259,0.0,-0.0036649944921880134],[0.003901633156982588,5.109445940823452,-1.5661207340827812],[0.0,0.0,8.33505112]],"pbc":[true,true,true],"a":3.74810108,"b":5.34407964,"c":8.33505112,"alpha":107.04107192,"beta":90... | 0.740439 | 2.118051 | [
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cd-251023-ca4cba6228514e5aa39f86d8c96478be | Rb4 Hg2 Ge2 Te6 | Rb8 Hg4 Ge4 Te12 | Cc | 9 | -0.000241 | 2026-01-27 09:04:59 | 1,064 | 3.073503 | 3.461111 | 2.922442 | 0.387608 | 0.538669 | 0.151062 | 0.538669 | -39.655198 | 0.625638 | 0.448209 | 1.578406 | -40.652184 | 0.031346 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.688724024543636, 0.0053439502891909, 2.1366593305073036], [3.8367322003335156, 7.037206004855648, 1.0666139908828158], [0.0339625567050811, 0.0029460794791518, 10.362109972972888]], "pbc": [true, true, true], "a": 7.9... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.788797960795383,0.0,2.1328414171436627],[3.882316683189469,7.092814892044337,1.062715961928729],[0.0,0.0,10.46873541]],"pbc":[true,true,true],"a":8.07554247,"b":8.1553523,"c":10.46873541,"alpha":82.51255027000002,"beta":74.68... | 0.884084 | 1.578406 | [
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cd-251109-0fbc189da4424c21bb4bb2b71878000e | La8 Te5 As3 | La8 Te5 As3 | P2/m | 10 | 0.00025 | 2026-01-27 07:53:58 | 1,064 | 1.984771 | 1.780072 | 0.910966 | 0.204698 | 0.869106 | 1.073804 | 1.073804 | -94.856153 | 0.53583 | 1.103158 | 2.914268 | -95.252411 | 0.005021 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.439344576577148, -3.76183491739e-05, 0.0007758075748279], [0.0004335500222824, 8.997219714914303, -0.131691855619888], [-0.001142552350263, 0.0058293786581327, 12.665749072207014]], "pbc": [true, true, true], "a": 4.4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.463348253171902,0.0,0.0011831977260750154],[0.0005009660270177972,9.120105427439402,-0.13675988031663927],[0.0,0.0,12.74961494]],"pbc":[true,true,true],"a":4.46334841,"b":9.12113077,"c":12.74961494,"alpha":90.85911032,"beta":... | 1.517752 | 2.914268 | [
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0.05038272... | 6 | 6 | 0.585158 | 0.968805 | 0.686297 | 1.110781 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251116-999dd0071085481aa32c6be19b9de4ff | Rb3 Sn1 Te3 | Rb6 Sn2 Te6 | Cm | 8 | 0.004656 | 2026-01-27 12:34:50 | 1,064 | 3.138671 | 2.897274 | 2.739596 | 0.241397 | 0.157679 | 0.399076 | 0.399076 | -21.498785 | 1.266396 | 0.137474 | 0.339831 | -21.876781 | 0.078714 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.044541806669771, -0.0002916710330098, -1.5309604022166114], [0.755908897014782, 8.26798324278342, 2.5225505215227924], [-0.4758851693031025, 0.3356823705749185, 7.553436843004582]], "pbc": [true, true, true], "a": 5.2... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6134607622383035,0.0,-1.4002888154839739],[0.7384109714281908,8.315431126087194,2.4633439433670774],[0.0,0.0,8.34834166]],"pbc":[true,true,true],"a":4.821289139999999,"b":8.70400534,"c":8.34834166,"alpha":73.55990609,"beta":1... | 0.581234 | 1.266396 | [
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0.0069... | 1 | 1 | 0.793199 | 0.115533 | 0.800833 | 0.108851 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251119-f04b4c919329440aa62ac7fb91208210 | Mo1 S2 | Mo2 S4 | Cm | 8 | -0.000002 | 2026-01-27 11:38:08 | 1,064 | 3.254009 | 3.256161 | 2.339843 | 0.002152 | 0.916318 | 0.914166 | 0.916318 | -21.79389 | 0.045575 | 0.045652 | 0.008056 | -21.723604 | 0.043961 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.150393424873988, -0.0045635037984771, 0.3041166569714534], [1.557667679346633, 2.729936140675724, 0.3704520380200496], [0.1244093511938538, 0.2309096537702161, 10.986708654690236]], "pbc": [true, true, true], "a": 3.1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.178354903761112,0.0,0.2413691535440783],[1.578373853338495,2.7569181484402776,0.2625838817943744],[0.0,0.0,10.0486444]],"pbc":[true,true,true],"a":3.1875067,"b":3.18760286,"c":10.0486444,"alpha":85.27481414,"beta":85.65720616... | 0.033094 | 0.045652 | [
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0.19872... | 6 | 6 | 0.739731 | 0.027215 | 0.732433 | 0.034512 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251116-c3dca5677d5546f4a17901b88e154f7f | B1 P1 Se4 | B2 P2 Se8 | Cm | 8 | -0.003271 | 2026-01-27 12:22:27 | 1,064 | 1.474626 | 1.519037 | 1.829483 | 0.044411 | 0.310446 | 0.354857 | 0.354857 | -25.817748 | 0.31547 | 0.283502 | 0.042526 | -26.77507 | 0.011219 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.793466555165947, 0.0304372399025623, -0.4471069482668653], [0.1574183778805644, 4.6842805119488355, 1.037011713423912], [0.0269271236997913, -0.0480904771591629, 14.503710351099079]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.790330427312759,0.0,-0.4518608667779646],[0.12677217823135373,4.693764309751911,1.0428897329248674],[0.0,0.0,14.37123511]],"pbc":[true,true,true],"a":4.81159473,"b":4.809897460000001,"c":14.37123511,"alpha":77.47758060000001,... | 0.213833 | 0.31547 | [
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0.01292... | 1 | 1 | 0.668538 | 0.21398 | 0.656561 | 0.235132 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251119-9c012da44dbb4864b3ef8170fe05c963 | Ta3 Mo7 | Ta6 Mo14 | Cm | 8 | 0.000084 | 2026-01-27 12:28:05 | 1,064 | 5.521313 | 5.735566 | 5.64502 | 0.214253 | 0.090546 | 0.123707 | 0.214253 | -113.687665 | 3.939606 | 3.951293 | 3.763715 | -112.968933 | 0.002202 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0960085044232812, 0.0020427608424033, -0.6045733705811478], [-0.2335373365713062, 6.186056000482706, -1.2096127220244353], [0.0081559730942412, 0.0113141147720137, 8.2202917795532]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.147005813087829,0.0,-0.6162910317834026],[-0.24196012990142404,6.292980617919086,-1.2352341849620432],[0.0,0.0,8.33724243]],"pbc":[true,true,true],"a":3.2067834699999995,"b":6.417628320000001,"c":8.33724243,"alpha":101.097268... | 3.884872 | 3.951293 | [
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0.347094067572... | 6 | 6 | 1.101185 | 3.188844 | 1.189716 | 3.312212 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
mtgn_3578779_Hf3Re3Ge3 | Hf3 Re3 Ge3 | Hf3 Re3 Ge3 | P-62m | 189 | -0.00794 | 2026-01-27 19:10:30 | 1,064 | 5.706898 | 5.811165 | 5.809946 | 0.104267 | 0.001219 | 0.103048 | 0.104267 | -85.379358 | 2.192803 | 1.333657 | 1.333068 | -85.595573 | 0.007637 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.394828697360251, -0.0015363325844552, 0.0003029445366759], [0.0035565971252021, 6.088934333132021, -3.511405157469723], [-0.0008308442812075, -0.0029367197708494, 7.028278515240999]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.459390847876021, -0.0016730169602322026, 0.00035981046919916326], [0.003340228863322508, 6.1341920118650535, -3.5379325035003073], [-0.0007316946684954851, -0.0030277471657561197, 7.081254602218924]], "pbc": [true, tr... | 1.619842 | 2.192803 | [
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0.032525... | 6 | 6 | 0.382904 | 2.564294 | 0.351881 | 2.448802 | mattergen | mattergen_base |
mtgn_3520274_Gd2Ir1 | Gd2 Ir1 | Gd8 Ir4 | Fm-3m | 225 | -0.034442 | 2026-01-27 19:02:04 | 1,064 | 5.491508 | 5.491938 | 5.49023 | 0.00043 | 0.001708 | 0.001279 | 0.001708 | -38.920713 | 2.484927 | 2.483522 | 2.48894 | -38.914326 | 0.000365 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.138715312287648, 0.0005879139145127, 2.389590282316712], [1.3802486582839277, 3.9018316655324545, 2.3894961646158195], [0.0009523696908777, 0.0007903136569617, 4.77940396438802]], "pbc": [true, true, true], "a": 4.779... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.190300079324342, 0.0004203351136965447, 2.419516684475344], [1.397305594977957, 3.949983500521933, 2.4193895110770254], [0.0006628454211259715, 0.0005479065693349415, 4.839781588872895]], "pbc": [true, true, true], "a... | 2.485796 | 2.48894 | [
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mtgn_774198_Lu3P3Ru3 | Lu3 P3 Ru3 | Lu3 P3 Ru3 | P-62m | 189 | -0.009753 | 2026-01-27 20:13:36 | 1,064 | 3.329719 | 5.693103 | 5.694542 | 2.363384 | 0.001439 | 2.364823 | 2.364823 | -67.192023 | 0.628116 | 1.139879 | 1.141014 | -67.853912 | 0.001592 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.70360636131916, -0.0003761085974594, -0.0001481704489118], [-9.24134099025e-05, 5.757886174758688, -3.320318208951824], [0.0001316768519738, -0.0036740429432162, 6.647182824138788]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.742124816831432, -0.00017656564153356783, -0.00010990719196623068], [0.00018773431680308108, 5.825157635490394, -3.358939309777224], [0.00020462199660113454, -0.003523264449320723, 6.724837051700275]], "pbc": [true, t... | 0.96967 | 1.141014 | [
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0.025698472128... | 6 | 6 | 0.070589 | 0.817099 | 0.03776 | 0.826453 | mattergen | mattergen_base |
cd-251105-1849505ced2f462ab8b1edb2dcc17d83 | Sc1 W1 N2 | Sc1 W1 N2 | P-6m2 | 187 | -0.016278 | 2026-01-27 20:17:14 | 1,064 | 4.83462 | 4.834314 | 4.234175 | 0.000306 | 0.600139 | 0.600445 | 0.600445 | -39.993089 | 1.751099 | 1.750683 | 0.603435 | -40.642059 | 0.009411 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9333673937032962, 0.0001178521926419, 9.85431053844e-05], [-1.466842846415647, 2.5403563641030273, 0.0004611989975932], [2.9866610898e-05, -0.0008971872205487, 5.56209970853243]], "pbc": [true, true, true], "a": 2.933... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.9835595289026227,0.0,0.00008092082371307986],[-1.492045463700166,2.5837751178086905,0.0008704839240100472],[0.0,0.0,5.45019477]],"pbc":[true,true,true],"a":2.9835595299999995,"b":2.98363776,"c":5.45019477,"alpha":89.983283810... | 1.368406 | 1.751099 | [
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0.1875998... | [
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0.201321... | 6 | 6 | 0.367611 | 1.117619 | 0.373399 | 1.12041 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-96c670ae30bf4b2a84a4445a7b5e355d | K1 Hf2 N3 | K2 Hf4 N6 | I4/mmm | 139 | -0.013631 | 2026-01-28 10:06:43 | 1,064 | 2.704596 | 2.70731 | 2.664105 | 0.002714 | 0.043205 | 0.040491 | 0.043205 | -54.380963 | 0.020927 | 0.020666 | 0.012443 | -54.330528 | 0.015722 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8649806864664225, -3.99677204669e-05, 1.332109976442685], [0.4764346984998097, 3.8310164380998932, -1.3822339097554501], [0.0272060215567495, 0.0366265022256296, 6.19543716660375]], "pbc": [true, true, true], "a": 4.0... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8272113146068705,0.0,1.319188486253377],[0.4865393214435234,3.9130833554364517,-1.4115343992227585],[0.0,0.0,6.21353052]],"pbc":[true,true,true],"a":4.04818536,"b":4.18824202,"c":6.21353052,"alpha":109.69560997,"beta":70.9816... | 0.018012 | 0.020927 | [
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0.020618... | 0 | 0 | 0.125604 | 0.098144 | 0.122909 | 0.133539 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251029-7523b468a6ae441ba566b1e8803e2ff8 | Rb2 Te1 Se2 | Rb4 Te2 Se4 | Immm | 71 | -0.007944 | 2026-01-28 10:16:59 | 1,064 | 4.126134 | 3.127772 | 2.944758 | 0.998362 | 0.183014 | 1.181376 | 1.181376 | -16.07581 | 0.122403 | 0.071137 | 0.061652 | -16.081507 | 0.004232 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9446175786146433, -0.0012771629222983, 1.3248849973769465], [1.4702481888642362, 6.351256792839389, 2.1601135878004003], [-0.1132494987950275, -0.0530413993110251, 6.866583113706581]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.127849250668272,0.0,1.386628630682562],[1.5529740820132947,6.273018705462147,2.223893901716185],[0.0,0.0,6.83393582]],"pbc":[true,true,true],"a":4.3545239,"b":6.8343394900000005,"c":6.83393582,"alpha":71.01019087000002,"beta"... | 0.085064 | 0.122403 | [
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0.009806... | 1 | 1 | 1.006791 | 0.296961 | 1.052061 | 0.311414 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
mtgn_3307803_Pr2Fe2P2N2 | Pr2 Fe2 P2 N2 | Pr2 Fe2 P2 N2 | P4/nmm | 129 | -0.010456 | 2026-01-28 06:31:29 | 1,064 | 3.530969 | 3.401121 | 3.267195 | 0.129848 | 0.133925 | 0.263773 | 0.263773 | -66.220451 | 2.489968 | 2.601657 | 3.74041 | -62.472778 | 0.021105 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.692550553460321, 0.0004244876241102, -0.0015010611160861], [-0.0009242983939278, 3.6886457281008003, -0.0008758051348959], [0.0031643837563879, 0.002360371085996, 7.7878286469695865]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.773806754980446, 0.000690601951163565, -0.0016337876800499409], [-0.0006881946741752738, 3.774087231710293, -0.0010563288528883962], [0.0030548285402513396, 0.002096506011313409, 8.036416847700584]], "pbc": [true, tru... | 2.944012 | 3.74041 | [
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0.1074846521... | 6 | 6 | 0.346457 | 2.343012 | 0.376528 | 2.441329 | mattergen | mattergen_base |
mtgn_3502789_La1H2N1 | La1 H2 N1 | La3 H6 N3 | R3m | 160 | -0.008359 | 2026-01-28 00:57:03 | 1,064 | 2.516288 | 2.51603 | 2.515829 | 0.000258 | 0.0002 | 0.000458 | 0.000458 | -23.040916 | 0.010194 | 0.010274 | 0.009877 | -23.161129 | 0.013435 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6056854480042166, 0.002711809615014, 2.303183731561001], [1.0653367114818737, 3.444111612781796, 2.30393208790682], [-0.0135949756886789, -0.0110769051077372, 3.9953288042654154]], "pbc": [true, true, true], "a": 4.27... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6295867542866223, 0.004096016116690873, 2.318822501473302], [1.0737560743701229, 3.46625458999022, 2.3194945765345762], [-0.002495715122583221, -0.002980250974563881, 4.004920874476235]], "pbc": [true, true, true], "a... | 0.010115 | 0.010274 | [
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... | 6 | 6 | 0.230492 | 1.27388 | 0.231451 | 1.28791 | mattergen | mattergen_base |
cd-251124-1cec3894230b4279a90daf568ff6bd32 | K1 Hf2 N3 | K2 Hf4 N6 | I4/mmm | 139 | -0.01363 | 2026-01-28 09:15:43 | 1,064 | 2.706058 | 2.707939 | 2.66495 | 0.001882 | 0.042989 | 0.041108 | 0.042989 | -54.380781 | 0.021156 | 0.020865 | 0.012552 | -54.330482 | 0.016152 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8657572927140778, -0.0005540056082335, 1.3316562240646936], [0.476273338864064, 3.829800323566765, -1.381696080416679], [0.0271036086035881, 0.0376374577440808, 6.1946606757981515]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.825843473528724,0.0,1.3191103851889099],[0.48683402915608043,3.9138961643811725,-1.411990238540086],[0.0,0.0,6.21427565]],"pbc":[true,true,true],"a":4.04686675,"b":4.1891893,"c":6.21427565,"alpha":109.69759413000001,"beta":70... | 0.018191 | 0.021156 | [
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0.0... | 0 | 0 | 0.125596 | 0.098214 | 0.122892 | 0.134108 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251120-c2338dd384d4404f9bca499549867c97 | Sc1 W1 N2 | Sc1 W1 N2 | P-6m2 | 187 | -0.016275 | 2026-01-28 11:11:21 | 1,064 | 4.834724 | 4.837311 | 4.234438 | 0.002587 | 0.602874 | 0.600286 | 0.602874 | -39.993108 | 1.746356 | 1.753278 | 0.602382 | -40.642006 | 0.00991 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9332945939617687, 0.0009857887508842, 0.0002011126248886], [-1.4673889478366215, 2.5400014273049116, -0.0004113143798796], [-0.0002680270298897, 0.0004437328150084, 5.562132139842042]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.982699259615882,0.0,0.0003487110377999251],[-1.4929720909699546,2.583160414053704,-0.000685032067534379],[0.0,0.0,5.45122549]],"pbc":[true,true,true],"a":2.9826992800000003,"b":2.9835689799999994,"c":5.45122549,"alpha":90.013... | 1.367339 | 1.753278 | [
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0.201314... | 6 | 6 | 0.368049 | 1.116972 | 0.373396 | 1.120364 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
mtgn_790147_Rb1In1C2O6 | Rb1 In1 C2 O6 | Rb3 In3 C6 O18 | R-3 | 148 | -0.007475 | 2026-01-28 02:17:58 | 1,064 | 1.782893 | 1.798751 | 1.611211 | 0.015859 | 0.18754 | 0.171681 | 0.18754 | -67.523197 | 0.002496 | 0.002585 | 0.001427 | -67.692062 | 0.008491 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.730312919067138, -0.002698177059452, 1.765557569252584], [2.036620454655869, 4.269811762911338, 1.7704130235105227], [0.0050537952417815, -0.0053881641316324, 7.2026423777928015]], "pbc": [true, true, true], "a": 5.04... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.730679602465782, -0.002421939154097755, 1.7649298582797819], [2.0368754721127873, 4.267638223507622, 1.7701882181330102], [-0.0231427684953667, -0.02255890060534511, 7.275579798032318]], "pbc": [true, true, true], "a"... | 0.00217 | 0.002585 | [
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cd-251023-2c113b9f831946e4b0f81c9eae9c82fd | K1 Hf2 N3 | K2 Hf4 N6 | I4/mmm | 139 | -0.013641 | 2026-01-28 09:44:42 | 1,064 | 2.704467 | 2.707957 | 2.664086 | 0.00349 | 0.043871 | 0.04038 | 0.043871 | -54.380652 | 0.020984 | 0.020754 | 0.012481 | -54.330887 | 0.014784 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8631570576729444, 0.0002201318886537, -1.3319273681754817], [-0.47656709292502, 3.8326294046430034, -1.381596564120855], [-0.0246317570341684, 0.0346020496197001, 6.194456143233315]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8290921278444974,0.0,-1.320805746579373],[-0.48624046414345307,3.9108227534381226,-1.409647767479691],[0.0,0.0,6.21359853]],"pbc":[true,true,true],"a":4.05049063,"b":4.1854595,"c":6.21359853,"alpha":109.68181428000001,"beta":... | 0.018073 | 0.020984 | [
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0.020... | 0 | 0 | 0.125519 | 0.098262 | 0.122903 | 0.133849 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
mtgn_4028536_NaCe2N3 | Na1 Ce2 N3 | Na2 Ce4 N6 | Immm | 71 | -0.008095 | 2026-01-28 08:49:28 | 1,064 | 3.970919 | 3.591647 | 3.704615 | 0.379273 | 0.112968 | 0.266305 | 0.379273 | -44.992272 | 0.135649 | 0.115003 | 0.113008 | -44.822113 | 0.008652 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4363148626741267, 0.0028363294237595, -1.033213566917328], [-0.5491147194964637, 4.328772278144019, -1.8144206531305922], [-0.0049144534825526, 0.0255257266100428, 6.216590648395275]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.462544964378491, 0.002513612140190906, -1.0419984697509421], [-0.5476895416492094, 4.3176630480642855, -1.8098424835451639], [0.015288892654564191, 0.08503440447223112, 6.336918541428971]], "pbc": [true, true, true], ... | 0.12122 | 0.135649 | [
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0.0534430... | 6 | 6 | 0.076911 | 1.132709 | 0.075736 | 1.116366 | mattergen | mattergen_base |
mtgn_4106812_BHS | B1 H1 S1 | B3 H3 S3 | R3m | 160 | -0.016527 | 2026-01-28 01:04:49 | 1,064 | 2.253223 | 2.284035 | 1.915203 | 0.030812 | 0.368832 | 0.33802 | 0.368832 | -15.214734 | 0.00395 | 0.004159 | 0.001984 | -15.14549 | 0.025049 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9287997282795253, -0.0042284804588919, 0.8240418479150423], [1.3513125846028857, 2.598076288150911, 0.825751613963809], [0.080514865226264, 0.0496644808822504, 5.334283615833361]], "pbc": [true, true, true], "a": 3.04... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.950247718242555, -0.00331998066148161, 0.8306286118317815], [1.3619576356309266, 2.616965521182278, 0.8326507263805228], [0.0017334510333739284, 0.0025126839768674194, 5.659307111176085]], "pbc": [true, true, true], "... | 0.003364 | 0.004159 | [
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0.0093557... | 6 | 6 | 0.248488 | 0.058883 | 0.254644 | 0.050445 | mattergen | mattergen_base |
cd-251030-cf0cef25c5874c41a3e35844bf725869 | Rb2 Te1 Se2 | Rb4 Te2 Se4 | Immm | 71 | -0.00783 | 2026-01-28 10:14:06 | 1,064 | 4.126617 | 3.131433 | 2.95296 | 0.995185 | 0.178473 | 1.173657 | 1.173657 | -16.075442 | 0.12194 | 0.0719 | 0.062226 | -16.078646 | 0.009492 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9427543020152256, -0.0002600736236026, 1.325747283084549], [1.469758399444898, 6.349514479287905, 2.1545941823664143], [-0.1145696383354338, -0.0407847211557856, 6.862665336642406]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.128371218176672,0.0,1.3885340950868124],[1.555814041706225,6.274067392595682,2.2079071582078806],[0.0,0.0,6.83094812]],"pbc":[true,true,true],"a":4.35562577,"b":6.830763719999999,"c":6.83094812,"alpha":71.1416308,"beta":71.41... | 0.085355 | 0.12194 | [
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0.009991... | 1 | 1 | 1.004724 | 0.298376 | 1.054113 | 0.310411 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
mtgn_3328988_Pr1Ta2Ge2 | Pr1 Ta2 Ge2 | Pr2 Ta4 Ge4 | I4/mmm | 139 | -0.007823 | 2026-01-28 02:26:30 | 1,064 | 4.259879 | 4.251271 | 4.798382 | 0.008609 | 0.547112 | 0.538503 | 0.547112 | -41.699064 | 2.563547 | 2.522658 | 2.877355 | -40.380493 | 0.004867 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.865160618414598, -0.0043480599481376, -1.2216689045827767], [-0.3822090047506677, 3.8025241882704566, -1.210001683433761], [-0.0359071490856983, -0.0152748168265135, 6.672298694163281]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8976626302346853, -0.0008092608994938441, -1.227612168541174], [-0.38566511290702726, 3.877028041562249, -1.2277307105796134], [-0.009012089167528454, -0.006116415431494348, 6.791030160887312]], "pbc": [true, true, tr... | 2.65452 | 2.877355 | [
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0.06551... | 6 | 6 | 0.414758 | 2.040923 | 0.413718 | 2.055416 | mattergen | mattergen_base |
mtgn_3436385_Na1W1O1F5 | Na1 W1 O1 F5 | Na2 W2 O2 F10 | I4mm | 107 | -0.008023 | 2026-01-28 08:13:10 | 1,064 | 1.565504 | 1.603061 | 1.632944 | 0.037557 | 0.029883 | 0.06744 | 0.06744 | -49.928661 | 0.001884 | 0.002183 | 0.002419 | -44.109276 | 0.005414 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.152388623624666, -0.0219804972280849, -2.911219886085365], [-3.391589286403699, 4.84758196821224, -0.1100423619289423], [-0.0090538309847212, 0.0281140282000104, 5.919568611013191]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.207134568633952, -0.016654295068726854, -2.940735418467541], [-3.425285960327221, 4.89815023599842, -0.1162695209505845], [-0.007129877650460799, 0.02365604877214746, 5.983141161057307]], "pbc": [true, true, true], "a... | 0.002162 | 0.002419 | [
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mtgn_4059567_CePO | Ce2 P2 O2 | Ce4 P4 O4 | Cmcm | 63 | -0.00851 | 2026-01-28 09:51:15 | 1,064 | 3.093158 | 4.574041 | 3.101059 | 1.480883 | 1.472982 | 0.007901 | 1.480883 | -46.524741 | 1.609294 | 1.797874 | 1.452778 | -46.458008 | 0.018155 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.732208116755204, -0.0006590811353476, -1.1676586969802312], [0.0011930624517632, 3.97535488110717, 0.0013228053662932], [0.0263711183241151, -0.0012315568028547, 6.630722582064148]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7436765712799245, -0.0007002761879101043, -1.171496309076765], [0.0011568914870143906, 4.058790185277025, 0.0012848155689088685], [0.05478225706178637, -0.001366450862665356, 6.7430671985780855]], "pbc": [true, true, ... | 1.619982 | 1.797874 | [
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0.0993969227... | 6 | 6 | 0.344587 | 0.094894 | 0.424922 | 0.084408 | mattergen | mattergen_base |
cd-251124-ffea0977125940d396eb47f40b41c343 | Ge2 S2 | Ge2 S2 | P-3m1 | 164 | -0.007177 | 2026-01-28 00:19:51 | 1,064 | 4.743686 | 4.744553 | 3.650767 | 0.000866 | 1.093786 | 1.09292 | 1.093786 | -18.247554 | 0.747636 | 0.750387 | 0.49254 | -18.510746 | 0.038753 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6335553310316557, 0.0002590282051833, -0.0041314845007459], [1.8167702998399349, 3.1469306327693065, -0.0068018231889895], [-0.0049286028900272, -0.0010074123288995, 8.228215727723814]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.600815851589309,0.0,-0.0022103539077012835],[1.8001759529616075,3.118541439382257,-0.00580173199338191],[0.0,0.0,8.84891764]],"pbc":[true,true,true],"a":3.60081653,"b":3.60082877,"c":8.84891764,"alpha":90.09231622,"beta":90.0... | 0.663521 | 0.750387 | [
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0.07246897... | 6 | 6 | 0.855809 | 0.644712 | 0.785648 | 0.634481 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-a2d15bd738eb4fbf93a3753683d39797 | K1 Hf2 N3 | K2 Hf4 N6 | I4/mmm | 139 | -0.013622 | 2026-01-28 10:17:33 | 1,064 | 2.704596 | 2.707218 | 2.664424 | 0.002622 | 0.042794 | 0.040172 | 0.042794 | -54.381008 | 0.020964 | 0.020722 | 0.01246 | -54.3302 | 0.016071 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.863865592719766, 0.0013854194766967, -1.3330946800888535], [-0.4781817874603163, 3.8310622848140072, -1.3828481131702102], [-0.0226216892238215, 0.0374611902731335, 6.195062635357482]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8249039972041396,0.0,-1.3230362898828814],[-0.4885505814031667,3.913851034198899,-1.4123919808717933],[0.0,0.0,6.21342387]],"pbc":[true,true,true],"a":4.04726026,"b":4.18948239,"c":6.21342387,"alpha":109.70199493999999,"beta"... | 0.018049 | 0.020964 | [
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0.0... | 0 | 0 | 0.12569 | 0.099272 | 0.122888 | 0.133433 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
mtgn_603186_La2H1Pb1N1 | La2 H1 Pb1 N1 | La4 H2 Pb2 N2 | I-4m2 | 119 | -0.011992 | 2026-01-28 10:09:59 | 1,064 | 1.582394 | 1.636203 | 3.71219 | 0.053809 | 2.075987 | 2.129796 | 2.129796 | -29.6664 | 1.092964 | 1.064171 | 0.866577 | -30.069698 | 0.00758 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7564901838908233, 0.0043632262253132, -0.9630288890415639], [-0.2462112135954248, 3.749512707410577, -0.9627949171884068], [0.0377976291453416, 0.0397394597606304, 8.006335475123032]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8198510706902318, 0.0029797149844567267, -0.9770796019344927], [-0.2519750281081698, 3.8155683417551476, -0.9774391350934969], [-0.014566492594559994, -0.017478462041473797, 7.916450703388983]], "pbc": [true, true, tr... | 1.007904 | 1.092964 | [
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... | 6 | 6 | 0.25774 | 2.032057 | 0.265293 | 2.021393 | mattergen | mattergen_base |
mtgn_2921128_Er1Ni1As1H1 | Er1 Ni1 As1 H1 | Er1 Ni1 As1 H1 | P3m1 | 156 | -0.010342 | 2026-01-28 02:02:29 | 1,064 | 3.495167 | 4.43765 | 4.437956 | 0.942483 | 0.000306 | 0.942789 | 0.942789 | -24.476498 | 3.081427 | 4.114576 | 4.114225 | -21.810566 | 0.031448 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8363478454400544, -0.0011789325902949, 0.001164338027138], [0.0017090653033144, 3.4930521265373504, -2.0120003704762124], [-0.0011393873349765, -0.0039773750218677, 4.031266862913902]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6832689788816655, -0.0013335734503485558, 0.0008581148185704389], [0.001689959920494227, 3.544746253208493, -2.042160285775533], [-0.00144529588055179, -0.004827656385474011, 4.090322707297987]], "pbc": [true, true, t... | 3.770076 | 4.114576 | [
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0.0756309... | 6 | 6 | 0.08448 | 0.232968 | 0.089461 | 0.219837 | mattergen | mattergen_base |
mtgn_6002035_ | Yb1 O1 | Yb4 O4 | Fm-3m | 225 | -0.057601 | 2026-01-28 01:01:57 | 1,064 | 2.86673 | 2.86729 | 2.866913 | 0.00056 | 0.000376 | 0.000184 | 0.00056 | -12.321872 | 2.699766 | 2.698175 | 2.699628 | -13.063667 | 0.001274 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.936854050289575, 0.0002535780879324, 1.6943983168394146], [0.9801812656318376, 2.76904543450904, 1.6927674540717563], [0.0011526053375553, 0.0026465371708726, 3.3908059674463003]], "pbc": [true, true, true], "a": 3.39... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.90491586957009, 0.00025523728513205806, 1.6756208990614512], [0.9695472073343515, 2.738928033822887, 1.6738926785229087], [0.0007378031620312614, 0.0022025790912754127, 3.3540329665168094]], "pbc": [true, true, true],... | 2.69919 | 2.699766 | [
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cd-251023-96b4f980e05645f6ae1aad7521653511 | Rb2 Te1 Se2 | Rb4 Te2 Se4 | Immm | 71 | -0.007937 | 2026-01-28 10:14:57 | 1,064 | 4.122246 | 3.128259 | 2.944528 | 0.993987 | 0.18373 | 1.177717 | 1.177717 | -16.075531 | 0.121281 | 0.070726 | 0.061215 | -16.081327 | 0.004509 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9427384029261985, 0.0005822538485848, 1.3257448116094128], [1.4669873617671734, 6.351848716213188, 2.16157194388646], [-0.1131387780461903, -0.0536492531098228, 6.863784620037886]], "pbc": [true, true, true], "a": 4.1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.128810952767096,0.0,1.3881283650426686],[1.5474956468431544,6.272597470645836,2.226823695888582],[0.0,0.0,6.83442717]],"pbc":[true,true,true],"a":4.35591325,"b":6.83366414,"c":6.83442717,"alpha":70.98226172,"beta":71.41707959... | 0.084407 | 0.121281 | [
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0.0098836... | 1 | 1 | 1.006647 | 0.296705 | 1.053108 | 0.311089 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
mtgn_764826_Eu1P1Pt3 | Eu1 P1 Pt3 | Eu1 P1 Pt3 | P4mm | 99 | -0.027109 | 2026-01-28 08:53:18 | 1,064 | 4.424404 | 4.423886 | 3.611731 | 0.000518 | 0.812155 | 0.812673 | 0.812673 | -38.482869 | 3.111888 | 3.109529 | 2.317628 | -38.701363 | 0.013276 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.006955499683352, 0.0021006838756653, -0.0015763444737818], [-0.0018780002972592, 4.007338990604641, -0.0050562901880315], [0.0041013181921358, 0.006037263342681, 5.471908339102151]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.137634621093479, 0.002278071653397503, -0.0035823024237494824], [-0.0024843853636735192, 4.1374924153129236, -0.0038779996753126973], [0.005369368932291961, 0.005504951732214429, 5.383428196863627]], "pbc": [true, tru... | 2.846348 | 3.111888 | [
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0.0665977890... | 6 | 6 | 1.520946 | 1.678067 | 1.774571 | 1.678663 | mattergen | mattergen_base |
mtgn_3494307_Lu2Sn2Ru2 | Lu2 Sn2 Ru2 | Lu2 Sn2 Ru2 | P4/nmm | 129 | -0.007417 | 2026-01-28 06:01:19 | 1,064 | 4.521415 | 4.518849 | 3.117693 | 0.002567 | 1.401155 | 1.403722 | 1.403722 | -38.146622 | 2.511094 | 2.512487 | 2.816489 | -38.993904 | 0.015548 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.440212832022375, -0.000472816509853, 0.0036357570621145], [0.0006176202864875, 4.440155821792535, 0.0050323848595589], [-0.0050466790915874, -0.0019363465104891, 6.534538884019493]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.494234340813127, -0.0007551772803683415, 0.0027682613596072907], [0.00034843908300532053, 4.494024612548504, 0.004052356763947964], [-0.006466993484642618, -0.003512429701988685, 6.634113143550914]], "pbc": [true, tru... | 2.613357 | 2.816489 | [
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cd-251023-1edbf92241e1478db3ef05a12c40be00 | Rb2 Te1 Se2 | Rb4 Te2 Se4 | Immm | 71 | -0.007917 | 2026-01-28 14:05:45 | 1,064 | 4.121788 | 3.132053 | 2.945022 | 0.989735 | 0.187031 | 1.176766 | 1.176766 | -16.075452 | 0.120979 | 0.071119 | 0.061273 | -16.080833 | 0.004523 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9423049238660277, -7.58393536831e-05, 1.3245500250330977], [1.4648401944909428, 6.347438195402657, 2.17139562618968], [-0.1124810800724286, -0.0598698241316532, 6.865308082877811]], "pbc": [true, true, true], "a": 4.1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.124848862780466,0.0,1.3860574702166453],[1.543163604921587,6.265706955134081,2.24136580658262],[0.0,0.0,6.83385656]],"pbc":[true,true,true],"a":4.35149784,"b":6.83111691,"c":6.83385656,"alpha":70.84582837,"beta":71.42630037,"... | 0.084457 | 0.120979 | [
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0.0099386... | 1 | 1 | 1.00864 | 0.296504 | 1.053304 | 0.31088 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-ecc3628e39724ce99ba708421e727c00 | Cs1 Rb2 | Cs2 Rb4 | C2/m | 12 | 0.000096 | 2026-01-29 03:09:08 | 1,064 | 1.411381 | 1.415798 | 0.533232 | 0.004416 | 0.882566 | 0.878149 | 0.882566 | -2.710388 | 0.695843 | 0.693602 | 2.062047 | -2.713315 | 0.023636 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.139447965702337, -0.0722164692187786, 0.0967713685851381], [-2.510977428618105, 4.489950336243467, -0.0291221673168125], [-0.2526264698318557, -0.041635299200615, 12.8122052677244]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.273187364178033,0.0,0.20082221583563142],[-2.51249133504025,4.504627129214325,-0.06398942353672732],[0.0,0.0,12.97810313]],"pbc":[true,true,true],"a":5.27701,"b":5.158330439999999,"c":12.97810313,"alpha":90.71077609000001,"be... | 1.150497 | 2.062047 | [
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cd-251119-82095329a3964912b307a7f330a1368c | Ta1 Mo15 | Ta1 Mo15 | P-1 | 2 | 0.000061 | 2026-01-29 03:29:05 | 1,064 | 5.264396 | 5.453241 | 4.742309 | 0.188844 | 0.710932 | 0.522087 | 0.710932 | -176.473623 | 1.348654 | 1.595849 | 1.706837 | -175.124039 | 0.00277 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.181605793076543, -0.0049083505966757, 0.2729572736357636], [-0.4384018669322789, 5.102598550576496, -0.7916781811554988], [0.0132366153992456, 0.0056189618245272, 9.263888235584139]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.261730359626965,0.0,0.2693651753214705],[-0.43899123151831226,5.188195470055131,-0.805620163417535],[0.0,0.0,9.39738708]],"pbc":[true,true,true],"a":5.26862069,"b":5.26869143,"c":9.39738708,"alpha":98.79543323,"beta":87.06940... | 1.550447 | 1.706837 | [
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0.4501248341... | 6 | 6 | 0.74673 | 2.513391 | 0.788227 | 2.618045 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-267b12a3977448e381e9c70e7793817d | K3 N1 O4 | K3 N1 O4 | P1 | 1 | -0.000139 | 2026-01-28 19:22:20 | 1,064 | 0.985934 | 1.590248 | 1.571134 | 0.604314 | 0.019114 | 0.5852 | 0.604314 | -39.33713 | 0.709835 | 0.521334 | 0.463423 | -39.752403 | 0.049696 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.147859260978909, -0.0642148399642213, -0.0998634235917993], [0.0135266162287438, 5.4528385703467555, -5.331830282351173], [-0.0808289580524656, -0.0995100904749206, 5.378428790800794]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.223195569974383,0.0,-0.021808863546587974],[0.0013809750885958668,5.397813689396685,-5.27030095095778],[0.0,0.0,5.41705872]],"pbc":[true,true,true],"a":5.2232411,"b":7.54403517,"c":5.41705872,"alpha":134.3151926,"beta":90.239... | 0.564864 | 0.709835 | [
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mtgn_3291841_Zn4F8 | Zn4 F8 | Zn2 F4 | P4_2/mnm | 136 | -0 | 2026-01-28 16:51:11 | 1,064 | 1.625208 | 1.592703 | 1.592671 | 0.032506 | 0.000031 | 0.032537 | 0.032537 | -46.460957 | 0.0012 | 0.001193 | 0.001193 | -47.881001 | 0.001501 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1930500572929863, -5.41261283247e-05, -0.0010983517722331], [0.0020586920847623, 6.717183569936477, -0.0020245893147274], [-0.0004577489340076, 0.0011082170377439, 6.718045353319706]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.186042633230843, -0.00047519501920938466, -0.0004751408688620416], [0.001172477675151104, 6.795461401091658, -0.0022302735910183793], [0.0008803118544402407, 0.0009384421386115898, 6.795416368487353]], "pbc": [true, t... | 0.001195 | 0.0012 | [
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mtgn_3300495_Rb2Sb2F8 | Rb2 Sb2 F8 | Rb4 Sb4 F16 | Cm | 8 | -0.000642 | 2026-01-28 21:01:40 | 1,064 | 1.558205 | 1.645207 | 1.643504 | 0.087002 | 0.001703 | 0.085299 | 0.087002 | -55.485038 | 0.001348 | 0.002279 | 0.002251 | -56.143387 | 0.031537 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.118220428658675, -0.0596019398636339, -0.2077687453615291], [0.2244791825480796, 6.390281404474642, -0.3335657155208736], [0.0493057528989435, -0.0249629152650423, 6.381300500072473]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.212578079155133, -0.026768675929323783, -0.2505248697373101], [0.2639379993308106, 6.451551356024507, -0.39015855233928776], [0.006650602764538185, -0.07591427411582798, 6.457841308968304]], "pbc": [true, true, true],... | 0.001959 | 0.002279 | [
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mtgn_786150_Cs2B4Pt4 | Cs2 B4 Pt4 | Cs2 B4 Pt4 | C2/m | 12 | -0.00887 | 2026-01-28 14:43:27 | 1,064 | 2.764029 | 3.038373 | 2.489227 | 0.274343 | 0.549145 | 0.274802 | 0.549145 | -56.347717 | 0.047503 | 0.164035 | 0.059597 | -55.359047 | 0.006919 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.819963338875919, -0.0022552853005568, -1.901090689368604], [-0.0589711781701922, 6.6052967599767465, -0.1603241942389869], [-0.0088443278882368, 0.2216633066345662, 7.029300217704364]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.867904206880917, -0.0028642900116380063, -1.9195024928731532], [-0.06127391471029892, 6.612563386402156, -0.16410863397280218], [-0.02083219106229657, 0.21872903475845484, 7.0672692093657385]], "pbc": [true, true, tru... | 0.090378 | 0.164035 | [
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cd-251023-357a38e51f094de4afdeae859baab629 | K2 Te6 | K2 Te6 | P-1 | 2 | 0.000048 | 2026-01-29 04:15:53 | 1,064 | 6.590566 | 3.352936 | 4.74851 | 3.23763 | 1.395575 | 1.842056 | 3.23763 | -24.306633 | 1.280452 | 0.947036 | 0.653489 | -24.297564 | 0.05442 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.279026961607051, -0.0671948153271056, -0.0177765020068621], [-0.1267285612402899, 6.318728015059728, -0.2779535466373743], [0.0575504851080855, -0.2964301880313618, 10.950642084385525]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.385934497926668,0.0,-0.03980815188212917],[-0.02883188376592502,6.116548988609496,-0.12310841075350139],[0.0,0.0,11.1514851]],"pbc":[true,true,true],"a":4.38611515,"b":6.117855709999999,"c":11.1514851,"alpha":91.15302956,"bet... | 0.960326 | 1.280452 | [
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0.0682594... | 1 | 1 | 2.410845 | 1.364301 | 2.360054 | 1.337018 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251116-a131c64e2c6444b085362b07c39c2912 | B2 N2 | B2 N2 | Pm | 6 | -0 | 2026-01-28 16:46:47 | 1,064 | 2.212062 | 2.199641 | 1.726558 | 0.012422 | 0.473083 | 0.485505 | 0.485505 | -35.160099 | 0.004498 | 0.00441 | 0.001332 | -35.134705 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.4981728784506574, 0.0151222546196649, -0.2288384876030803], [1.2704626223326605, 2.1437498653124254, 0.2846542688683144], [-0.4410935097934875, 0.8157117448185688, 7.155207387077717]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.5096874392542294,0.0,-0.11646837310630691],[1.2657872766204445,2.1629857939855848,0.17714427776318778],[0.0,0.0,9.5003401]],"pbc":[true,true,true],"a":2.51238849,"b":2.5123903099999993,"c":9.5003401,"alpha":85.9568193,"beta":... | 0.003413 | 0.004498 | [
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0.023535566826... | [
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-0.02030054359... | 2 | 2 | 0.371376 | 0.010349 | 0.420148 | 0.009607 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251116-3e16fdfca20744489cbcaa7f9de7fd4b | Na4 Ge2 S6 | Na4 Ge2 S6 | Pm | 6 | 0.002519 | 2026-01-29 08:39:12 | 1,064 | 2.425408 | 2.404069 | 2.429336 | 0.021339 | 0.025268 | 0.003928 | 0.025268 | -48.401841 | 0.287931 | 0.02111 | 0.016589 | -48.788349 | 0.023857 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.738331796851606, 0.0146049777267017, 0.0093896745940952], [-0.0641439783905182, 6.418709741020985, -0.1170696782943066], [0.0162441573387271, -0.1229881608820691, 11.906265149301944]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.758983037369164,0.0,0.004241193603408828],[-0.08985966480083701,6.576838772736934,-0.05016902468264218],[0.0,0.0,12.06692831]],"pbc":[true,true,true],"a":3.7589854300000005,"b":6.577643949999999,"c":12.06692831,"alpha":90.437... | 0.108543 | 0.287931 | [
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-0.... | 6 | 6 | 0.093344 | 0.139057 | 0.087729 | 0.129974 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251120-ac29ca2c9c3c47f5bf89d08ec9fdefda | Sn4 Sb4 | Sn8 Sb8 | C2/m | 12 | 0.000201 | 2026-01-29 03:18:17 | 1,064 | 5.316852 | 4.9375 | 4.67622 | 0.379352 | 0.26128 | 0.640632 | 0.640632 | -31.792757 | 7.814455 | 8.198805 | 7.388981 | -32.466667 | 0.025216 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.308048603965327, 0.0092549902231648, -0.6905830216315213], [-0.2896257793655571, 3.8527597292756104, -2.046524705465434], [-0.1265211576724779, -0.2472934946112765, 14.216400339054633]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.337418829018104,0.0,-0.6612062536943453],[-0.3079186587130594,3.887808072576238,-2.0094965402092533],[0.0,0.0,14.41129267]],"pbc":[true,true,true],"a":4.3875273,"b":4.38724764,"c":14.41129267,"alpha":117.26014074,"beta":98.66... | 7.800747 | 8.198805 | [
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0.08388... | 6 | 6 | 0.454066 | 7.18227 | 0.508827 | 7.548821 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251207-b34fef335dd849abab07903dd5571c84 | Ca1 Mo1 N2 | Ca1 Mo1 N2 | P-6m2 | 187 | -0.010517 | 2026-01-28 14:44:40 | 1,064 | 4.382555 | 4.382681 | 3.252489 | 0.000126 | 1.130192 | 1.130066 | 1.130192 | -32.984539 | 0.102417 | 0.102437 | 0.019616 | -32.850662 | 0.001011 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9940335773792555, -0.0002593421475572, 0.0006589599786932], [-1.4963257496430218, 2.5930150950364284, -0.000658519184664], [-0.0006523576585632, 0.0004131151248212, 5.724754703353239]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.02650666217177,0.0,0.001007902050133636],[-1.5123277710399612,2.620919616841095,-0.0010237358685024642],[0.0,0.0,5.77009436]],"pbc":[true,true,true],"a":3.02650683,"b":3.0259471200000005,"c":5.77009436,"alpha":90.01938426,"be... | 0.074823 | 0.102437 | [
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0.14864049... | 6 | 6 | 1.044979 | 0.183687 | 1.088225 | 0.162887 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=929-step=36270.ckpt |
cd-251023-2f9f61eaa08e459f90e85a3b78874e77 | Na6 O6 | Na6 O6 | P-62m | 189 | -0.000002 | 2026-01-28 16:52:58 | 1,064 | 1.791035 | 1.520889 | 1.520889 | 0.270145 | 0 | 0.270145 | 0.270145 | -50.902751 | 0.002261 | 0.00217 | 0.00217 | -50.566261 | 0.007658 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.372826047300463, 2.80577662174e-05, 0.0005715512532336], [0.0002524715992452, 5.29413712345959, -3.0566912740249523], [-0.0008105872194649, 7.1955584831e-05, 6.1131467155255]], "pbc": [true, true, true], "a": 4.372826... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.534468054304201,0.0,0.0011882740779726151],[-0.00019288378536513447,5.420256040603683,-3.130004635881784],[0.0,0.0,6.25964015]],"pbc":[true,true,true],"a":4.534468210000001,"b":6.25908177,"c":6.25964015,"alpha":120.00490204,"... | 0.0022 | 0.002261 | [
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-0.119... | 7 | 7 | 0.158394 | 0.039529 | 0.188309 | 0.058053 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
mtgn_6010464_ | Rb1 Sb1 F6 | Rb4 Sb4 F24 | Fm-3m | 225 | -0.000006 | 2026-01-28 18:46:46 | 1,064 | 1.341231 | 1.341231 | 1.341305 | 0 | 0.000075 | 0.000075 | 0.000075 | -36.533445 | 0.000559 | 0.000559 | 0.000559 | -37.089657 | 0.002154 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.760120655672302, -0.0008751868463956, 3.3317886946556703], [1.9222275188217697, 5.425447048555185, 3.3375699625958437], [-0.0002896106631836, -0.0076030604596691, 6.658985697778977]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.79293600790452, -0.0018575436462817225, 3.3496131541365717], [1.9328392093945626, 5.455228290272157, 3.3544201771456046], [-0.0006332708444752876, -0.00912224833944542, 6.695203572363996]], "pbc": [true, true, true], ... | 0.000559 | 0.000559 | [
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cd-251207-5674f212f7fa4e6e9ead9ceb59fa8f81 | Mo9 W3 | Mo9 W3 | Pm | 6 | 0.000034 | 2026-01-28 23:40:26 | 1,064 | 4.437714 | 3.391552 | 3.082108 | 1.046162 | 0.309444 | 1.355606 | 1.355606 | -137.580254 | 4.797448 | 3.020269 | 3.645736 | -136.578232 | 0.00157 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.12623682714235, -3.70022514163e-05, 3.5590036669e-06], [-5.07376874162e-05, 6.25392141877425, 0.0011069025565778], [1.33144436921e-05, -0.0015213674581531, 9.387781415935667]], "pbc": [true, true, true], "a": 3.126236... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.174387989999879,0.0,-8.770377556606472e-7],[0.000023614550538071865,6.348441925342648,0.002151616724107326],[0.0,0.0,9.52296731]],"pbc":[true,true,true],"a":3.17438799,"b":6.34844229,"c":9.52296731,"alpha":89.98058129,"beta":... | 3.821151 | 4.797448 | [
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0.491338678913... | 6 | 6 | 0.918038 | 2.192963 | 0.988635 | 2.317052 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=224-step=8775.ckpt |
cd-251023-fb004474a6b844dc81dc29ac4ed15624 | Mo1 W1 Se4 | Mo1 W1 Se4 | P1 | 1 | 0.000052 | 2026-01-29 08:13:39 | 1,064 | 3.070114 | 3.06995 | 2.209357 | 0.000163 | 0.860593 | 0.860756 | 0.860756 | -41.631415 | 0.056545 | 0.056532 | 0.007695 | -41.472462 | 0.001463 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2914419180793724, -0.000123510403998, 0.0112673427565353], [-1.645866071468153, 2.850229964099684, 0.0252122715596909], [-0.0001395996375018, -0.0009497423506494, 28.32385362624647]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.325119489294861,0.0,0.011314687811375004],[-1.6625984669401408,2.879540190124714,0.02536542859286889],[0.0,0.0,28.39709109]],"pbc":[true,true,true],"a":3.32513874,"b":3.32515094,"c":28.39709109,"alpha":89.56292327,"beta":89.8... | 0.040257 | 0.056545 | [
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0.23247... | 6 | 6 | 0.837901 | 0.063916 | 0.852998 | 0.074123 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-bcb912eaa9e549f490fe6e7110919fe8 | Na1 Hf2 N3 | Na1 Hf2 N3 | P-3m1 | 164 | -0.008597 | 2026-01-28 14:46:32 | 1,064 | 3.115994 | 3.115994 | 2.591414 | 0 | 0.52458 | 0.52458 | 0.52458 | -55.141343 | 0.020443 | 0.020459 | 0.011133 | -54.948479 | 0.016576 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2236659230596816, -9.42460760225e-05, 0.001900476145871], [-1.6117908925363356, 2.7905340487878196, 0.0003763081556668], [-0.0016036691529963, -0.0037418398483588, 8.206663466653655]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.25347262019818,0.0,0.0025886029272132603],[-1.6266120471266892,2.817440113323991,0.0013605394013807488],[0.0,0.0,8.40239364]],"pbc":[true,true,true],"a":3.25347365,"b":3.2532810200000006,"c":8.40239364,"alpha":89.9760386,"bet... | 0.017345 | 0.020459 | [
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0.051596... | 0 | 0 | 0.23508 | 1.036046 | 0.243027 | 1.345044 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
mtgn_721110_Rb1N1O3 | Rb1 N1 O3 | Rb3 N3 O9 | R3m | 160 | -0 | 2026-01-28 18:24:39 | 1,064 | 1.643321 | 1.675919 | 1.57826 | 0.032598 | 0.09766 | 0.065062 | 0.09766 | -29.139324 | 0.002252 | 0.002476 | 0.001774 | -29.199951 | 0.007928 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4431941226797615, -0.1014229981814751, 1.0584146885779682], [0.8170625033371719, 4.36852174044328, 1.0620461978864224], [-0.1170420065543386, -0.0995706894471869, 4.571682223087229]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.536837557048326, 0.024210120595513886, 1.242217640807363], [0.9590222066307844, 4.441575801607301, 1.247680853796914], [0.03495873523646828, 0.025561655823567623, 4.717341924167289]], "pbc": [true, true, true], "a": 4... | 0.002167 | 0.002476 | [
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-0.06426335... | 7 | 7 | 0.224947 | -0.025975 | 0.228386 | -0.025955 | mattergen | mattergen_base finetuned on dn and k_1064 (NOEMD) |
mtgn_3250852_Al1Zn2P1N4 | Al1 Zn2 P1 N4 | Al2 Zn4 P2 N8 | I-4 | 82 | -0.004724 | 2026-01-28 21:16:53 | 1,064 | 2.335234 | 2.33202 | 2.317718 | 0.003214 | 0.014302 | 0.017516 | 0.017516 | -50.003761 | 0.004304 | 0.004267 | 0.004207 | -50.362007 | 0.001759 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0343024611068525, 0.0004517804824479, -1.9053421281244758], [-0.9004042720451808, 3.9317882973453604, -1.9054809264299246], [0.0195456341097787, 0.0255479686036853, 5.265126587710486]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.050425497025313, 0.0005330524182015466, -1.9127620356645425], [-0.9039866285141313, 3.9476462929461036, -1.9130312335977988], [0.026888515218274015, 0.03459655689445818, 5.301014854436709]], "pbc": [true, true, true],... | 0.004259 | 0.004304 | [
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-0.0... | 2 | 2 | 0.120331 | 0.022324 | 0.114609 | 0.026451 | mattergen | mattergen_base |
mtgn_813878_K2Na1Al1F6 | K2 Na1 Al1 F6 | K8 Na4 Al4 F24 | Fm-3m | 225 | -0 | 2026-01-28 21:20:02 | 1,064 | 1.432027 | 1.432027 | 1.431992 | 0 | 0.000035 | 0.000035 | 0.000035 | -50.011146 | 0.000419 | 0.000419 | 0.000419 | -50.483852 | 0.005587 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.002423007608766, -0.0027145365668876, 2.8909436727876128], [1.6696509680514608, 4.717182314889938, 2.8876427030469434], [-0.0023543769475592, 0.0015676651463183, 5.775980751295386]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.056687060610398, -0.0023189823200101965, 2.9226306463238654], [1.6883208993263474, 4.768458443562711, 2.919020970051794], [-0.0019059208577165835, 0.0015849432776334196, 5.838469939685301]], "pbc": [true, true, true],... | 0.000419 | 0.000419 | [
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-0.1050... | 9 | 0 | 0.019747 | 0.000767 | 0.193462 | -0.015312 | mattergen | dft_band_gap |
mtgn_6074736_ | Na1 Sb1 F6 | Na4 Sb4 F24 | Fm-3m | 225 | -0.000001 | 2026-01-28 18:44:22 | 1,064 | 1.383293 | 1.383402 | 1.383402 | 0.000108 | 0 | 0.000108 | 0.000108 | -36.633444 | 0.000687 | 0.000687 | 0.000687 | -37.054489 | 0.009567 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.882773922147965, 0.007398601672724, 0.0014303654788839], [2.931486960864548, 4.1700910338080375, 2.941444627363248], [-0.0004775986313622, 0.0046114219818075, 5.891103930021746]], "pbc": [true, true, true], "a": 5.882... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.9836918886306565, 0.007958571775963296, 0.0024283574970310902], [2.9825650024423767, 4.245914775238707, 2.9916260833821378], [0.0004890815336809938, 0.00558994994551305, 5.989366153748415]], "pbc": [true, true, true],... | 0.000687 | 0.000687 | [
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-0.159478... | 9 | 9 | 0.004347 | -0.004212 | 0.002936 | -0.002747 | mattergen | mattergen_base |
cd-251116-8e775f5290bd4bf0b3976473c1a5865a | Na4 Te2 S6 | Na4 Te2 S6 | P2_1 | 4 | -0.000028 | 2026-01-29 02:30:14 | 1,064 | 2.789344 | 2.697819 | 2.756544 | 0.091524 | 0.058725 | 0.0328 | 0.091524 | -44.3746 | 0.030617 | 0.026985 | 0.023091 | -44.323269 | 0.016284 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.6909510820581435, -0.0028770984589373, 0.0053161492669746], [0.0052070376444109, 5.45281414358398, -1.6329796264212433], [-0.0051762338393995, 0.0044756229791456, 9.234614327970842]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.870393576899573,0.0,0.008513348124618262],[0.007279885929080301,5.6088192605531795,-1.6403255177011387],[0.0,0.0,9.25863749]],"pbc":[true,true,true],"a":5.870399749999999,"b":5.84376371,"c":9.25863749,"alpha":106.30179369,"be... | 0.026897 | 0.030617 | [
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0.01... | 6 | 6 | 0.07829 | 0.247149 | 0.053046 | 0.267822 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251207-655b2a4a0d8049a9bcccd7c9d9485347 | Hf10 C8 N1 O1 | Hf10 C8 N1 O1 | Pm | 6 | 0.000409 | 2026-01-28 23:45:26 | 1,064 | 2.65539 | 2.036209 | 2.014863 | 0.619181 | 0.021345 | 0.640526 | 0.640526 | -211.702096 | 2.293053 | 5.18827 | 4.563362 | -211.503754 | 0.004869 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2547469813138648, 0.0001801591177251, 0.0004571562789288], [-5.49920519766e-05, 6.943153234130031, -3.9353819342913408], [-0.0017484030780091, 0.0118264038842528, 10.799751574929523]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.276519649892979,0.0,0.0009917949535284125],[-0.0010817874265026724,6.990823152248036,-3.972494261814737],[0.0,0.0,10.88058645]],"pbc":[true,true,true],"a":3.2765198,"b":8.04066665,"c":10.88058645,"alpha":119.60714955,"beta":8... | 4.014895 | 5.18827 | [
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0.27378... | 6 | 6 | 1.111787 | 1.994401 | 1.216185 | 2.056 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=209-step=8190.ckpt |
mtgn_726368_Rb1C1N1O1 | Rb1 C1 N1 O1 | Rb3 C3 N3 O3 | R3m | 160 | -0.000024 | 2026-01-28 20:43:39 | 1,064 | 1.462703 | 1.431049 | 1.713856 | 0.031654 | 0.282808 | 0.251153 | 0.282808 | -27.409126 | 0.00082 | 0.000664 | 0.001896 | -27.437325 | 0.001271 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.16664065532106, 0.0008488930192367, 1.6882479724541057], [1.75412991765469, 3.7845601701541174, 1.6836800741709637], [-0.0015830791244655, 0.0040631214783524, 6.037008876686744]], "pbc": [true, true, true], "a": 4.495... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.19030884191291, 0.0006605082404288592, 1.7021484589028328], [1.7646360482597077, 3.808007682402145, 1.6957709625584931], [0.011295150413530105, 0.009441615343149568, 6.054898277155787]], "pbc": [true, true, true], "a"... | 0.001127 | 0.001896 | [
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... | 8 | 8 | 0.235258 | 0.000467 | 0.230599 | 0.000526 | mattergen | mattergen_base finetuned on dn and k_1064 (NOEMD) |
cd-251023-74d7f0073ed74700b7a155792efe48e4 | K12 O4 | K6 O2 | P-1 | 2 | -0.000349 | 2026-01-29 04:45:12 | 1,064 | 1.13486 | 0.772581 | 1.260756 | 0.362279 | 0.488175 | 0.125896 | 0.488175 | -44.97141 | 0.445429 | 1.321091 | 1.046951 | -45.751575 | 0.018125 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.076707066585052, -0.0012853875673346, -0.1890885592203724], [-0.1649432234467967, 10.769971417451114, -6.026631981788548], [0.0185205192123807, -0.0685480428963564, 8.229158205003918]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.227999190805119,0.0,-0.21169712562127962],[-0.15011978997071457,10.913497902813273,-6.133882237785675],[0.0,0.0,8.500359]],"pbc":[true,true,true],"a":7.23109867,"b":12.520043280000001,"c":8.500359,"alpha":119.33565233999998,"... | 0.937824 | 1.321091 | [
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-0.0774... | 6 | 6 | 0.372489 | 1.45592 | 0.368468 | 1.422517 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
mtgn_1377824_K1C1N1O1 | K1 C1 N1 O1 | K3 C3 N3 O3 | R3m | 160 | -0.000007 | 2026-01-28 20:50:57 | 1,064 | 1.460206 | 1.42685 | 1.753711 | 0.033356 | 0.326862 | 0.293506 | 0.326862 | -27.568364 | 0.000788 | 0.000631 | 0.001967 | -27.605991 | 0.007599 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9298343619871767, -0.0001609153174616, 1.4978742814818338], [1.6754524448664712, 3.5505630695368056, 1.5005323774664225], [-0.0005166693672992, -0.0046213467503618, 5.894132033203907]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9938174971643026, 0.0009349850304882408, 1.5234488104255342], [1.7041908970117057, 3.612401118847772, 1.5249260922494519], [0.07195807344968055, 0.03941629562121486, 5.80448808124266]], "pbc": [true, true, true], "a":... | 0.001129 | 0.001967 | [
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0.013... | 8 | 8 | 0.254502 | 0.009438 | 0.253994 | 0.009165 | mattergen | mattergen_base |
mtgn_729205_Rb1N3 | Rb1 N3 | Rb3 N9 | R-3m | 166 | -0.000014 | 2026-01-28 16:39:24 | 1,064 | 1.530262 | 1.45935 | 2.055415 | 0.070913 | 0.596066 | 0.525153 | 0.596066 | -26.529978 | 0.001634 | 0.001028 | 0.005571 | -26.545376 | 0.000854 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.161444452698206, -0.0001990047667948, 1.6494785233839993], [1.769032242075822, 3.770288591546979, 1.64797463316626], [0.0174431522057706, 0.0179670099348784, 6.073752972399716]], "pbc": [true, true, true], "a": 4.4764... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1784869874853525, 0.00014581791795532746, 1.658734686197372], [1.7774152204007172, 3.7843627114273204, 1.6551412106200964], [0.020522961801336476, 0.01658961917187932, 6.100253327612487]], "pbc": [true, true, true], "... | 0.002744 | 0.005571 | [
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0.05513... | 8 | 8 | 0.577362 | 0.044106 | 0.576208 | 0.042392 | mattergen | mattergen_base finetuned on dn and k_1064 (NOEMD) |
cd-251104-09f6ce551d464e9abc3e1129af8d10af | B3 N3 | B3 N3 | P3m1 | 156 | -0.000012 | 2026-01-28 17:05:48 | 1,064 | 2.199414 | 2.199095 | 1.688846 | 0.000318 | 0.510249 | 0.510568 | 0.510568 | -52.739373 | 0.004569 | 0.00457 | 0.001036 | -52.702488 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.5091016411700506, 0.0001423800877276, -0.0124559724984981], [-1.254766149515507, 2.1725862826823774, -0.0246535443995], [-0.0198960908856826, -0.0714363718660174, 10.492498289296055]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.513105713425636,0.0,-0.011728211189751961],[-1.256871842503262,2.176226067921934,-0.018988064502742874],[0.0,0.0,14.06405048]],"pbc":[true,true,true],"a":2.51313308,"b":2.5131747399999997,"c":14.06405048,"alpha":90.4328972,"b... | 0.003392 | 0.00457 | [
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-0.014733804... | 2 | 2 | 0.371573 | 0.010323 | 0.416681 | 0.010124 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-df3cfe63eb5540a8a3fe9bab795112e8 | Te4 Mo2 | Te4 Mo2 | C2 | 5 | 0.000031 | 2026-01-29 01:02:46 | 1,064 | 2.971124 | 2.971602 | 1.975003 | 0.000477 | 0.996598 | 0.996121 | 0.996598 | -36.048871 | 0.294585 | 0.296675 | 0.011747 | -35.905216 | 0.000361 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5165747497615247, 0.0001813895582199, -0.1067144954236812], [0.0072730806383056, 6.087319723578218, 0.2575105098853354], [0.0073611909220274, -0.0107540338296893, 23.96923579877101]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.557229386135634,0.0,-0.10772823883810623],[0.007043159037954424,6.153708057987797,0.2600755780086298],[0.0,0.0,23.95097569]],"pbc":[true,true,true],"a":3.55886025,"b":6.15920545,"c":23.95097569,"alpha":87.57993709,"beta":91.7... | 0.201002 | 0.296675 | [
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0.194241971996... | 6 | 6 | 1.787669 | 0.345672 | 1.800977 | 0.39587 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251207-3114942458ef429a9b134ae0fe8cd14b | Li1 N3 | Li2 N6 | C2/m | 12 | -0.000006 | 2026-01-28 16:43:30 | 1,064 | 1.604276 | 1.558269 | 2.760069 | 0.046008 | 1.2018 | 1.155793 | 1.2018 | -27.427777 | 0.001465 | 0.001059 | 0.009003 | -27.522465 | 0.019537 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0458722137303713, -0.0009304058585408, 1.1996757432387553], [1.3414414515046014, 2.752563285519452, 1.1807807436659343], [0.0384640742434213, 0.0130550014853787, 5.260913423372972]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.0841936982032228,0.0,1.1893466122621905],[1.3570708656402006,2.788238804961389,1.1760137204152257],[0.0,0.0,5.31491712]],"pbc":[true,true,true],"a":3.30557047,"b":3.31646276,"c":5.31491712,"alpha":69.23114213,"beta":68.912042... | 0.003842 | 0.009003 | [
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mtgn_3617538_B1P1O4 | B1 P1 O4 | B2 P2 O8 | I-4 | 82 | -0.000003 | 2026-01-28 19:16:52 | 1,064 | 1.670419 | 1.668143 | 1.664362 | 0.002276 | 0.003781 | 0.006057 | 0.006057 | -45.722792 | 0.000748 | 0.000749 | 0.000751 | -45.717796 | 0.009754 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.834304487467899, 0.0068118039344423, -2.117198262362656], [-1.175604842932147, 3.6502187952528007, -2.115835136582494], [0.01605835735813, 0.0227766966684639, 4.562936845997382]], "pbc": [true, true, true], "a": 4.380... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.874697641374532, 0.004307340827597436, -2.1422023656056206], [-1.1896229117448718, 3.6883991661863105, -2.1393406640143784], [0.004138166818372938, 0.008266300163744184, 4.594910498851554]], "pbc": [true, true, true],... | 0.00075 | 0.000751 | [
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mtgn_6009141_ | K1 Sb1 F6 | K4 Sb4 F24 | Fm-3m | 225 | -0.000004 | 2026-01-28 19:00:38 | 1,064 | 1.346997 | 1.34696 | 1.34696 | 0.000037 | 0 | 0.000037 | 0.000037 | -36.635194 | 0.000594 | 0.000594 | 0.000594 | -37.227753 | 0.002256 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.574896712445944, -0.0029919413570424, 3.222329576146171], [1.863926950747059, 5.249150463085327, 3.2252553844528657], [0.0057153282387155, -0.0008152891101224, 6.435220567938336]], "pbc": [true, true, true], "a": 6.43... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.604461230278844, -0.0021863421347026787, 3.2389966153174155], [1.8747814247263719, 5.27976478318386, 3.241601251719073], [0.004722243920315618, -0.001954946334559458, 6.47027424051029]], "pbc": [true, true, true], "a"... | 0.000594 | 0.000594 | [
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-0.1566... | 9 | 9 | 0.01185 | 0.001975 | 0.010945 | 0.001633 | mattergen | space_group |
mtgn_720302_K1N1O2 | K1 N1 O2 | K2 N2 O4 | Imm2 | 44 | -0.000012 | 2026-01-28 18:19:58 | 1,064 | 1.450828 | 1.683422 | 1.60966 | 0.232594 | 0.073762 | 0.158832 | 0.232594 | -23.062026 | 0.001275 | 0.00303 | 0.002454 | -23.148247 | 0.003394 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6999803330305583, 0.0050121479919644, 1.8215365014938925], [1.7026513963531242, 4.292339946745571, 1.2135826522383322], [-0.0428984778409972, 0.0020549922031856, 4.7746353771608385]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7882946114145275, 0.001376101512994949, 1.861582922972953], [1.739324874290786, 4.286548315665074, 1.2398307878595771], [0.0064405570298446515, 0.010578874916169514, 4.777475021268183]], "pbc": [true, true, true], "a"... | 0.002253 | 0.00303 | [
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cd-251116-9554e2db2eeb4f108fbdbfffab71b0c0 | Hg3 Se3 | Hg6 Se6 | C2 | 5 | 0.000078 | 2026-01-29 01:09:28 | 1,064 | 3.043653 | 3.162252 | 3.16668 | 0.118598 | 0.004428 | 0.123026 | 0.123026 | -12.199277 | 1.189212 | 1.156692 | 1.138227 | -12.571319 | 0.001644 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.359283387433825, 0.0012181385534548, 0.0003263741201856], [-2.196138984503675, 6.546379615580248, -3.086833975463798], [1.27486693289e-05, -0.0012697290231481, 6.171383517287313]], "pbc": [true, true, true], "a": 4.35... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.426469168242201,0.0,0.0003226314808533822],[-2.2318393056892383,6.6560296199482725,-3.1363272253494157],[0.0,0.0,6.2730799]],"pbc":[true,true,true],"a":4.42646918,"b":7.688978180000001,"c":6.2730799,"alpha":114.07292725999999... | 1.161377 | 1.189212 | [
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0.040267... | 1 | 1 | 0.237464 | 0.730226 | 0.273316 | 0.887398 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-83654b41481f4705a87246191d71f9de | B2 S2 | B4 S4 | C2 | 5 | -0.000026 | 2026-01-29 00:47:18 | 1,064 | 1.943918 | 1.943815 | 1.646482 | 0.000103 | 0.297333 | 0.297436 | 0.297436 | -23.251854 | 0.004193 | 0.004193 | 0.001883 | -23.206892 | 0.003372 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.030503211846111, -0.00033636838109, 0.0925392206209952], [-1.511886205478788, 2.6239795591764663, -0.1494106570811839], [-0.0133626238337677, 0.0015373660265654, 16.589232665814908]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.052750923241497,0.0,0.09451004479693104],[-1.5227671614858156,2.6433597202402397,-0.15014342831674574],[0.0,0.0,16.50617607]],"pbc":[true,true,true],"a":3.0542135399999997,"b":3.0542942699999998,"c":16.50617607,"alpha":92.817... | 0.003423 | 0.004193 | [
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-0.... | 6 | 6 | 0.276648 | 0.055872 | 0.283243 | 0.051431 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251201-7c82e3a5d1b4460c9f7e4963a0566c63 | Rb4 Ta2 Nb1 W1 N8 | Rb4 Ta2 Nb1 W1 N8 | P2 | 3 | null | 2026-01-29 02:58:25 | 1,064 | 2.23497 | 2.400342 | 2.618035 | 0.165371 | 0.217694 | 0.383065 | 0.383065 | -129.301533 | 0.500991 | 0.321621 | 0.345412 | -129.600571 | 0.01326 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.039236335487893, 0.00078650127081, 0.010248428008631], [0.0038743029770807, 6.042068132167013, -0.000296335746142], [0.0028281582566261, -0.0001677953195407, 8.696401783348275]], "pbc": [true, true, true], "a": 6.0392... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.065541719901788,0.0,0.008402626429924797],[0.0031022884288530853,6.061664693200926,-0.00018885118717440396],[0.0,0.0,8.80944812]],"pbc":[true,true,true],"a":6.06554754,"b":6.061665490000001,"c":8.80944812,"alpha":90.00178505,... | 0.389341 | 0.500991 | [
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0.0221... | 6 | 6 | 0.386625 | 0.543128 | 0.403508 | 0.482262 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
mtgn_4039344_CaGe2F6 | Ca1 Ge2 F6 | Ca1 Ge2 F6 | P-3m1 | 164 | -0.00143 | 2026-01-28 20:04:55 | 1,064 | 1.534732 | 1.644113 | 1.64879 | 0.109381 | 0.004677 | 0.114058 | 0.114058 | -46.302802 | 0.001336 | 0.002767 | 0.002851 | -47.066151 | 0.020884 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.89458232323419, -0.0025011954136261, -0.0013571060663196], [0.0115357285820323, 5.139953917788469, -2.9707653927643953], [-0.0032079429929004, 0.0056431363160142, 5.9355681989092695]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.082996490294093, -0.006449986861298905, 0.0005042113343424296], [0.00754270740500501, 5.134814675052163, -2.9694122212270453], [-0.0014410800018274967, 0.004726510768773851, 5.931294263319357]], "pbc": [true, true, tr... | 0.002318 | 0.002851 | [
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cd-251027-f49714617916427dbd5df22147287f94 | Mo1 W5 | Mo1 W5 | P-1 | 2 | 0.000094 | 2026-01-29 03:36:50 | 1,064 | 5.879166 | 6.705326 | 6.201964 | 0.826161 | 0.503362 | 0.322798 | 0.826161 | -76.028236 | 0.979739 | 1.718343 | 1.650018 | -75.646599 | 0.001714 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.6954151663788735, 0.0023169327315278, 0.3610117050184651], [-0.7651005572249513, 5.038606143862907, -1.0825715225427468], [0.0006593504688503, -0.0017495314942512, 6.843889518841935]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.7372870861969347,0.0,0.366086297506954],[-0.7814574139907906,5.110270078968852,-1.0971902368176654],[0.0,0.0,6.94505195]],"pbc":[true,true,true],"a":2.76165888,"b":5.284823780000001,"c":6.94505195,"alpha":101.98241715,"beta":... | 1.449367 | 1.718343 | [
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0.52379569624486... | 6 | 6 | 1.104878 | 2.464655 | 1.169309 | 2.630919 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=504-step=9595.ckpt |
mtgn_3151633_Rb2Mg1F4 | Rb2 Mg1 F4 | Rb4 Mg2 F8 | I4/mmm | 139 | -0.000002 | 2026-01-28 18:24:18 | 1,064 | 1.492582 | 1.492582 | 1.492247 | 0 | 0.000335 | 0.000335 | 0.000335 | -32.318251 | 0.000536 | 0.000536 | 0.000536 | -32.680336 | 0.006834 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.938245370193155, 0.0069286788348526, -1.1252862029154636], [-0.3285038275964369, 3.925310753450955, -1.1249919785729832], [0.0232941769997366, 0.0223938080738086, 7.542643969403109]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9633712490770017, 0.00788225575678617, -1.1311515060768278], [-0.32942232001499194, 3.950411182286243, -1.1299070476411572], [0.03250236427034189, 0.0342262160132566, 7.613722218088977]], "pbc": [true, true, true], "a... | 0.000536 | 0.000536 | [
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-... | 8 | 8 | 0.003195 | -0.011853 | 0.000283 | -0.010597 | mattergen | mattergen_base |
cd-251023-c2057ef80d6a49f2b1cbe9131253b8ec | K2 Rb1 N1 O4 | K4 Rb2 N2 O8 | Cm | 8 | -0.001552 | 2026-01-28 21:30:55 | 1,064 | 1.565156 | 1.566085 | 1.567407 | 0.000929 | 0.001322 | 0.002251 | 0.002251 | -39.19941 | 0.114078 | 0.111903 | 0.112096 | -39.560112 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.417616223261048, 0.2994293223170029, 0.2562498054493244], [0.2303010778211968, 5.301055763640502, -0.3765742553704821], [0.2703948704107633, -0.2695397934329776, 5.30679676464299]], "pbc": [true, true, true], "a": 5.4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.605552247978895,0.0,-0.0237522203040125],[-0.0548715410009779,5.426869054410401,-0.10694974862506486],[0.0,0.0,5.43346012]],"pbc":[true,true,true],"a":5.60560257,"b":5.4282001499999994,"c":5.43346012,"alpha":91.12894985,"beta... | 0.112692 | 0.114078 | [
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-0.0495537... | 7 | 6 | 0.172978 | 0.446018 | 0.088913 | 0.123798 | crystal-diffusers | test_08-25_11-04/epoch=284-step=4560.ckpt |
cd-251029-2b126ff6cffe487d894f2e6edc15bc87 | Cs4 Hg2 Te4 | Cs4 Hg2 Te4 | Pbam | 55 | -0.000081 | 2026-01-29 02:38:05 | 1,064 | 2.055376 | 2.804037 | 2.264446 | 0.748661 | 0.539591 | 0.20907 | 0.748661 | -24.228447 | 0.008295 | 0.028655 | 0.014684 | -24.767159 | 0.013091 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.196322901466176, 0.0005681820590158, 0.0028160118609031], [-0.0107534877404001, 8.763024784566337, 0.001133206453604], [-0.0024852026396906, -0.0033347822157539, 10.942520680184785]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.91054427713783,0.0,0.004254282074343716],[-0.010636748886114841,8.875615144309817,0.00381994481667149],[0.0,0.0,11.95831608]],"pbc":[true,true,true],"a":4.91054612,"b":8.875622339999998,"c":11.95831608,"alpha":89.975340690000... | 0.017211 | 0.028655 | [
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-0.048... | 1 | 1 | 0.485167 | 0.178273 | 0.494983 | 0.177683 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
mtgn_4086397_MgGeF6 | Mg1 Ge1 F6 | Mg3 Ge3 F18 | R-3 | 148 | -0.000033 | 2026-01-28 19:07:25 | 1,064 | 1.471326 | 1.471462 | 1.470816 | 0.000136 | 0.000646 | 0.00051 | 0.000646 | -39.708382 | 0.000646 | 0.000646 | 0.000646 | -40.337357 | 0.045337 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.432166235425956, 0.002253686118201, 2.468230474284227], [1.5263771858111035, 4.160825662090751, 2.4682260886698053], [-0.0529453852931619, -0.036284836080583, 5.306242420663368]], "pbc": [true, true, true], "a": 5.073... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.552593810141898, 0.003762266345308264, 2.534106569471193], [1.5689511925664312, 4.269018636519815, 2.534558112793955], [0.002510144188921727, 0.0032407334876343526, 5.345482372335537]], "pbc": [true, true, true], "a":... | 0.000646 | 0.000646 | [
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mtgn_3467084_Na2In2F8 | Na2 In2 F8 | Na2 In2 F8 | Cmmm | 65 | -0.000086 | 2026-01-28 20:08:48 | 1,064 | 1.469456 | 1.473228 | 1.486574 | 0.003772 | 0.013345 | 0.017118 | 0.017118 | -53.910874 | 0.001123 | 0.001154 | 0.001076 | -54.625774 | 0.013669 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.058130416666541, -0.0455738667311929, 0.0051050662710023], [0.1937164853000577, 5.066948948066626, 0.0047571710087676], [-0.0014202970933173, -0.002180209749267, 6.807821265855547]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.163324714092877, -0.008927408822754187, 0.006378279032730139], [0.2353648737340342, 5.1684863889464845, 0.006606598106234527], [0.0002491342674426148, 0.00018120590556955384, 6.819358125101392]], "pbc": [true, true, t... | 0.001118 | 0.001154 | [
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cd-251118-03bc19507a6c41eba9caaa30e027dbc8 | Ge2 S2 | Ge2 S2 | P-1 | 2 | -0.007174 | 2026-01-28 12:17:44 | 1,064 | 4.752897 | 4.744555 | 3.66171 | 0.008342 | 1.082845 | 1.091187 | 1.091187 | -18.247611 | 0.764481 | 0.713586 | 0.489921 | -18.510708 | 0.043309 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6341155498067583, 0.0009732157207268, -0.0430870366416894], [1.817510371367066, 3.1461838501022723, -0.0798740221501521], [-0.0534139124003912, -0.1301343540107197, 8.218820570561567]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.6005222252979125,0.0,-0.02288919258004478],[1.8001456422125504,3.118383057877896,-0.0225170600749938],[0.0,0.0,8.84587124]],"pbc":[true,true,true],"a":3.6005949799999994,"b":3.60074218,"c":8.84587124,"alpha":90.35829861000002... | 0.655996 | 0.764481 | [
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0.0724867... | 6 | 6 | 0.854448 | 0.643272 | 0.784618 | 0.633471 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251207-a369d00334f44a9ab75b2b6890eea5ad | Mo7 W5 | Mo7 W5 | Pm | 6 | 0.000096 | 2026-01-29 00:30:09 | 1,064 | 4.771368 | 5.599843 | 5.550472 | 0.828474 | 0.04937 | 0.779104 | 0.828474 | -141.680492 | 3.419365 | 1.631912 | 1.341805 | -140.803223 | 0.002533 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.424816553759081, 3.94709677324e-05, -8.97803686843e-05], [-9.44604517664e-05, 5.438225651214016, -0.0087752193273842], [0.0001758179498131, -0.011301157894468, 7.648050850902951]], "pbc": [true, true, true], "a": 4.42... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.494584135751268,0.0,-0.00019542918637188806],[-0.00014494282934621392,5.504146853413978,-0.0008437950379449271],[0.0,0.0,7.78640911]],"pbc":[true,true,true],"a":4.49458414,"b":5.50414692,"c":7.78640911,"alpha":90.00878354,"be... | 2.131027 | 3.419365 | [
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0.502354749701... | 6 | 6 | 1.000873 | 2.26457 | 1.059123 | 2.394201 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=309-step=12090.ckpt |
cd-251207-9a90af5e732d467e82e7248b429b76eb | Mo7 W3 | Mo7 W3 | Pm | 6 | 0.000038 | 2026-01-28 23:39:56 | 1,064 | 4.135157 | 4.848646 | 4.9653 | 0.713489 | 0.116654 | 0.830143 | 0.830143 | -115.63395 | 3.209334 | 1.477454 | 1.475943 | -114.876999 | 0.001641 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1175358232480788, 1.60320919055e-05, -2.0893294545e-05], [-1.82976629375e-05, 7.002843033687905, 0.0001840088693639], [0.0001308687484121, -0.0017371028759813, 7.005523998702936]], "pbc": [true, true, true], "a": 3.11... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1754169989898746,0.0,-0.0000800945712361173],[-0.00005529303322584693,7.101297862796081,0.0019472883692757837],[0.0,0.0,7.09894527]],"pbc":[true,true,true],"a":3.1754170000000004,"b":7.101298130000001,"c":7.09894527,"alpha":8... | 2.054244 | 3.209334 | [
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0.49551655854... | 6 | 6 | 0.95203 | 2.215276 | 1.010679 | 2.340006 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=329-step=12870.ckpt |
cd-251023-6a97aa5db07f4ae098c2e1c0d269eee5 | K8 P8 | K4 P4 | Cmcm | 63 | 0.000009 | 2026-01-29 02:14:21 | 1,064 | 0.534416 | 0.485203 | 2.285983 | 0.049213 | 1.80078 | 1.751567 | 1.80078 | -57.023803 | 1.567131 | 2.455468 | 0.12008 | -58.55201 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.401307765743342, 0.0257680805174157, -0.0014075816083527], [-1.5225207696604626, 6.2203173315691265, 0.0008643678244542], [-0.0002034040201221, -0.0005917936956371, 11.174367711483223]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.277393806169689,0.0,-0.001477295727815281],[-1.5174976530343183,6.091455171029806,0.00132815051838084],[0.0,0.0,11.7606781]],"pbc":[true,true,true],"a":6.27739398,"b":6.27762909,"c":11.7606781,"alpha":89.98787799999998,"beta"... | 1.380893 | 2.455468 | [
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0.0402006541... | 6 | 6 | 0.851809 | 0.37062 | 0.924412 | 0.357666 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
mtgn_6082945_ | Na2 P2 N4 | Na4 P4 N8 | I-42d | 122 | -0.000004 | 2026-01-28 20:08:08 | 1,064 | 2.061797 | 2.056844 | 2.051172 | 0.004953 | 0.005672 | 0.010625 | 0.010625 | -52.02513 | 0.002571 | 0.002552 | 0.002535 | -51.849762 | 0.009272 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.285548703800045, -0.0010248670565942, -2.4586750715166157], [-1.4078949483453338, 4.049319430197567, -2.4563393142331162], [-0.0048165275452233, -0.0103614407869842, 4.955706751594724]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.331473383782796, -0.00016155014832969927, -2.4850326597994457], [-1.4228069534303303, 4.092619783252012, -2.483806190393595], [-0.008254713876317267, -0.016616446687354482, 5.0029360979454625]], "pbc": [true, true, tr... | 0.002553 | 0.002571 | [
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-0.05... | 2 | 2 | 0.061004 | 0.000319 | 0.054114 | 0.002762 | mattergen | mattergen_base |
cd-251023-beec0b6902d34ce186ab45cdfa55b4c1 | B3 N3 | B2 N2 | C2 | 5 | -0.000043 | 2026-01-28 17:36:12 | 1,064 | 1.637956 | 2.187195 | 2.186715 | 0.549239 | 0.00048 | 0.548759 | 0.549239 | -52.738923 | 0.000824 | 0.004709 | 0.004687 | -52.703609 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6022510725812062, -0.0623705286804382, -0.2320503817763359], [-0.0912027465869512, 3.7621120507204195, -2.1725466165894236], [-0.0554746597504539, -0.0010696391230527, 4.34556919223256]], "pbc": [true, true, true], "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.8977867511562545,0.0,-0.18196870510519347],[-0.08847350437202055,3.767861802139502,-2.1759447422941207],[0.0,0.0,4.35195991]],"pbc":[true,true,true],"a":4.90116595,"b":4.35193585,"c":4.35195991,"alpha":119.99964757,"beta":92.... | 0.003407 | 0.004709 | [
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cd-251023-466cd621dbf341d2bc3ef49c110912ab | B2 O1 F4 | B2 O1 F4 | P1 | 1 | -0.00005 | 2026-01-28 19:28:46 | 1,064 | 1.394668 | 1.371933 | 1.409397 | 0.022735 | 0.037464 | 0.014729 | 0.037464 | -44.407489 | 0.00043 | 0.000364 | 0.000461 | -44.636978 | 0.037474 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.252737669103246, 0.1423389570440701, 0.4088719771780383], [-2.1476481388011677, 3.6309364796550945, -2.0126779093503777], [-0.033303978506505, -0.02585302839061, 4.914892791089045]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.304430462034336,0.0,0.47080828820312465],[-2.286300533283325,3.837946743616827,-2.1493254150386507],[0.0,0.0,5.26031932]],"pbc":[true,true,true],"a":5.32528337,"b":4.95747971,"c":5.26031932,"alpha":115.69319333,"beta":84.9278... | 0.000419 | 0.000461 | [
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-0.172512085042... | 4 | 4 | 0.056552 | 0.000833 | 0.044364 | 0.000562 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
mtgn_2929242_La2H2Br2N2 | La2 H2 Br2 N2 | La2 H2 Br2 N2 | P2_1/m | 11 | -0.00795 | 2026-01-28 14:00:45 | 1,064 | 2.15841 | 2.035218 | 2.083224 | 0.123192 | 0.048006 | 0.075186 | 0.123192 | -47.422633 | 0.00593 | 0.003759 | 0.004776 | -47.560734 | 0.021174 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.095864387660791, -0.0020759911198721, 0.0052445619663459], [0.000335300055575, 5.5767664512251365, 2.257988729500224], [-0.0086930716789557, -0.0721659940983042, 7.220088750548912]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.135138370530237, -0.0014507237656713736, 0.0054532709567656], [0.0011940823092289386, 5.668077638718763, 2.376301426551523], [-0.008512671528465545, 0.03484231896477083, 7.330707815194586]], "pbc": [true, true, true],... | 0.004822 | 0.00593 | [
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cd-251023-40cba8da81eb45b39c0eaa1d3ea92d4b | Al2 N2 | Al2 N2 | P6_3mc | 186 | -0 | 2026-01-28 16:37:59 | 1,064 | 2.160349 | 2.160256 | 2.206039 | 0.000093 | 0.045783 | 0.04569 | 0.045783 | -29.775774 | 0.002777 | 0.002777 | 0.00315 | -29.774586 | 0.000798 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1135166927028184, -6.52807175386e-05, -0.0015624149037373], [-1.5565040352478263, 2.696390181410577, 0.000810820417863], [0.0023223375196734, -0.0001334824329606, 4.995544468876782]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.126468289411187,0.0,-0.0030220806323702034],[-1.5629220298013924,2.7074394618969193,0.001613028579650586],[0.0,0.0,5.02008272]],"pbc":[true,true,true],"a":3.12646975,"b":3.12617279,"c":5.02008272,"alpha":89.97043678,"beta":90... | 0.002902 | 0.00315 | [
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0.02264917301... | 2 | 2 | 0.039613 | 0.011582 | 0.040565 | 0.011159 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-9bf29f2368c84658b710adfab00dfc38 | B2 O2 F2 | B4 O4 F4 | C2 | 5 | -0.000029 | 2026-01-28 19:14:33 | 1,064 | 1.501266 | 1.413966 | 1.427971 | 0.0873 | 0.014005 | 0.073296 | 0.0873 | -42.245888 | 0.000833 | 0.00046 | 0.000525 | -42.3769 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.195313777362334, -0.1283854425811859, -2.2428989756556543], [-2.5210791498599874, 4.151974356365855, -0.1343973062770439], [-0.1131722287319757, -0.3421705992242912, 4.906049494782824]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.14393314044449,0.0,-2.3195263981118805],[-2.2213259737367963,4.506463782610867,0.11662314651749832],[0.0,0.0,5.27473755]],"pbc":[true,true,true],"a":4.7489351,"b":5.02554533,"c":5.27473755,"alpha":88.67027088000002,"beta":119... | 0.000606 | 0.000833 | [
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mtgn_3588511_Sr1Ge1F6 | Sr1 Ge1 F6 | Sr3 Ge3 F18 | R-3 | 148 | -0.000107 | 2026-01-28 19:18:49 | 1,064 | 1.47136 | 1.472753 | 1.471428 | 0.001393 | 0.001325 | 0.000068 | 0.001393 | -41.310654 | 0.000612 | 0.000611 | 0.000612 | -41.97327 | 0.031621 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.689306068999538, -0.0098153841264237, -2.6713439238360404], [-3.0964063423524757, 4.961230334089657, -0.0097386922736655], [-0.017593104225314, -0.0030697175698203, 5.406068461134444]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.772074913505313, -0.005566467690055938, -2.7209065176265024], [-3.149495072881299, 4.972542862143409, -0.015041370249989276], [-0.0074705242589250785, -0.0021279485839227293, 5.5246900858847585]], "pbc": [true, true, ... | 0.000611 | 0.000612 | [
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cd-251023-0f79eff4c00b48879c38c48b2079bbdc | Rb6 Bi6 | Rb6 Bi6 | P2_1/m | 11 | 0.000037 | 2026-01-29 02:25:32 | 1,064 | 1.899313 | 2.872067 | 1.819095 | 0.972754 | 1.052972 | 0.080218 | 1.052972 | -32.885634 | 1.086366 | 0.346945 | 0.346711 | -33.043079 | 0.018144 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.812236157068955, 0.0005149326119441, -0.0004580050692995], [-0.0030256864490902, 7.114977728119155, 1.0581054560174192], [0.0014645996102843, 0.0126796329351721, 16.45245145143616]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.888060105415921,0.0,-0.0008538986646303633],[-0.003998074968385488,7.502836547628522,1.0444658292668303],[0.0,0.0,16.32625515]],"pbc":[true,true,true],"a":4.88806018,"b":7.575188519999999,"c":16.32625515,"alpha":82.0748193900... | 0.593341 | 1.086366 | [
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-0.078928... | 6 | 6 | 1.085019 | 0.630337 | 1.035036 | 0.571376 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
mtgn_4068300_LiSbF6 | Li1 Sb1 F6 | Li3 Sb3 F18 | R-3 | 148 | -0.000013 | 2026-01-28 19:10:03 | 1,064 | 1.508045 | 1.508443 | 1.507946 | 0.000398 | 0.000497 | 0.000099 | 0.000497 | -37.118533 | 0.000928 | 0.000961 | 0.000928 | -37.686756 | 0.045485 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.519558565360342, -0.0027544642622837, 2.4783928711687744], [1.583859979885217, 4.231662270797513, 2.477727277515313], [-0.0582212006300571, -0.0391679416914192, 5.467353307906087]], "pbc": [true, true, true], "a": 5.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.699697410406276, -0.0025016266190115476, 2.5776878429122605], [1.6481719346711532, 4.397233682307394, 2.5754590788211305], [0.00849246983409702, 0.005097873670939244, 5.560631802124023]], "pbc": [true, true, true], "a... | 0.000939 | 0.000961 | [
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mtgn_648303_Li1Ca1Ir1C1 | Li1 Ca1 Ir1 C1 | Li1 Ca1 Ir1 C1 | P-6m2 | 187 | -0.012242 | 2026-01-28 14:24:14 | 1,064 | 2.693525 | 2.230305 | 2.226781 | 0.46322 | 0.003524 | 0.466744 | 0.466744 | -22.963238 | 0.038425 | 0.493722 | 0.494728 | -23.046717 | 0.000777 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8716227035712176, -0.0046992673519322, 0.0071811338266278], [0.015432114334283, 3.8703095951433193, -2.215240471225342], [-0.0024794412928366, -0.0146366210995521, 4.457915105444953]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.864325583365117, -0.002613561870403978, 0.008109638649589279], [0.0170415787356957, 3.9134501861518443, -2.236677169808734], [-0.0015040712868526806, -0.01270670333253752, 4.504718654272881]], "pbc": [true, true, true... | 0.342292 | 0.494728 | [
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0.09047324143701166,
0.0615... | 6 | 6 | 0.695149 | 0.729835 | 0.700443 | 0.720688 | mattergen | mattergen_base |
mtgn_3331870_Tl1I1O3 | Tl1 I1 O3 | Tl3 I3 O9 | R3m | 160 | -0.000039 | 2026-01-28 17:52:30 | 1,064 | 2.178955 | 2.184822 | 2.171093 | 0.005867 | 0.013729 | 0.007862 | 0.013729 | -21.39225 | 0.0067 | 0.006751 | 0.006633 | -21.528395 | 0.028455 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.678937891461983, -0.0584344655290937, -0.1525694826310184], [0.1397650052462058, 4.678651324391465, -0.1491673234842513], [0.0688198280730833, 0.0612091165557582, 4.680241083591569]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.621268501353532, -0.005898082820553367, -0.2008062005284647], [0.18978446120781914, 4.625396078315903, -0.1976417818458609], [0.018433469767495825, 0.012839323794620326, 4.637024207812357]], "pbc": [true, true, true],... | 0.006695 | 0.006751 | [
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-0.09166... | 7 | 7 | 0.21518 | -0.052174 | 0.212097 | -0.0448 | mattergen | mattergen_base |
cd-251116-3121563f15b6498ca6cab9112432885a | K2 Se2 O5 | K2 Se2 O5 | P1 | 1 | 0.000733 | 2026-01-29 09:07:53 | 1,064 | 1.862958 | 1.96337 | 1.859116 | 0.100412 | 0.104254 | 0.003842 | 0.104254 | -45.197517 | 0.003731 | 0.004864 | 0.003738 | -45.341911 | 0.049477 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.444019595719232, 0.1085790719697378, 0.5311185710738194], [-0.4132311999753309, 6.023770921706376, 1.6405210564791661], [-0.2212436993334145, 0.0063071911612146, 6.231971508661714]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.440752478131631,0.0,0.7195603529783573],[-0.5025115899797613,6.1037026571059085,1.7178516931927512],[0.0,0.0,6.61285775]],"pbc":[true,true,true],"a":4.49867199,"b":6.36071682,"c":6.61285775,"alpha":74.33144700000001,"beta":80... | 0.004111 | 0.004864 | [
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-0.091... | 6 | 6 | 0.081495 | -0.010306 | 0.083417 | -0.016334 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
mtgn_4173139_RbAuSe2O7 | Rb1 Au1 Se2 O7 | Rb1 Au1 Se2 O7 | P1 | 1 | -0.000554 | 2026-01-28 21:57:40 | 1,064 | 2.289597 | 1.930554 | 2.262283 | 0.359043 | 0.331728 | 0.027314 | 0.359043 | -54.367981 | 0.015964 | 0.006345 | 0.014941 | -54.404644 | 0.032364 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.828786565629864, 2.1165473884e-06, -1.903718357550801], [-2.8151995324508063, 5.253983172378283, -0.4620272138639253], [-0.0203795846819612, 0.0379860840357146, 7.711976445876426]], "pbc": [true, true, true], "a": 5.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.817681369240958, -0.012467376842712874, -1.9216850173615474], [-2.7832912200979205, 5.6001395988869245, -0.36451264368328395], [0.03624493787437813, 0.2335725292071415, 7.930536838756812]], "pbc": [true, true, true], ... | 0.012416 | 0.015964 | [
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-0.0967... | 7 | 7 | 0.122053 | 0.032525 | 0.129465 | 0.031985 | mattergen | mattergen_base |
cd-251027-e1f2eb0c5f4f4bf9aaaf925f83daf43f | Mo5 W1 | Mo5 W1 | P-1 | 2 | 0.000071 | 2026-01-29 03:34:45 | 1,064 | 6.190098 | 6.126761 | 6.154991 | 0.063337 | 0.02823 | 0.035107 | 0.063337 | -67.715544 | 1.508546 | 2.68615 | 1.927566 | -67.226089 | 0.000966 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.5505982982690516, -0.0058667578329068, 0.9111955865295716], [-1.2882590664596674, 6.598336726585843, 0.9034068906031927], [0.0037949849000927, -0.0030940186817087, 5.450576471398132]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.59139744812909,0.0,0.916841785272795],[-1.295729758034941,6.728145218335038,0.915484301493158],[0.0,0.0,5.49507387]],"pbc":[true,true,true],"a":2.7488069400000006,"b":6.912667009999999,"c":5.49507387,"alpha":82.38963173,"beta... | 2.040754 | 2.68615 | [
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0.45731215270... | [
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0.4857524578671... | 6 | 6 | 0.8544 | 2.186127 | 0.918427 | 2.311349 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=299-step=5700.ckpt |
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