material_id stringlengths 6 42 | formula stringlengths 2 23 ⌀ | formula_refined stringlengths 2 23 ⌀ | spacegroup stringclasses 137
values | spacegroup_number float64 1 229 ⌀ | energy_above_hull float64 -0.09 0.07 ⌀ | TS_dft stringdate 2025-10-24 14:17:09 2026-02-25 07:42:09 ⌀ | wavelength_nm float64 1.06k 1.06k ⌀ | n_xx float64 0.32 10.4 ⌀ | n_yy float64 0.32 10.5 ⌀ | n_zz float64 0.32 10.5 ⌀ | delta_n_xx_yy float64 0 7.34 ⌀ | delta_n_yy_zz float64 0 6.36 ⌀ | delta_n_xx_zz float64 0 7.33 ⌀ | dn_dft float64 0 7.34 ⌀ | relaxation_energy_dft float64 -238.17 291 ⌀ | k_xx float64 0 13.3 ⌀ | k_yy float64 0 13.3 ⌀ | k_zz float64 0 12.4 ⌀ | relaxation_energy_mattersim float64 -238.43 -0.1 ⌀ | norm_rmsd_dft_mattersim float64 0 0.3 ⌀ | structure_dft stringlengths 2 6.51k | structure_mattersim stringlengths 587 6.81k ⌀ | k_diag_avg_dft float64 0 11.1 ⌀ | max_k_dft float64 0 13.3 ⌀ | embedding listlengths 256 256 ⌀ | embedding_dft listlengths 256 256 ⌀ | cluster_id int64 0 9 ⌀ | cluster_id_dft int64 0 9 ⌀ | mace_dn float64 -0.21 4.76 ⌀ | mace_k_diag_avg float64 -0.19 9.23 ⌀ | mace_dn_dft float64 -0.34 5.04 ⌀ | mace_k_diag_avg_dft float64 -0.19 9.56 ⌀ | source stringclasses 3
values | model stringclasses 168
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cd-251023-1b6fb11fe5d64d478303cbe5235c81ae | K2 Li2 C2 O6 | K2 Li2 C2 O6 | P-1 | 2 | 0.002415 | 2026-02-23 13:42:21 | 1,064 | 1.691509 | 1.69741 | 1.513076 | 0.005902 | 0.184334 | 0.178432 | 0.184334 | -75.929904 | 0.001389 | 0.001443 | 0.000595 | -76.129501 | 0.023332 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.601727957409606, 0.0232771110493139, 1.6843256390656747], [0.0596918375277667, 5.327449842090888, -0.0630364829264201], [0.0744389556734504, -0.0278635111675355, 6.107769555290093]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.617020250243164,0.0,1.6951508062705094],[0.024401430809378837,5.3782331867389,-0.04037924789300386],[0.0,0.0,6.35454621]],"pbc":[true,true,true],"a":4.91837496,"b":5.37844012,"c":6.35454621,"alpha":90.43015859000002,"beta":69... | 0.001142 | 0.001443 | [
-0.03438375128685441,
0.003002779731503311,
-0.04270094803682419,
0.0015424620070082103,
0.041755130537590446,
0.026671566750800218,
-0.06593363547424612,
0.02184825242153572,
-0.003068165372198508,
0.035215093762232176,
-0.00006746901105134558,
-0.07063711838890142,
0.0979218924806703,
-0... | [
-0.035482667271035336,
0.0016596862775433835,
-0.04350910137926439,
0.010279943093935295,
0.03939182615509927,
0.0302467118737976,
-0.06880905140494765,
0.021794424991090577,
-0.00337661269388196,
0.035025717993853595,
0.0022512321801166657,
-0.06504010165363874,
0.09813581376910414,
-0.04... | 8 | 8 | 0.129749 | 0.001217 | 0.124106 | 0.002114 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-6735f578921640058db56a89a4def314 | Be1 B3 O3 F5 | Be1 B3 O3 F5 | P1 | 1 | 0.009139 | 2026-02-23 13:45:02 | 1,064 | 1.463933 | 1.482869 | 1.453513 | 0.018936 | 0.029356 | 0.01042 | 0.029356 | -79.250285 | 0.000512 | 0.000573 | 0.000447 | -79.544182 | 0.071032 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.853699816057941, 0.039270437712726, 0.0804111003217728], [1.7122721855704166, 6.0405501115172004, -2.380231686247169], [-0.0407625671542061, 0.0017964760319085, 4.7577239878705155]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.872830807889936,0.0,0.12397443720756694],[1.6481880891721854,6.161246588022201,-2.430621645571716],[0.0,0.0,4.88173215]],"pbc":[true,true,true],"a":4.87440763,"b":6.82535018,"c":4.88173215,"alpha":110.86190403,"beta":88.54259... | 0.000511 | 0.000573 | [
-0.04471593179210257,
-0.0291274269187751,
0.041411434131605335,
0.12638377798242148,
0.11664650300519948,
0.10576305814090674,
-0.08301142252306835,
0.06965847052943182,
0.11208805951024318,
0.022105072534775158,
0.019652041405328054,
0.03894154507348147,
0.11863570725032924,
-0.149467909... | [
-0.04141915286114332,
-0.03465871782617449,
0.04269736501957943,
0.1401535507332867,
0.11898647191004745,
0.10794902543717771,
-0.08728230819446418,
0.07508032791980503,
0.11422820329921889,
0.019917276828292214,
0.018137795821922206,
0.035328380006020954,
0.11775504931272117,
-0.151700663... | 4 | 4 | 0.021921 | 0.001405 | 0.033845 | 0.001695 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251027-a930a554df2840778cde93906cea01a9 | Rb3 N7 O2 | Rb3 N7 O2 | Pm | 6 | 0.002134 | 2026-02-23 13:09:48 | 1,064 | 1.445856 | 1.839922 | 1.824339 | 0.394066 | 0.015583 | 0.378483 | 0.394066 | -75.676771 | 0.000761 | 0.003805 | 0.003782 | -75.757668 | 0.015404 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.016461122591692, -0.0010032493807759, -0.009330062768328], [-0.0137062864271206, 5.774521592286675, -1.592655011069645], [-0.0106606324534606, -0.1119340671713431, 10.917250096663173]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.151868972871331,0.0,-0.005264090908472823],[-0.014118602190133302,5.7618555283705115,-1.5219677596023338],[0.0,0.0,10.83736396]],"pbc":[true,true,true],"a":4.15187231,"b":5.959493630000001,"c":10.83736396,"alpha":104.79642405... | 0.002782 | 0.003805 | [
-0.007834650880366084,
0.01814100813305076,
-0.11705499319175933,
-0.09977751488704169,
0.09074568228895079,
0.024451528022590836,
0.11996350511408388,
-0.033666180867757356,
-0.008094347139132886,
0.014289608248324594,
0.06606909251451891,
-0.010416006593291359,
-0.11838468005767494,
0.01... | [
-0.009568759898467507,
0.01865562463229745,
-0.11603794253102939,
-0.09879487548479145,
0.09043902704168584,
0.026292742272977496,
0.119398461280921,
-0.03589291013947882,
-0.008952520204234416,
0.013288262795895877,
0.06560493770787026,
-0.008246368732247357,
-0.11920648212570656,
0.02096... | 8 | 8 | 0.421976 | 0.028035 | 0.424301 | 0.023312 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=254-step=4845.ckpt |
cd-251027-1673c0ca06c5466d97782bc250b56606 | Rb7 Sb1 F11 | Rb7 Sb1 F11 | P1 | 1 | 0.004898 | 2026-02-23 16:58:19 | 1,064 | 1.424078 | 1.429957 | 1.373448 | 0.005879 | 0.056509 | 0.05063 | 0.056509 | -78.421701 | 0.031599 | 0.034302 | 0.052532 | -80.00563 | 0.022938 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.027317737663603, -0.0172847507252381, 0.7100783545773232], [2.1220828391227124, 7.927529225523534, 0.12747854642637], [-0.0573796501073082, -0.2303077716471142, 13.693204078651016]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.082567694343028,0.0,0.7425979414896636],[2.1613606648877663,7.972008761670562,0.2740762630085247],[0.0,0.0,13.99695507]],"pbc":[true,true,true],"a":4.14955548,"b":8.26435245,"c":13.99695507,"alpha":88.09951316,"beta":79.69090... | 0.039478 | 0.052532 | [
0.013712042576567364,
-0.04917492206470974,
0.049167686918419155,
-0.08406176448726001,
0.09334479111091994,
-0.014036429777651946,
-0.05642621248535996,
-0.010283747711473182,
-0.04364360166311485,
-0.0478470222633806,
-0.033693217819811695,
-0.051170003378598276,
0.03770383426191924,
-0.... | [
0.01149155550662976,
-0.046933458721001825,
0.05178459271039948,
-0.082354662439499,
0.09799592321509705,
-0.009134198011292111,
-0.055121171510002565,
-0.01346963344800084,
-0.04529822297014953,
-0.04883901482976946,
-0.03130792442676748,
-0.05023776263889607,
0.042945568835936226,
-0.157... | 8 | 8 | 0.11216 | -0.008676 | 0.061975 | -0.012887 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=429-step=8170.ckpt |
cd-251023-ba97037371ec4f37987a2530b08d03ad | Na3 N2 O6 F1 | Na3 N2 O6 F1 | P1 | 1 | 0.00539 | 2026-02-23 13:58:25 | 1,064 | 1.706549 | 1.718113 | 1.382787 | 0.011564 | 0.335325 | 0.323762 | 0.335325 | -66.465254 | 0.003076 | 0.003318 | 0.000759 | -66.429138 | 0.046719 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.925242483554933, 0.0277809904270154, 0.0311147684044177], [-0.1915685179548368, 5.395619933633595, -1.6041336006216544], [0.0454705570299908, 0.0747966814375322, 6.004845476139661]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.053906970919594,0.0,-0.006622585314852715],[-0.21418218798294028,5.479932262105749,-1.7752680186742402],[0.0,0.0,6.39195438]],"pbc":[true,true,true],"a":5.05391131,"b":5.76429598,"c":6.39195438,"alpha":107.93733054,"beta":90.... | 0.002384 | 0.003318 | [
-0.004699269798556432,
-0.06535023500167735,
-0.10004628447021485,
-0.07374430422444066,
-0.07914552301855461,
0.04412435865322861,
-0.02979460197823609,
0.11579272903694256,
0.03430436962192649,
0.06670043908406313,
-0.0011012152538476348,
-0.11137627743662383,
-0.04293892792136211,
-0.09... | [
-0.007499947205670776,
-0.06763250021327502,
-0.09913166266017596,
-0.05709716242021301,
-0.08591092927998384,
0.03909491521903435,
-0.03932703882100167,
0.10921501627812359,
0.03823686410574633,
0.0724459974016348,
-0.003721350412222904,
-0.1070222421160431,
-0.03913563928341409,
-0.09940... | 7 | 7 | 0.250256 | 0.141057 | 0.242844 | 0.180529 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-6768fa3649874bc9962cb387f02c567b | Rb1 Na2 N3 O6 | Rb2 Na4 N6 O12 | Cm | 8 | 0.002954 | 2026-02-23 09:17:00 | 1,064 | 1.919566 | 1.422639 | 1.53392 | 0.496927 | 0.11128 | 0.385647 | 0.496927 | -68.794522 | 0.005887 | 0.001546 | 0.003064 | -68.918289 | 0.031917 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.507413917813417, -0.0001174115577548, -0.0560122257983657], [-2.7632820276737857, 5.467038967975314, -2.247371908520623], [0.0001604934518019, 0.3431470074996418, 6.310225808724306]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.5335103516649555,0.0,-0.05671494460686523],[-2.779241856583721,5.88389437595105,-2.5832260353046346],[0.0,0.0,6.37371741]],"pbc":[true,true,true],"a":5.5338009900000005,"b":7.0012466799999995,"c":6.37371741,"alpha":111.651897... | 0.003499 | 0.005887 | [
-0.020230812135750478,
-0.0252488030228936,
-0.10831730527757201,
-0.14569825802165923,
-0.051462542842118986,
0.07068827426370732,
0.024977937968664644,
0.09538310344149036,
0.011342616703311709,
0.026548343963608435,
0.013338689137841685,
-0.11332454582815354,
-0.08533113818986555,
-0.05... | [
-0.022921611566653333,
-0.024903480322228725,
-0.10999473099359929,
-0.13726562410440948,
-0.05523002747631631,
0.07054051014452538,
0.022403655681683662,
0.08976852855826417,
0.011995954329940618,
0.03161482101006519,
0.012296085680052518,
-0.10412221959440422,
-0.08802574970630166,
-0.05... | 7 | 7 | 0.300516 | 0.043558 | 0.290465 | 0.047002 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-edaa908c5f0f44ef9a7e7b4925d94c66 | K5 S1 O3 F3 | K5 S1 O3 F3 | P1 | 1 | 0.003788 | 2026-02-23 17:31:39 | 1,064 | 1.546707 | 1.55541 | 1.541007 | 0.008704 | 0.014404 | 0.0057 | 0.014404 | -56.034809 | 0.001067 | 0.001125 | 0.001103 | -56.62722 | 0.039921 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.298788436777847, 0.0659232327075161, 0.0363369926215956], [0.0844965801208104, 5.026850792896727, -1.606273956347931], [-0.1705828337960957, 0.1085109263180543, 8.57914478009163]], "pbc": [true, true, true], "a": 5.29... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.3698801354880965,0.0,0.14441505143591205],[-0.009139942576262713,5.055864610730713,-1.7129810901351905],[0.0,0.0,8.80578005]],"pbc":[true,true,true],"a":5.3718217,"b":5.33817897,"c":8.80578005,"alpha":108.71690236,"beta":88.4... | 0.001098 | 0.001125 | [
-0.05284580968014457,
-0.018281472857588566,
0.05143684468798404,
-0.06313926954634995,
0.06380739323512617,
0.0192684945826665,
-0.05204695002920615,
0.016989308233111736,
-0.03873779375670632,
0.004867716828371087,
0.004879846203065849,
-0.06979209518742936,
0.017046841825001293,
-0.1030... | [
-0.056175845579289875,
-0.01754942940206447,
0.0521225877160342,
-0.060620534774170516,
0.06503971395206974,
0.022911155734761813,
-0.055386278333491745,
0.013338352880246566,
-0.03855885245856333,
0.004372999381796169,
0.0057057587522788555,
-0.06727446063328825,
0.018198932971995322,
-0.... | 8 | 8 | 0.198546 | 0.090652 | 0.132898 | 0.062888 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-df75714dbcdd4044874a652bcfe54b0c | B4 O5 F3 | B4 O5 F3 | P1 | 1 | 0.009161 | 2026-02-23 11:27:08 | 1,064 | 2.171287 | 1.456349 | 1.258483 | 0.714938 | 0.197867 | 0.912804 | 0.912804 | -84.661672 | 1.040811 | 0.039414 | 0.395953 | -84.78299 | 0.05824 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.036830842880569, -0.0195299190394054, -1.797950542827759], [-0.8490504856949266, 4.688317693005544, -2.0031980853024565], [0.1263161790790873, -0.0260668974096802, 6.704399920146182]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.119223001692921,0.0,-1.8878026983243654],[-0.7903219955213059,4.984282468630297,-1.961106241094362],[0.0,0.0,6.68603813]],"pbc":[true,true,true],"a":5.45621143,"b":5.414205230000001,"c":6.68603813,"alpha":111.23628801,"beta":... | 0.492059 | 1.040811 | [
-0.054165990979362005,
-0.05638185810705743,
0.03627995782226651,
0.11032086360470195,
0.07314175415441257,
0.06334159657304893,
-0.0719913563115203,
0.0993597815545502,
0.1007146800294198,
0.048222127679741635,
0.0002529923447607922,
0.06200122427291196,
0.092523084974611,
-0.157202380272... | [
-0.049643003055369554,
-0.06803393594001907,
0.038730884068418375,
0.12456327003671691,
0.07028502295408122,
0.06642825057776613,
-0.07569275355462825,
0.10639038994634283,
0.10445560996554197,
0.05142095170484301,
-0.002877025106247852,
0.057073677094301556,
0.0899153107461614,
-0.1619621... | 4 | 4 | 0.838821 | 0.556178 | 0.841584 | 0.548746 | crystal-diffusers | test_08-25_11-04/epoch=04-step=0080.ckpt |
cd-251023-e950040f1c4347d99535850965a01bdb | K5 Rb1 O1 F5 | K5 Rb1 O1 F5 | Pmmm | 47 | 0.007406 | 2026-02-23 19:45:18 | 1,064 | 1.461374 | 1.454069 | 1.479629 | 0.007305 | 0.02556 | 0.018256 | 0.02556 | -48.355712 | 0.003558 | 0.004058 | 0.00169 | -49.02552 | 0.00496 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.830651185216977, 0.000730019636508, -0.0001961927945643], [0.0002367325196162, 5.442454088307979, 0.0005487758791785], [0.0009871258769051, -0.003759204233015, 11.788410042891442]], "pbc": [true, true, true], "a": 3.8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8712509349403477,0.0,-0.0005210080883060731],[-0.0008079635415968593,5.519036439193193,0.00230578840166212],[0.0,0.0,11.75052289]],"pbc":[true,true,true],"a":3.8712509700000006,"b":5.51903698,"c":11.75052289,"alpha":89.976062... | 0.003102 | 0.004058 | [
-0.05351345905587986,
-0.0635501176794642,
0.06499349901046812,
-0.019929554395986326,
0.046689818400680504,
-0.06547536636521156,
-0.02484170881430971,
0.00044304967793872924,
-0.029823048684209024,
0.0010540438962397837,
-0.012688635899738092,
-0.058245998251818025,
0.02757473152734269,
... | [
-0.055500652461809186,
-0.061975511181330066,
0.06697239685309156,
-0.01928399680414912,
0.046461931805221145,
-0.06400706145243489,
-0.02436184974413924,
-0.0015474416187358925,
-0.030334990960654364,
0.00023524637962232692,
-0.01195762219615263,
-0.05524695195197248,
0.028614857173692873,
... | 8 | 8 | 0.034751 | 0.006506 | 0.024047 | 0.009056 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-0eb85691071b46bead507460042833c5 | Hf5 N5 O2 | Hf10 N10 O4 | Cm | 8 | 0.007755 | 2026-02-23 14:23:33 | 1,064 | 2.842034 | 3.707545 | 2.922435 | 0.865511 | 0.78511 | 0.080401 | 0.865511 | -126.568879 | 0.08976 | 2.485958 | 0.468856 | -126.307686 | 0.009884 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.177661486626988, -2.8026338179e-06, 0.0013711087691449], [-1.5877598289452994, 5.04875608117029, -1.8316138699504543], [-0.0011774239502381, -0.0341768983075002, 8.772392728946432]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.199619343698703,0.0,0.0018176730998003383],[-1.598981914163352,5.064764472719699,-1.8297322447450362],[0.0,0.0,8.85703509]],"pbc":[true,true,true],"a":3.19961986,"b":5.617517460000001,"c":8.85703509,"alpha":109.00914188,"beta... | 1.014858 | 2.485958 | [
0.042632333440449165,
0.04232040662817296,
-0.04020732187283569,
-0.08117399792092801,
0.3009676771371699,
-0.07575401684419032,
-0.1680120114100098,
-0.07699276290088697,
-0.02330113697068274,
-0.027125881076225298,
-0.03901157702081409,
0.0158541182120941,
0.2446254492070673,
0.068080078... | [
0.03699718134362121,
0.05392865412766423,
-0.037618763353284984,
-0.08335264995657672,
0.31389361005669003,
-0.07149402531775884,
-0.16843279509419928,
-0.08506669468375594,
-0.027382842061403165,
-0.02684039316719054,
-0.04069657707503962,
0.02270696494982015,
0.24832168405650043,
0.07189... | 2 | 0 | 0.300129 | 1.515826 | 0.306103 | 1.614283 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-f345de8ab1614f2fbe85810619d30bfe | Rb1 Na5 O6 | Rb2 Na10 O12 | Amm2 | 38 | 0.003926 | 2026-02-23 19:59:17 | 1,064 | 1.81662 | 1.589877 | 1.591134 | 0.226743 | 0.001258 | 0.225486 | 0.226743 | -49.658945 | 0.002725 | 0.002705 | 0.002734 | -49.504829 | 0.009457 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.602873016019241, 0.0021149258306229, 0.000308198147016], [-0.0054606491814883, 5.47100798391977, -3.368070132269937], [-0.0016140316987591, -0.0271517881293156, 6.424172551270542]], "pbc": [true, true, true], "a": 4.6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.753894098969693,0.0,0.0014820888228327877],[-0.009095511746865273,5.56669067240399,-3.397897270425145],[0.0,0.0,6.52590984]],"pbc":[true,true,true],"a":4.75389433,"b":6.52179681,"c":6.52590984,"alpha":121.39977681,"beta":89.9... | 0.002721 | 0.002734 | [
-0.11892050356470256,
-0.1123028464962434,
0.05523725788758746,
-0.09620800342051981,
-0.0018837438518246828,
0.1121608014483121,
0.04427654470423841,
0.08180682561310054,
-0.012854355443317478,
0.04815596594603658,
-0.04327825624859959,
-0.19522708640890452,
-0.041317082895488993,
-0.1162... | [
-0.12605170321801834,
-0.10854822039553207,
0.05538067377637912,
-0.09283565044197023,
0.0021521940751011554,
0.1141468513774161,
0.04284597799701861,
0.07240731077254581,
-0.01544547128736854,
0.05366718717584392,
-0.040421886776536596,
-0.17896809037733985,
-0.04348771667041157,
-0.11304... | 7 | 7 | 0.127508 | -0.001042 | 0.153776 | -0.000023 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-3229649ac2494ce18d388a844ceeff21 | Li1 B7 O11 | Li1 B7 O11 | P1 | 1 | 0.003023 | 2026-02-23 09:04:49 | 1,064 | 1.611552 | 1.59132 | 1.539351 | 0.020232 | 0.05197 | 0.072202 | 0.072202 | -147.939409 | 0.000993 | 0.000943 | 0.000747 | -147.689835 | 0.03672 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.314038838130732, 0.0023045187720381, -0.9624759687930525], [0.6516197955699771, 5.5266638786447375, 0.273522755740607], [-0.2230404079832856, 0.0550347482523608, 9.275120716699528]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3555497479761325,0.0,-0.8917935405098937],[0.657300608502951,5.5680766288839765,0.26543449436855476],[0.0,0.0,9.6103908]],"pbc":[true,true,true],"a":4.44590928,"b":5.61301852,"c":9.6103908,"alpha":87.28952431,"beta":101.57131... | 0.000894 | 0.000993 | [
-0.03729462123914171,
-0.05065197853607234,
0.015999686167192915,
0.09377730023763342,
0.10040328922411283,
0.0675035363188739,
-0.0876849435233447,
0.07345417524051207,
0.06716883798717718,
0.04083434111999268,
0.012963374809468853,
0.02540293198266412,
0.13258278237150445,
-0.13563453022... | [
-0.032410501319682726,
-0.05539221864977306,
0.018580043459718438,
0.10626514439138768,
0.10108279478818281,
0.0678562458732591,
-0.09147771899268863,
0.07680773678923188,
0.06662036231274204,
0.03865483839471196,
0.012909174148009473,
0.02453090567917073,
0.13231528417513483,
-0.140405896... | 4 | 4 | 0.104966 | 0.003023 | 0.093392 | 0.003306 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-7f2ca400363f48528eb3d88125175ad9 | K6 P2 O6 F5 | K12 P4 O12 F10 | C2 | 5 | 0.00317 | 2026-02-23 11:05:22 | 1,064 | 1.470289 | 1.483542 | 1.086574 | 0.013254 | 0.396968 | 0.383714 | 0.396968 | -101.14616 | 0.056996 | 0.056554 | 0.1981 | -101.926949 | 0.022409 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.168750705058074, 0.0065646318210276, -0.9116926163755099], [0.0195001416011168, 5.078374852327005, 1.2552906764796652], [-0.0828579473656069, 0.0159957731152153, 12.821919751749]], "pbc": [true, true, true], "a": 5.24... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.195682211026415,0.0,-0.9037190870222085],[0.020239287669681857,5.099126486125773,1.2845350011788956],[0.0,0.0,13.18225389]],"pbc":[true,true,true],"a":5.27369148,"b":5.258472280000001,"c":13.18225389,"alpha":75.8607638,"beta"... | 0.103883 | 0.1981 | [
-0.04953507924619983,
-0.028005494859343134,
0.025285019058463153,
-0.02542099414599248,
0.04841816992327173,
0.01533633091344245,
-0.05379162054815421,
0.023378850905599654,
-0.001384347498820282,
0.015078782763403383,
0.022321528367607313,
-0.02580527720761739,
0.030763615029891785,
-0.1... | [
-0.052968559285516366,
-0.026738420424144437,
0.02466398269184571,
-0.0194411067800834,
0.04948444745411853,
0.018086800902425062,
-0.055324507360193446,
0.021072027565847917,
-0.0011041849481130607,
0.013737663127008,
0.023580218684451617,
-0.023758889241054057,
0.03286763281601621,
-0.13... | 8 | 8 | 0.246158 | 0.044356 | 0.255466 | 0.053235 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251030-cc3be1f504ab49b9acf3021cfae5d589 | K3 N2 O6 F1 | K3 N2 O6 F1 | P-1 | 2 | 0.003673 | 2026-02-23 18:13:08 | 1,064 | 1.625271 | 1.600751 | 1.419507 | 0.02452 | 0.181244 | 0.205764 | 0.205764 | -66.387342 | 0.00243 | 0.002186 | 0.000845 | -66.620926 | 0.038717 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.993668729555603, 0.0519270313559232, -0.7120141970333992], [-0.415654626281488, 5.19257820647655, -0.4900653635238018], [-0.075114925862279, 0.0927695776315256, 8.59897494977234]], "pbc": [true, true, true], "a": 5.04... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.015489150071439,0.0,-0.6934330960297556],[-0.48349744617274515,5.196023826442221,-0.5686668488120896],[0.0,0.0,8.94266515]],"pbc":[true,true,true],"a":5.06319868,"b":5.24936333,"c":8.94266515,"alpha":96.21909277,"beta":97.871... | 0.001821 | 0.00243 | [
0.0326745386410444,
-0.07849141847165854,
-0.1198465741510651,
-0.12305086314542744,
-0.051773431729493564,
0.0539641681144441,
-0.040402034895464616,
0.08778644787693836,
0.03803628982176426,
0.07517752060228251,
0.010262614891125997,
-0.15554754462906384,
-0.051949321232318234,
-0.072700... | [
0.029559918668024515,
-0.07799358700851783,
-0.11870214524495791,
-0.11819601195490907,
-0.05527517133287733,
0.055048743218636925,
-0.04248074481778033,
0.08595834054303973,
0.03843545524284749,
0.07597740575715255,
0.008833823743611507,
-0.1516105095385391,
-0.05359870478769104,
-0.07214... | 7 | 7 | 0.217922 | 0.036505 | 0.213473 | 0.033803 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-a5228135a7004fd29427d2790ae6180f | Na2 Li2 C2 O6 | Na2 Li2 C2 O6 | Pmmn | 59 | 0.000912 | 2026-02-23 15:38:43 | 1,064 | 1.46219 | 1.681429 | 1.677558 | 0.219238 | 0.00387 | 0.215368 | 0.219238 | -76.553216 | 0.000513 | 0.001457 | 0.001401 | -76.42598 | 0.011656 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.462841594375386, 0.0026479874088098, -0.0016287918950815], [-0.0112775895669965, 5.053943232353561, -0.0202910008289921], [0.0017435356418518, 0.0245250753432186, 7.218310729389908]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5283394239882093,0.0,-0.0025145314180325235],[-0.015436909600345933,5.071417289735607,-0.038195981637877414],[0.0,0.0,7.42315462]],"pbc":[true,true,true],"a":3.52834032,"b":5.071584619999999,"c":7.42315462,"alpha":90.43151981... | 0.001124 | 0.001457 | [
-0.0544984834751174,
0.010285916427639014,
-0.023426060851595404,
0.02600443437474843,
0.03341785890905435,
0.016061189437029198,
-0.05091727239779834,
0.039396224508233664,
-0.015314724157136273,
0.024238234131000357,
-0.009029298439138697,
-0.04663647588085903,
0.11528579004321533,
-0.05... | [
-0.05522776714265653,
0.009903663515452124,
-0.0248244843454602,
0.034152507974654016,
0.03441045891130435,
0.01620336041192443,
-0.05224844298041176,
0.038539761437243414,
-0.013669122883761728,
0.025564797104446632,
-0.0063974227055355526,
-0.038361417043700476,
0.11785806830047763,
-0.0... | 5 | 5 | 0.19971 | 0.001646 | 0.205186 | 0.00243 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-cc2fafbc4655478fa422f8025ff0b627 | Na5 P1 O4 F2 | Na5 P1 O4 F2 | P31m | 157 | 0.00264 | 2026-02-23 13:20:24 | 1,064 | 1.459932 | 1.465265 | 1.465367 | 0.005333 | 0.000102 | 0.005435 | 0.005435 | -63.831914 | 0.000822 | 0.000853 | 0.000853 | -63.551685 | 0.007773 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.385470603438345, 0.0009340944802393, 0.008947974571369], [-0.0026354078340259, 5.203853724420421, -3.0075996149371087], [0.0017410842955658, -0.0002861811388644, 6.007376802611966]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.483590130700263,0.0,0.007558528718732743],[-0.002717444394255127,5.318261474274806,-3.074864410714114],[0.0,0.0,6.14223897]],"pbc":[true,true,true],"a":5.48359534,"b":6.14318351,"c":6.14223897,"alpha":120.03525137,"beta":89.9... | 0.000843 | 0.000853 | [
-0.09767961922596125,
-0.001475729258789523,
0.06778104524161775,
-0.026628774095881214,
0.06075520490739907,
-0.006637267572080763,
-0.01825824146713045,
0.03994466981260414,
-0.016807399814895593,
-0.0007023478389475644,
0.0031127338265336028,
-0.012834236067068005,
0.0815640442052359,
-... | [
-0.10476557887749212,
0.0027884291105940637,
0.06577408531632624,
-0.021381900438557252,
0.06916810971492553,
-0.005262050712934043,
-0.020378918471765223,
0.034063281380343424,
-0.015606486474545808,
0.0012031140818632834,
0.0050115081013140115,
-0.005743232836883522,
0.08718695673609413,
... | 8 | 8 | 0.066673 | 0.010029 | 0.042822 | 0.004533 | crystal-diffusers | test_08-25_11-04/epoch=144-step=2320.ckpt |
cd-251112-a5f4eff483924cf29e314d90b1502d3e | K3 Au2 N3 O11 | K3 Au2 N3 O11 | P1 | 1 | 0.00708 | 2026-02-23 20:15:06 | 1,064 | 1.288064 | 2.038636 | 1.932091 | 0.750573 | 0.106545 | 0.644027 | 0.750573 | -102.213099 | 1.250443 | 0.027151 | 0.016588 | -102.105728 | 0.051344 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9003223929581985, 0.0962407984458727, 0.1476084856330198], [0.3662013564687349, 7.572184165712848, -5.231299947600391], [0.0476948372600233, 0.1360637402067356, 11.322793270894875]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.9647578876135605,0.0,0.13406682095007863],[0.20234274382840878,7.85647816108192,-5.430724415395705],[0.0,0.0,11.54425748]],"pbc":[true,true,true],"a":3.96702395,"b":9.55290319,"c":11.54425748,"alpha":124.64495560999998,"beta"... | 0.431394 | 1.250443 | [
0.047306058619297146,
-0.0980797671861065,
-0.10094115931258207,
-0.11738097745491996,
-0.0949079835722067,
0.0484161633549407,
-0.04019825958778675,
0.07492345188920828,
0.044771151971716903,
0.08851412101077515,
0.01700555223036214,
-0.16825606523658987,
-0.0817130845548897,
-0.049288046... | [
0.04668440368469593,
-0.09877827103100612,
-0.10198808341503651,
-0.11100053122874742,
-0.09783553315925259,
0.05006364821308249,
-0.044579439473264905,
0.0714954483261625,
0.04448396976198079,
0.09146263343479376,
0.014786653845626257,
-0.16860211994855231,
-0.08193775093329976,
-0.049830... | 7 | 7 | 0.290694 | -0.01167 | 0.284909 | -0.020403 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-92c42058d6034d388a2c36393d1ca575 | Li2 P2 O4 F4 | Li2 P2 O4 F4 | P1 | 1 | 0.00189 | 2026-02-23 19:29:09 | 1,064 | 1.421971 | 1.441839 | 1.400072 | 0.019869 | 0.041768 | 0.021899 | 0.041768 | -71.121904 | 0.000598 | 0.000659 | 0.0005 | -71.443756 | 0.027586 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1726367902666786, 0.0491860808340456, -0.0929635307580342], [0.5968521240910792, 7.278207179470824, 0.0364378987096617], [-0.0423697634052394, 0.0076855769450907, 5.13941979730432]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.249077261230679,0.0,-0.05145158217751805],[0.5334195969441589,7.591791230786483,0.030194041568254816],[0.0,0.0,5.23883777]],"pbc":[true,true,true],"a":5.24932942,"b":7.610567799999999,"c":5.23883777,"alpha":89.77268507000001,... | 0.000586 | 0.000659 | [
-0.060368089528989255,
0.013495135437181173,
0.018156110410574324,
-0.043094404838513435,
0.05709640637833182,
0.07400935907386812,
-0.04136066450930833,
0.04427887275916511,
-0.0033654390324519483,
-0.019459578933914718,
0.028607075500782165,
0.05941461725997652,
0.07288092629691763,
-0.1... | [
-0.06178102424148215,
0.010765759920483892,
0.014379172216644068,
-0.026452711674399665,
0.058913280879340967,
0.07590052557714676,
-0.0473577473754481,
0.04819438417155738,
0.0016529217363725243,
-0.018692181448452586,
0.03078026896318103,
0.058388700615162464,
0.07193198122543422,
-0.150... | 8 | 8 | 0.058002 | 0.002918 | 0.055501 | 0.007094 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251027-9dc0601bd731459ebab46dd042466b61 | Rb4 N4 O11 | Rb4 N4 O11 | P1 | 1 | 0.000364 | 2026-02-23 17:26:49 | 1,064 | 1.651971 | 1.61329 | 1.537174 | 0.03868 | 0.076116 | 0.114797 | 0.114797 | -110.264269 | 0.002573 | 0.002293 | 0.001789 | -110.443153 | 0.046201 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.643524820443296, -0.1045317382070519, -1.152460583303272], [2.03852122742332, 8.483033271366644, -2.6845552700064097], [0.1993817840400225, 0.1931492732902633, 9.207597396754322]], "pbc": [true, true, true], "a": 4.78... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.643774987773875,0.0,-1.3076112842545151],[2.2338286923772865,8.62467919902915,-3.0410748057480217],[0.0,0.0,9.65081852]],"pbc":[true,true,true],"a":4.82436456,"b":9.413990539999999,"c":9.65081852,"alpha":108.84673808000001,"b... | 0.002218 | 0.002573 | [
0.07488113075296356,
-0.07512681579720895,
-0.15999944002786998,
-0.171692903360452,
-0.05393129597544142,
0.07454166362850718,
-0.04515737187822697,
0.08017567319819792,
0.033864092030485266,
0.05583421343544628,
0.013500163990070735,
-0.18311954926965443,
-0.07255536943060843,
-0.0600614... | [
0.07292938328587269,
-0.0750233100191138,
-0.16109692636321957,
-0.16640446623843425,
-0.055256863911664726,
0.07690394287148139,
-0.0485557004153004,
0.07784659903359584,
0.033753678522214836,
0.056669870092622594,
0.012251171263108767,
-0.1799574956946071,
-0.07622155320707273,
-0.059817... | 7 | 7 | 0.230907 | -0.020882 | 0.225089 | -0.021592 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=239-step=4560.ckpt |
cd-251023-c569a460736c4e45ae87cbab898cbb5e | Cs1 Rb3 C2 O6 | Cs1 Rb3 C2 O6 | P1 | 1 | 0.003066 | 2026-02-23 19:32:14 | 1,064 | 1.558942 | 1.625485 | 1.57226 | 0.066543 | 0.053225 | 0.013318 | 0.066543 | -72.299225 | 0.00109 | 0.001476 | 0.001177 | -72.343018 | 0.016966 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.149027572701869, 0.0287404417255677, -0.1462727520692291], [-2.0299791169623598, 5.514843286699159, 0.1137103219749916], [0.050143464191424, -0.0401856890522661, 9.33155398633377]], "pbc": [true, true, true], "a": 5.1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.180836249240016,0.0,-0.1741936024297664],[-2.073336171822872,5.609400810980474,0.14898587336083868],[0.0,0.0,9.33260717]],"pbc":[true,true,true],"a":5.18376385,"b":5.982164920000001,"c":9.33260717,"alpha":88.57290052,"beta":9... | 0.001248 | 0.001476 | [
0.03459224641590967,
-0.030737930105114285,
-0.043317667408006216,
-0.08595008295371519,
0.02692707196232187,
0.046514286449325336,
-0.1137229853634607,
-0.006434678981743397,
-0.018326397033002807,
0.02687423177836783,
0.007863373443744723,
-0.15375463908042522,
0.04235903319899067,
-0.06... | [
0.03409170228359157,
-0.030377813201312085,
-0.04209698831002621,
-0.08591119516581415,
0.027645405598324308,
0.04984648301596137,
-0.1147077547748409,
-0.00798881676580634,
-0.018897860037811024,
0.02597206175900847,
0.00786708453797922,
-0.15320075406071595,
0.04265768193392944,
-0.06680... | 8 | 8 | 0.058217 | 0.015088 | 0.056532 | 0.013931 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-bc3f853cb2504095837b0777a664cf5e | Na3 I4 O12 | Na3 I4 O12 | P1 | 1 | 0.005337 | 2026-02-23 10:06:41 | 1,064 | 1.620646 | 1.499149 | 2.003641 | 0.121496 | 0.504492 | 0.382995 | 0.504492 | -81.963267 | 0.639838 | 0.462329 | 0.270882 | -82.211159 | 0.076706 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.35006378942656, 0.0552699242064424, -0.3127308114584041], [-0.1171784971285424, 7.623227102710104, -0.6247477307754775], [-0.1241458320833802, -0.311361023447233, 9.496976151725239]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.804377583232317,0.0,-0.26428706489191683],[-0.21562058755764865,7.527310235719469,-0.4056527858891717],[0.0,0.0,9.8594561]],"pbc":[true,true,true],"a":4.81164126,"b":7.54131592,"c":9.8594561,"alpha":93.08346922,"beta":93.1486... | 0.457683 | 0.639838 | [
-0.04118857471904571,
-0.07771732757953832,
0.10692405423275006,
-0.08289916188422872,
-0.12172640268747884,
0.06728721325154514,
-0.0596972209928003,
0.0870416107314454,
-0.05044296444220948,
0.035052897957958434,
-0.05246081612381745,
-0.19318273324751387,
-0.04904831678729069,
-0.108614... | [
-0.033055551992148074,
-0.09560900948486846,
0.11203170375360462,
-0.06092800209253999,
-0.12029031780485581,
0.06741709860271242,
-0.07124203303739862,
0.08515958307271562,
-0.043162078284508854,
0.03738614653009509,
-0.04912975642325704,
-0.20085411243766096,
-0.049324276022021524,
-0.11... | 7 | 7 | 0.204665 | 0.198121 | 0.217385 | 0.096541 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-d2fd723cf4ce41adbe21c57b5cc7cf15 | As4 O6 F2 | As4 O6 F2 | P1 | 1 | 0.003515 | 2026-02-23 16:38:38 | 1,064 | 1.919718 | 1.820937 | 1.905312 | 0.098781 | 0.084376 | 0.014405 | 0.098781 | -68.135014 | 0.003933 | 0.00324 | 0.003858 | -68.229958 | 0.047847 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.5674246441549835, -0.0947136598888565, 0.0052412429156721], [0.2352902702501687, 5.633128125911158, 0.0418940315642818], [0.149562879409016, 0.2083975454402308, 8.319730847706571]], "pbc": [true, true, true], "a": 4.5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.679642602429887,0.0,-0.07967843677691261],[0.3644348049044361,6.023298515799536,-0.1166783080877814],[0.0,0.0,8.46916952]],"pbc":[true,true,true],"a":4.68032088,"b":6.035441289999999,"c":8.46916952,"alpha":91.107722,"beta":90... | 0.003677 | 0.003933 | [
-0.04922484600935906,
0.0794186482636061,
0.042496782443787295,
-0.14538907393278158,
0.12872198068427027,
0.15025048174061337,
-0.0587170027596584,
0.056527479198735825,
-0.04731083501557429,
0.005690596595771896,
0.028131449436822636,
-0.014914189708563763,
0.0015892355790620035,
-0.0981... | [
-0.04583325782788054,
0.07482692374855333,
0.03334438186112804,
-0.12400537370259611,
0.13324838482684703,
0.15526827224400294,
-0.0695327938435704,
0.05546118565820209,
-0.04236343601330538,
0.009767195352560825,
0.029462983278310262,
-0.02855435489023256,
0.004127383420868397,
-0.0963766... | 8 | 8 | 0.125781 | -0.008305 | 0.125912 | -0.000099 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251116-2a14f2d1cfd94569a60da8d550f74e23 | Rb4 N2 O6 | Rb8 N4 O12 | Cm | 8 | 0.002211 | 2026-02-23 09:24:34 | 1,064 | 1.490727 | 0.997641 | 0.998115 | 0.493085 | 0.000473 | 0.492612 | 0.493085 | -61.289558 | 0.066075 | 0.584028 | 0.584151 | -61.554535 | 0.017259 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8379982470633442, 0.0344698092109884, -0.0413490124047512], [-0.1161612098408602, 8.063893625445957, -0.0042533818338763], [0.0462830211766433, 0.146089674377077, 8.06429236980349]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.834673389057667,0.0,-0.06422575697042429],[-0.1928125711299367,8.32391730950735,-0.15451391687239585],[0.0,0.0,8.26313331]],"pbc":[true,true,true],"a":3.8352111999999994,"b":8.327583720000002,"c":8.26313331,"alpha":91.0631539... | 0.411418 | 0.584151 | [
0.02080966226818157,
-0.0696928240839768,
-0.08460677588341715,
-0.17481701571551167,
-0.013289362191421175,
0.09159191634856005,
-0.005583815610546491,
0.0339076734869579,
-0.004388932491458497,
0.026961827706349913,
0.006799474927063569,
-0.19117625578140315,
-0.08392339198775774,
-0.066... | [
0.01836184800206148,
-0.06779340621091157,
-0.08310357899263894,
-0.17261190108299151,
-0.015462609192148313,
0.09619888925638054,
-0.00856281542251018,
0.02827995758924266,
-0.007094696161065737,
0.02736461426925337,
0.006654623541131114,
-0.1867101089024373,
-0.08509330873535059,
-0.0630... | 7 | 7 | 0.186363 | 0.068077 | 0.169272 | 0.069978 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-22797e9285034708a4c5f3299ce04e89 | Au2 I4 O13 | Au2 I4 O13 | P1 | 1 | 0.005564 | 2026-02-23 12:27:45 | 1,064 | 3.114483 | 3.082825 | 3.813961 | 0.031658 | 0.731136 | 0.699478 | 0.731136 | -78.797293 | 0.334823 | 0.217284 | 0.47979 | -78.765549 | 0.090402 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.732155705783843, 0.0065941791832435, -0.2465805950175532], [-1.0026128410706199, 6.806192198947195, -3.1202120601677694], [0.181720481501073, -0.1233489851085181, 9.277636455379199]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.154347898275204,0.0,-0.3492939824230133],[-1.0270578454104697,6.7869651289918815,-2.9972750691545493],[0.0,0.0,9.23828428]],"pbc":[true,true,true],"a":5.16616962,"b":7.49008687,"c":9.23828428,"alpha":113.58853103,"beta":93.87... | 0.343966 | 0.47979 | [
0.038281684758822945,
-0.13607060581774771,
0.12226742506524957,
-0.022526255422688057,
-0.17672900515339032,
0.07065973093081682,
-0.07761848009914861,
0.06416765327708196,
-0.00915806410692537,
0.04510455033914454,
-0.07782749490743893,
-0.25453075392944796,
-0.08964710685371677,
-0.0973... | [
0.055392328192868885,
-0.15490626484352238,
0.13119543108421766,
-0.006890631796630758,
-0.18526569409867402,
0.08968051902424343,
-0.08482639387806781,
0.05829199500099982,
-0.010464977796726395,
0.0417121942581148,
-0.07947814394604891,
-0.26876338718368187,
-0.08313021400443243,
-0.1073... | 7 | 7 | 0.322058 | 0.164342 | 0.354338 | 0.051557 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-fc3529ee4ec847268f817db2dc039806 | Cs2 Ca1 C2 O6 F1 | Cs2 Ca1 C2 O6 F1 | P-3m1 | 164 | 0.006989 | 2026-02-23 13:05:58 | 1,064 | 1.843082 | 1.845121 | 1.485536 | 0.002038 | 0.359585 | 0.357546 | 0.359585 | -76.858073 | 0.04639 | 0.046582 | 0.010804 | -77.093132 | 0.014357 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.319047273888934, 0.0048966512670935, -0.0850954475668824], [-2.63829800401439, 4.625193085996383, 0.0705236820516836], [-0.0139924322029335, 0.0118941797052624, 9.720395229660584]], "pbc": [true, true, true], "a": 5.3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.309826861575042,0.0,-0.08142096271418106],[-2.6380301764111826,4.614390233649481,0.06417767352394634],[0.0,0.0,10.14031572]],"pbc":[true,true,true],"a":5.310451079999999,"b":5.31562971,"c":10.14031572,"alpha":89.30822887,"bet... | 0.034592 | 0.046582 | [
0.0012205017966158208,
-0.052096715148844876,
-0.05679750346327956,
-0.04619834899449399,
-0.00858779551066823,
0.024667445859713765,
-0.10509503937199231,
0.059574588804741625,
-0.0249272242522629,
0.016244324819203855,
-0.005959114568986089,
-0.058406793930158844,
0.02132993688370742,
-0... | [
0.0005053934389886173,
-0.05134666055481594,
-0.05711212681333543,
-0.044379240496533794,
-0.006484017046752932,
0.027027904478805237,
-0.10812394128919121,
0.05658011243066522,
-0.025274382327024808,
0.015626752493878803,
-0.005007269422543158,
-0.05665957984159439,
0.02066051023293063,
-... | 8 | 8 | 0.33865 | 0.13673 | 0.339481 | 0.139138 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-454ce2579dff4008a2aec2da74f611ba | K5 P1 O2 F4 | K5 P1 O2 F4 | P1 | 1 | 0.0079 | 2026-02-23 20:46:51 | 1,064 | 1.551613 | 1.539513 | 1.557884 | 0.0121 | 0.01837 | 0.006271 | 0.01837 | -56.622238 | 0.001643 | 0.001267 | 0.001316 | -57.188419 | 0.026361 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.298462145916218, 0.0920733456356672, -0.0285892172611428], [0.0369291449616779, 5.065454149691256, -1.6298349774950627], [0.0502280720022121, -0.1279671676003988, 8.70010439895994]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.365458683155987,0.0,-0.05986732641224152],[-0.041424458237994885,5.11888207859333,-1.5606974950143577],[0.0,0.0,8.73552405]],"pbc":[true,true,true],"a":5.36579267,"b":5.351676969999999,"c":8.73552405,"alpha":106.9554319900000... | 0.001409 | 0.001643 | [
-0.05884802751665497,
-0.03938466844979474,
0.05557563714589372,
-0.049319758632082544,
0.08128586362694408,
0.009485339397498517,
-0.04008079322485171,
0.01454609104332046,
-0.018000911396429727,
0.0043191512133857355,
0.00047501409434642347,
-0.05308454641065385,
0.06587532797531216,
-0.... | [
-0.061428068499454945,
-0.038121463844607115,
0.05544082479470853,
-0.047459787501261196,
0.08135976891719866,
0.010887586491851786,
-0.04201210874218344,
0.012746823441538012,
-0.01754109207080484,
0.004273074805600538,
0.0007401644690482774,
-0.05159318412458658,
0.06673734210350203,
-0.... | 8 | 8 | 0.283985 | 0.150394 | 0.222748 | 0.129721 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-6e42260466914db4a87c9c4c2f21f614 | Rb2 B2 F8 | Rb2 B2 F8 | P4_2/nmc | 137 | 0.000905 | 2026-02-23 09:38:38 | 1,064 | 1.382389 | 1.382389 | 1.385244 | 0 | 0.002854 | 0.002854 | 0.002854 | -65.85613 | 0.000289 | 0.000289 | 0.000325 | -66.438858 | 0.0046 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.2387796826614155, 0.0088114487174272, -0.0318518555276475], [-0.0119287630167981, 5.23331818691583, 0.0079270676536554], [-0.0009486089873488, 0.0002854310094564, 7.2244933731108985]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.276089494951282,0.0,-0.03142674763113658],[-0.02085929635777345,5.260832227361659,0.007784301334020486],[0.0,0.0,7.28542733]],"pbc":[true,true,true],"a":5.27618309,"b":5.26087934,"c":7.28542733,"alpha":89.91522182,"beta":90.3... | 0.000301 | 0.000325 | [
-0.04427061943206245,
-0.006686467723988118,
0.022497200676759605,
0.03898344293591119,
0.141235185053044,
0.08200065019616845,
-0.07633740078561858,
-0.0044736675136602564,
0.046349846056025934,
-0.0011831414352158059,
0.0035704302159448114,
0.009631811036565309,
0.10681111359501479,
-0.1... | [
-0.044745651682112315,
-0.006579432510037106,
0.02187513938453313,
0.043324459877562595,
0.14114089054780307,
0.08314313189031482,
-0.07756373747071425,
-0.004137419354433135,
0.04712959349395693,
-0.001927645304598588,
0.003589799186719552,
0.010183978927951913,
0.10680081886966963,
-0.14... | 4 | 4 | 0.000038 | 0.002832 | -0.00141 | 0.002851 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251027-e564f366888848f39ecaad2066a0c95b | Rb4 N6 F2 | Rb4 N6 F2 | Pm | 6 | 0.003164 | 2026-02-23 20:39:20 | 1,064 | 1.71452 | 1.708252 | 1.969201 | 0.006267 | 0.260949 | 0.254682 | 0.260949 | 1.402905 | 0.008807 | 0.005151 | 0.007313 | -68.976685 | 0.070048 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.80408901823015, 0.0024319142624483, -0.0030321933330384], [-0.0072503555463529, 7.210561315600234, 0.0880769341554271], [-0.0008507815829168, 0.1113279370363585, 8.1034402697756]], "pbc": [true, true, true], "a": 3.80... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.721631772245063,0.0,-0.0030959814332001314],[-0.011785077404745001,7.401135896875261,-0.00006001052943040743],[0.0,0.0,9.57650361]],"pbc":[true,true,true],"a":3.72163306,"b":7.40114528,"c":9.57650361,"alpha":90.00046457,"beta... | 0.00709 | 0.008807 | [
-0.019180997445345092,
0.010629480531113268,
-0.05575803838002342,
-0.06316827836058968,
0.12713648016521792,
-0.01236562672989609,
0.09699190708314326,
-0.06468601723147374,
-0.03743008630482895,
-0.010023576095752823,
0.0506108680111035,
0.02066092552174038,
-0.08197040169057097,
-0.0149... | [
0.07242819836399082,
-0.6290241447533462,
0.2583878590994738,
0.017951440426996215,
-0.3640317198719516,
0.2974519243881007,
0.19005703405944663,
0.06547817273892513,
0.060818047003869495,
-0.024641139988293124,
-0.1462515820925783,
-0.23334139455586367,
-0.46951310044339806,
-0.0504187007... | 8 | 6 | 0.384444 | 0.030693 | 0.297876 | 0.382104 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=689-step=13110.ckpt |
cd-251023-b880a5551c2e484181044186d642d5fb | Cs2 K3 Rb1 F6 | Cs2 K3 Rb1 F6 | Pm | 6 | 0.00407 | 2026-02-23 18:16:43 | 1,064 | 1.518881 | 1.523549 | 1.522334 | 0.004667 | 0.001215 | 0.003453 | 0.004667 | -48.303097 | 0.000757 | 0.000788 | 0.000755 | -48.937759 | 0.004756 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.839630906115319, -0.0012986350989274, -0.0045776664664024], [0.0011174380579123, 5.860672291515675, -3.3328807474880526], [0.0021613309531154, 0.01976866483757, 6.787082978918213]], "pbc": [true, true, true], "a": 6.8... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.854023904652661,0.0,-0.006812232720513188],[0.003288849358256151,5.929108660495984,-3.378243248631499],[0.0,0.0,6.84426836]],"pbc":[true,true,true],"a":6.85402729,"b":6.82399207,"c":6.84426836,"alpha":119.67329845000002,"beta... | 0.000767 | 0.000788 | [
-0.005223025678211643,
-0.07464198272561114,
0.05207550746616477,
-0.0776168528182276,
0.07496846099295508,
-0.05160216951125263,
-0.06619253111382978,
-0.0065158854599848244,
-0.06478394891252214,
-0.029452937091527423,
-0.028293036066379913,
-0.0432856795793036,
0.013400923517468848,
-0.... | [
-0.006457415647860323,
-0.07310993349122769,
0.054027576249944344,
-0.07741571419402432,
0.07568363557345988,
-0.04978598691691503,
-0.06589940627964123,
-0.008635887988164037,
-0.065319638071862,
-0.03034170756944322,
-0.027735597481761465,
-0.041279451823443315,
0.015153060025397583,
-0.... | 8 | 8 | 0.025151 | 0.024305 | 0.011561 | 0.019399 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-e14512cbf04146fb97da8ff5a102e841 | K2 As2 O4 F4 | K2 As2 O4 F4 | P1 | 1 | 0.007275 | 2026-02-23 10:48:51 | 1,064 | 1.636399 | 1.647636 | 1.635697 | 0.011236 | 0.011939 | 0.000703 | 0.011939 | -60.619557 | 0.001803 | 0.001881 | 0.001895 | -61.13905 | 0.018963 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.843208456158174, 0.0139319232733861, 0.0005083666659772], [-0.1088941763725087, 6.526825361012801, 0.6019073241771391], [-0.0139707684484089, 0.0355634752024249, 6.576170662007945]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.970730885395891,0.0,0.010951709733028803],[-0.12914610392456216,6.544379942849659,0.5687476192132687],[0.0,0.0,6.60424883]],"pbc":[true,true,true],"a":4.97074295,"b":6.57031669,"c":6.60424883,"alpha":85.03407916000002,"beta":... | 0.00186 | 0.001895 | [
-0.056745642683303475,
-0.010636106998747653,
0.02656999045272289,
-0.04988025779640317,
0.05874632561466923,
0.09357439953542883,
-0.04250509161952785,
0.050874400871120516,
-0.016798850525777845,
0.013994402131480966,
0.02946153485726118,
-0.007647098976946724,
-0.008051543650954637,
-0.... | [
-0.05687071619086855,
-0.01107453383943117,
0.024402334213180017,
-0.041494862943343445,
0.05830511382207643,
0.09604707137149286,
-0.044226776120694034,
0.05067775725078864,
-0.015081564936033616,
0.014724847388231576,
0.031449745476817594,
-0.007723917731681194,
-0.007114016904700951,
-0... | 8 | 8 | 0.103005 | -0.005496 | 0.103144 | -0.004709 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-150110b63f764f758b0b0c88cd86296a | Rb6 O1 F5 | Rb6 O1 F5 | P-1 | 2 | 0.006426 | 2026-02-23 12:54:03 | 1,064 | 1.46042 | 1.504926 | 1.512648 | 0.044506 | 0.007721 | 0.052228 | 0.052228 | -47.357774 | 0.020645 | 0.001595 | 0.001587 | -47.849281 | 0.013174 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.028458105793788, -0.0198434608397794, -0.0265516311905223], [-0.0334772131773002, 7.038907949069816, -0.023760829078142], [-0.0642846272729926, -0.0250632783907095, 9.938671151708082]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.071485453276746,0.0,-0.0005468421989652017],[0.0012094731249953647,7.095415704370098,-0.0060185362035709055],[0.0,0.0,10.05304018]],"pbc":[true,true,true],"a":4.07148549,"b":7.09541836,"c":10.05304018,"alpha":90.04859992,"bet... | 0.007942 | 0.020645 | [
0.018902155073615576,
-0.07548957325865001,
0.05055786349513187,
-0.08127378235217138,
0.052999630379354505,
-0.060007331736035126,
-0.059826549619027884,
-0.02602698892281551,
-0.059539252598090016,
-0.0352818229820494,
-0.023411320615761382,
-0.07902421836786179,
0.031047020750581033,
-0... | [
0.01744010099213099,
-0.07354505545478417,
0.05406143967737163,
-0.08143629973378734,
0.05289537499368053,
-0.0556244328828282,
-0.05955719953377336,
-0.02898132839745866,
-0.06111979082888542,
-0.03649870258953184,
-0.022604649281499703,
-0.07614788257615406,
0.03322923547833289,
-0.14303... | 8 | 8 | 0.161365 | -0.002014 | 0.106407 | 0.002475 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-69c7f4b705874e29bff92cf9a850bf0f | K2 Rb3 As1 O3 F3 | K2 Rb3 As1 O3 F3 | P1 | 1 | 0.007595 | 2026-02-23 20:41:02 | 1,064 | 1.656844 | 1.677391 | 1.632643 | 0.020547 | 0.044748 | 0.024201 | 0.044748 | -54.680096 | 0.005643 | 0.006409 | 0.004716 | -55.121342 | 0.015088 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.595161644589665, 0.0532694774514502, 0.0165480122381765], [0.1198395320054949, 5.282950651608277, -1.8000381820514613], [-0.1465218337086925, 0.0438544269741654, 8.804414597992732]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.656244820188732,0.0,0.11111891791484706],[0.04048982415953973,5.309766246700909,-1.878364571925427],[0.0,0.0,9.06231836]],"pbc":[true,true,true],"a":5.657336199999999,"b":5.632362779999999,"c":9.06231836,"alpha":109.4810429,"... | 0.005589 | 0.006409 | [
-0.014404632522406485,
-0.04342037252006014,
0.06337888934394974,
-0.10331897709431752,
0.07278322571678385,
-0.0003094920686889264,
-0.05839781710939304,
0.006351926630409776,
-0.054171988853541235,
-0.014065021209556147,
0.002328575625076475,
-0.08456851104231611,
0.026002635141790853,
-... | [
-0.016828385492607536,
-0.04206431043902981,
0.0639418889141206,
-0.10093208991721969,
0.07307707891057341,
0.004311375949372552,
-0.061285771752145134,
0.002857151947140313,
-0.055040432831881786,
-0.014665966529823249,
0.0023912915165231,
-0.08262011704061571,
0.02791665714122042,
-0.110... | 8 | 8 | 0.212656 | 0.011747 | 0.155313 | -0.007966 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-c6f5e31bb849406383d57b871eb1776d | Cs2 K3 P1 O4 F2 | Cs2 K3 P1 O4 F2 | P1 | 1 | 0.006665 | 2026-02-23 12:01:50 | 1,064 | 1.596371 | 1.597749 | 1.605086 | 0.001378 | 0.007337 | 0.008715 | 0.008715 | -60.869621 | 0.001096 | 0.001127 | 0.001215 | -61.205444 | 0.036303 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.6062984403612095, -0.0972732997068355, 0.1420848813028752], [1.8633050447937787, 5.633065880415389, -1.896963205968432], [-0.0290906133137231, 0.0185562106891135, 8.115036254796692]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.672738237358887,0.0,0.16205798243868613],[1.9789797841777865,5.826356084710297,-1.8977029713656492],[0.0,0.0,8.09242319]],"pbc":[true,true,true],"a":5.67505259,"b":6.439259490000001,"c":8.09242319,"alpha":107.1400443,"beta":8... | 0.001146 | 0.001215 | [
-0.010768053378558873,
-0.05279500915213294,
0.02777221117604752,
-0.08687319026293154,
0.056594183857638945,
-0.018580625100049677,
-0.0928171334705371,
0.002203677908379227,
-0.041238704586746416,
0.00038309645477936925,
-0.000371935260992626,
-0.06200266760155399,
0.011386245539106056,
... | [
-0.013134439096754554,
-0.05246476425592996,
0.02848087487374872,
-0.08613728045264528,
0.059380444085799344,
-0.01618527468817936,
-0.0947797017717238,
-0.000325815905568116,
-0.04350070514711668,
-0.0012731180417707988,
-0.0005159485658084093,
-0.0617469600248298,
0.014575518186696735,
-... | 8 | 8 | 0.059529 | 0.002729 | 0.047049 | -0.003049 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251126-cc4c5081ce6c4b1b90e4630d3acca476 | Sr1 I5 O13 | Sr1 I5 O13 | P1 | 1 | 0.004466 | 2026-02-23 15:51:35 | 1,064 | 2.200134 | 2.368296 | 2.319085 | 0.168162 | 0.049211 | 0.118951 | 0.168162 | -83.785583 | 0.019749 | 0.022928 | 0.018865 | -84.274429 | 0.062175 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.305484602898895, -0.072234538937124, -0.8058786597492336], [-0.4637981649122591, 7.298377202752789, -2.7965441106116598], [-0.1243447263350928, 0.1415242537636608, 7.5344514537363265]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.3832215569129085,0.0,-0.6945116203367442],[-0.45295993140942586,7.404802899433309,-2.9366055288116235],[0.0,0.0,7.51441697]],"pbc":[true,true,true],"a":6.420892760000001,"b":7.97871736,"c":7.51441697,"alpha":111.5957040500000... | 0.020514 | 0.022928 | [
0.001997922165272025,
-0.1002373745794407,
0.11317543253400497,
-0.09405139443050206,
-0.1392100215610748,
0.08576085974973977,
-0.08360988276267423,
0.07199428922843935,
-0.04320658312940454,
0.026074005170318788,
-0.07369900911098932,
-0.24498090234849826,
-0.06550115828070799,
-0.106102... | [
0.0023171768848664538,
-0.10132099752321429,
0.10589769894343153,
-0.08335415633393795,
-0.14731640873842886,
0.0775496381895494,
-0.09088958117243288,
0.0699305117767664,
-0.034766193569157396,
0.027641075242924244,
-0.06929439692451703,
-0.23974708854093282,
-0.0708783799137685,
-0.10588... | 7 | 7 | 0.2906 | -0.037538 | 0.283244 | 0.00188 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-e44f29debf52432ab03b57b53a926265 | K3 Li1 C2 O6 | K3 Li1 C2 O6 | Pm | 6 | 0.003925 | 2026-02-23 09:30:02 | 1,064 | 1.521315 | 1.671796 | 1.640641 | 0.150481 | 0.031155 | 0.119325 | 0.150481 | -74.451487 | 0.000756 | 0.001436 | 0.00131 | -74.599571 | 0.019283 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.652914436295534, -0.0050870164931292, 0.3984310674525042], [-0.0209007752397305, 5.486761079629289, -0.0044026693796713], [0.0550323949775868, -0.0046296125896502, 8.79011848027282]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.7918653331930994,0.0,0.3767042383728615],[-0.014085996736920734,5.484349548456713,-0.0014525073115448847],[0.0,0.0,8.82077225]],"pbc":[true,true,true],"a":3.8105313,"b":5.48436783,"c":8.82077225,"alpha":90.0151745,"beta":84.3... | 0.001167 | 0.001436 | [
-0.029463704006045834,
-0.009811171102074672,
-0.03145167089675779,
-0.013625234714731455,
0.026187067189498852,
0.03745553798413697,
-0.07164153209442245,
0.01787771634927129,
-0.001414698667116907,
0.0448744701125032,
0.009834959339005746,
-0.10474220208242752,
0.0759024196836363,
-0.042... | [
-0.0313788534964699,
-0.009593775679294486,
-0.030260440770324484,
-0.009934223643221855,
0.025595416552404885,
0.03833748445440157,
-0.07371238712364804,
0.016137388709445432,
-0.0028745383423494143,
0.044462144068696,
0.010999859135409703,
-0.10144811111145303,
0.07635445331209816,
-0.04... | 8 | 8 | 0.119642 | -0.000043 | 0.126407 | -0.000956 | crystal-diffusers | test_08-25_11-04/epoch=204-step=3280.ckpt |
cd-251023-8c3e12a4855744428fa71f228c7c7e16 | B3 F9 | B3 F9 | P1 | 1 | 0.001516 | 2026-02-23 15:44:56 | 1,064 | 1.272596 | 1.321022 | 1.331953 | 0.048427 | 0.010931 | 0.059358 | 0.059358 | -69.522593 | 0.000236 | 0.000303 | 0.000338 | -70.121521 | 0.034335 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9181629827679227, 0.0206239734828336, -2.6685052034090027], [-3.536130308168227, 12.258306522991347, -6.95284811208197], [0.0514010489377895, -0.0757942118843636, 5.3069476429291145]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.066002783463954,0.0,-2.805480509994788],[-3.5340772826841307,12.807474257870206,-7.014370510601581],[0.0,0.0,5.52036044]],"pbc":[true,true,true],"a":4.15585057,"b":15.024063789999998,"c":5.52036044,"alpha":117.83168273999999,... | 0.000292 | 0.000338 | [
-0.08987760886799719,
-0.03420450684029056,
0.06228426958814994,
0.05767431247027682,
0.09923371646321022,
0.1246842858128317,
-0.04087472330486462,
0.06283945709069429,
0.08202125887702415,
0.030996278808980485,
0.010598978762167975,
0.09635996750668524,
0.08468565808858645,
-0.1833741958... | [
-0.08600204074280954,
-0.04871021891180482,
0.059998802411466184,
0.09806102953561203,
0.09935735903135078,
0.1280316725162911,
-0.05720209124935068,
0.07872570133938611,
0.09658347917337874,
0.03901907108962083,
0.008998497233985103,
0.08903033942933042,
0.08129519518161599,
-0.1824226587... | 4 | 4 | 0.049115 | 0.001091 | 0.061005 | 0.002199 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-cb43dbdcf1a74cf98523bd27711d816f | Au2 I2 O8 | Au2 I2 O8 | P2_1 | 4 | 0.003089 | 2026-02-23 20:25:56 | 1,064 | 2.878631 | 3.285769 | 3.234223 | 0.407137 | 0.051546 | 0.355591 | 0.407137 | -50.779466 | 0.198792 | 0.125207 | 0.18465 | -50.746571 | 0.019777 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.430151541066952, 5.79892307989e-05, 0.0003155933649534], [-0.0006584370094041, 5.267071283692521, -1.6044141338230373], [9.14532017899e-05, 0.1982954131777717, 7.238932718137924]], "pbc": [true, true, true], "a": 4.43... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.481375172883715,0.0,0.0002525499587458614],[-0.0007370772449966555,5.532232084601261,-1.7707846546781987],[0.0,0.0,7.30594397]],"pbc":[true,true,true],"a":4.48137518,"b":5.808723669999999,"c":7.30594397,"alpha":107.74909052,"... | 0.16955 | 0.198792 | [
0.057753590781361996,
-0.15902523868463594,
0.09213803152323792,
0.020251632131929594,
-0.17218574048275428,
0.08214672728110102,
-0.09289458756398199,
0.051546194359204274,
0.016662397179083386,
0.05626436679324639,
-0.062014785746836804,
-0.26492240820941176,
-0.09744024126821627,
-0.060... | [
0.07021578056881621,
-0.17637368321579835,
0.10092673863346885,
0.03249447998353785,
-0.17725530026233458,
0.09515837378860624,
-0.10338632313158318,
0.0389751207087042,
0.012162618417616995,
0.04617800705814962,
-0.06489561478422555,
-0.28000221231086114,
-0.08869267751665538,
-0.05717456... | 7 | 6 | 0.342228 | 0.107371 | 0.33354 | 0.154673 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-2ea4b34fe3344036a62b1c15826a8c1b | Na5 As1 O3 F3 | Na5 As1 O3 F3 | P1 | 1 | 0.008479 | 2026-02-23 12:05:58 | 1,064 | 1.712725 | 1.699503 | 1.733053 | 0.013222 | 0.03355 | 0.020328 | 0.03355 | -56.926501 | 0.01121 | 0.010444 | 0.008453 | -56.731571 | 0.018517 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.615441880565078, 0.0116918499669268, 0.0346297408879809], [-0.0127854712458788, 4.407572396485885, -1.4174461589537644], [0.0095391766181723, 0.0005655362156394, 7.3900448153207]], "pbc": [true, true, true], "a": 4.61... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.7552988708465795,0.0,0.029692304597432974],[-0.022743353232822016,4.516664053746759,-1.4656315060339684],[0.0,0.0,7.63973941]],"pbc":[true,true,true],"a":4.75539157,"b":4.74856264,"c":7.63973941,"alpha":107.97773535000002,"be... | 0.010036 | 0.01121 | [
-0.11068140894886364,
-0.008434896356940136,
0.07533279994812113,
-0.01758404738464725,
0.07109116760347244,
0.019789418499818887,
-0.02539348995317027,
0.048172865173586245,
-0.0423981053707277,
-0.007505259695388566,
0.004077441750735627,
-0.015876007081681003,
0.0684640524044721,
-0.098... | [
-0.11774470474127587,
-0.0014164247653928545,
0.06932617182987286,
-0.0054734816129225865,
0.08078074130050596,
0.02156169456135427,
-0.02804806761558413,
0.03876456653555609,
-0.03699526612113225,
-0.0009697325277539895,
0.008205247904922766,
-0.005617177747058247,
0.07845893742667483,
-0... | 8 | 0 | 0.158166 | 0.03102 | 0.121283 | 0.059252 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-cf00f71d711d4250a85b6a390e31c256 | Ga2 P2 O8 | Ga2 P2 O8 | Pc | 7 | 0.000239 | 2026-02-23 19:43:49 | 1,064 | 1.648181 | 1.648212 | 1.658825 | 0.00003 | 0.010614 | 0.010644 | 0.010644 | -81.592451 | 0.001244 | 0.001244 | 0.001236 | -82.012238 | 0.036629 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9858104664726905, -0.000393153859178, -0.0024189729772823], [0.0011053773033928, 5.082792697667646, -0.0073144362333724], [-0.0078726165139171, 0.0038604452244881, 6.8913347948287855]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.051994262074868,0.0,0.0032694440662859895],[0.0015162657620352064,5.124673358155802,-0.010426906647063288],[0.0,0.0,7.08698538]],"pbc":[true,true,true],"a":5.05199532,"b":5.12468419,"c":7.08698538,"alpha":90.11657658000001,"b... | 0.001241 | 0.001244 | [
-0.04777715505184391,
0.04264646221798124,
0.006106679904970565,
-0.06886082381557229,
0.05884058618086548,
0.08009667174068856,
-0.07235418400802075,
0.06767290614116613,
-0.012481027795399802,
-0.013712292158411958,
0.03925374295008748,
0.0333789453770591,
0.055159827668495844,
-0.155767... | [
-0.03919045427246443,
0.03605533985853026,
0.0013737366124073243,
-0.05240723585081345,
0.056348816199664246,
0.08179324001054555,
-0.08053499680231148,
0.07445707064340899,
-0.0072468697217805455,
-0.009358882919763148,
0.03785893390218097,
0.029804437880049772,
0.04934117407945535,
-0.15... | 8 | 8 | 0.030091 | -0.001235 | 0.03435 | -0.002901 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251109-f6f806fddd9845e7b92b7b40ef7be920 | Na2 S2 O7 F1 | Na2 S2 O7 F1 | P1 | 1 | 0.007426 | 2026-02-23 11:15:06 | 1,064 | 1.541822 | 1.60972 | 1.663419 | 0.067897 | 0.053699 | 0.121597 | 0.121597 | -65.75051 | 0.033402 | 0.10098 | 0.195351 | -65.892868 | 0.028938 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.5753478938859535, 0.0233742932649192, 0.0136132938379992], [-0.066414296769792, 4.915635571561344, 0.1301389283732923], [-0.0184075491147646, -0.0040055803657507, 7.902028920358363]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.664197326662596,0.0,0.024937248529269474],[-0.09310718170964635,5.05161669010548,0.13987699470788426],[0.0,0.0,8.32496285]],"pbc":[true,true,true],"a":4.66426399,"b":5.05441052,"c":8.32496285,"alpha":88.4141801,"beta":89.6936... | 0.109911 | 0.195351 | [
-0.04447672918331185,
-0.0006313298938458214,
-0.006162992821734946,
0.011759910770848127,
-0.06418404076562963,
0.07958518573612325,
-0.07265468756663236,
0.11923464975154198,
-0.03478387824336802,
0.011255953530344505,
0.0304626803761376,
-0.005364858956789381,
-0.055907970354027205,
-0.... | [
-0.046466005718213,
-0.008453942423641633,
-0.009387994166992241,
0.03896253406166272,
-0.06775075197595619,
0.08233542114260327,
-0.08170640886189394,
0.12171206805880302,
-0.028857753344263822,
0.012039570462059437,
0.03188546847149135,
-0.002841654581026395,
-0.0522588476101238,
-0.1632... | 8 | 8 | 0.346253 | 0.176485 | 0.370945 | 0.169527 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251027-f4909f74ff3f4a96a3929ca6c68123cc | Rb6 N2 F4 | Rb6 N2 F4 | Pm | 6 | 0.005265 | 2026-02-23 15:48:11 | 1,064 | 1.104277 | 1.767458 | 1.570137 | 0.663182 | 0.197321 | 0.46586 | 0.663182 | -50.293007 | 0.663647 | 0.569745 | 0.277364 | -50.871014 | 0.026319 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.94020248310407, 0.0007824388737923, -0.0013667474648435], [-0.0061244938323274, 7.264626253227359, -0.2526317613139195], [-0.0015688204799664, -0.0791608813895314, 10.770132528687114]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.034340551456149,0.0,-0.0007960812101831697],[-0.007771079387036333,7.243901348018226,-0.19713841717088837],[0.0,0.0,10.66074962]],"pbc":[true,true,true],"a":4.03434063,"b":7.24658752,"c":10.66074962,"alpha":91.55888450000002,... | 0.503585 | 0.663647 | [
0.024651123327168827,
-0.04588153351121837,
0.03267852818329447,
-0.09162588096428008,
0.09217216521885896,
-0.05949650204447923,
-0.012139584290456827,
-0.05086444993476961,
-0.0649357486690486,
-0.03478717674837138,
0.000429326549030086,
-0.06730498649969144,
0.021819567555122387,
-0.102... | [
0.023812529047700384,
-0.0446897403921462,
0.032998108247657795,
-0.09144436363525471,
0.09378396754183814,
-0.058122568695632766,
-0.011550787372096557,
-0.052840861422733455,
-0.06548606552265439,
-0.03506797294895693,
0.00033658438780731725,
-0.06707305157634837,
0.023222426143845665,
-... | 8 | 8 | 0.757644 | 0.526581 | 0.750573 | 0.516953 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=604-step=11495.ckpt |
cd-251023-f379f362f6004a56a8cca04d0f8021a1 | K2 Na4 F6 | K4 Na8 F12 | Cmmm | 65 | 0.005379 | 2026-02-23 16:12:10 | 1,064 | 1.39474 | 1.395887 | 1.39151 | 0.001147 | 0.004377 | 0.00323 | 0.004377 | -50.294531 | 0.000538 | 0.000537 | 0.000539 | -50.672787 | 0.008276 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.674140164212494, -0.0003520371882619, -1.5757617533534656], [-0.0003379499185362, 4.955796206590107, -0.0025861970227221], [-0.0006551133302307, -0.0003134933149705, 7.710545462874666]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.752241949484034,0.0,-1.6024411530352132],[0.00010340161182285755,5.029850714191318,-0.0024253595372522923],[0.0,0.0,7.84306632]],"pbc":[true,true,true],"a":5.0151392,"b":5.0298513,"c":7.84306632,"alpha":90.02762763,"beta":108... | 0.000538 | 0.000539 | [
-0.09459024396972567,
-0.03829527806975062,
0.09823423314657793,
-0.005076437398715186,
0.07112194283265003,
-0.03834284342605076,
0.005821207089300594,
0.031267327740575536,
-0.027135554166198884,
-0.024513495442186884,
-0.01402265776512074,
-0.004838056384899421,
0.071233077835027,
-0.13... | [
-0.09838934431658108,
-0.03464386409204127,
0.09731037036241856,
-0.0014904776316429422,
0.0761552227990651,
-0.03797310969403945,
0.0061203848606831415,
0.025887619032245335,
-0.024943747167890922,
-0.023812842371765452,
-0.011178055377491744,
0.0006186994896397341,
0.07689271258045029,
-... | 8 | 8 | -0.001327 | 0.013939 | -0.006814 | 0.007529 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-e27bddaf6c8442358f8c2b22d0d27e55 | Al2 P2 O8 | Al2 P2 O8 | I-4 | 82 | 0.000006 | 2026-02-23 13:06:23 | 1,064 | 1.522629 | 1.522991 | 1.52627 | 0.000361 | 0.003279 | 0.003641 | 0.003641 | -89.785395 | 0.00069 | 0.000689 | 0.000688 | -89.819237 | 0.008504 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.112978121847317, -0.0018403287276825, -0.0029479892773232], [-0.2705405439703963, 5.104659469941613, 0.0034795799051841], [0.0016136072882173, -0.0027023937722994, 7.03180709853811]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.142303662688783,0.0,-0.004140971375516406],[-0.27024809935282795,5.136968674469906,0.00553408327989783],[0.0,0.0,7.08068402]],"pbc":[true,true,true],"a":5.14230533,"b":5.14407541,"c":7.08068402,"alpha":89.93836022,"beta":90.0... | 0.000689 | 0.00069 | [
-0.07294048075929771,
0.05709402070556388,
-0.0046112604234736995,
-0.058676772343679955,
0.12045775616115272,
0.08055708293361316,
-0.081055303825463,
0.05600198698863934,
-0.006390754482400222,
-0.050807154448339796,
0.06271423876846856,
0.06471741361918341,
0.07455257630576682,
-0.13463... | [
-0.07220934683123514,
0.05550849977850866,
-0.005303899668101221,
-0.05326796295527103,
0.1209685142683954,
0.08156082322705191,
-0.08259125941008148,
0.05645137413631374,
-0.0049052530378169935,
-0.05097587763454837,
0.06336553147396351,
0.06411872549239132,
0.07434779163563394,
-0.134100... | 3 | 3 | 0.011146 | -0.008205 | 0.009901 | -0.009183 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-5e62a9e13ff04b7086d82e8ed4bc3c8d | Mg1 Al1 P2 O8 | Mg1 Al1 P2 O8 | P1 | 1 | 0.009034 | 2026-02-23 14:03:17 | 1,064 | 1.535494 | 1.511536 | 1.332364 | 0.023958 | 0.179172 | 0.20313 | 0.20313 | -84.356869 | 0.068121 | 0.058649 | 0.055615 | -84.329514 | 0.027142 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.049251242786003, -0.0030572233807273, 1.4187136338527968], [-2.334660308157195, 4.574321145504416, -1.3106244520313732], [0.0064282606468583, 0.0274619163609666, 9.27156757900728]], "pbc": [true, true, true], "a": 5.2... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.0969812420864065,0.0,1.4414211566892194],[-2.3496110399434205,4.60166235374877,-1.3469428559961873],[0.0,0.0,9.44285341]],"pbc":[true,true,true],"a":5.29687764,"b":5.339496560000001,"c":9.44285341,"alpha":104.61130386,"beta":... | 0.060795 | 0.068121 | [
-0.06647003786618656,
0.05134742092577543,
-0.012112597445078177,
-0.07029642419817962,
0.06739422094909082,
0.04601789810978433,
-0.07204073022783965,
0.06546975189233616,
-0.01316387294758105,
-0.039696932778005865,
0.04966440852900315,
0.06499342601991762,
0.05201414192333779,
-0.143155... | [
-0.06704403935060545,
0.050091802907520355,
-0.013329084692396992,
-0.06323831575161236,
0.06907473262919885,
0.04650620155134944,
-0.07420237707817263,
0.06601207781553552,
-0.01117412419323495,
-0.040237180532689786,
0.05093034823938716,
0.06555156432773789,
0.0521900199567959,
-0.141274... | 8 | 8 | 0.075748 | 0.239227 | 0.0812 | 0.243594 | crystal-diffusers | test_08-25_11-04/epoch=04-step=0080.ckpt |
cd-251023-97f7c841432d4a94ab84b02b8d7e3634 | Rb3 P2 O6 F1 | Rb3 P2 O6 F1 | P1 | 1 | 0.004296 | 2026-02-23 10:19:40 | 1,064 | 1.5004 | 1.526532 | 1.524566 | 0.026132 | 0.001967 | 0.024166 | 0.026132 | -72.668287 | 0.000733 | 0.000786 | 0.000787 | -72.867218 | 0.013102 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.503299680125439, -0.005756400452608, 0.0331196059370234], [0.0504705645033115, 7.119562616548886, -1.4163059194853547], [-0.0528334685636592, -0.0319527782072572, 7.98115196077572]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.551803960969768,0.0,0.06337383070983954],[0.05034580365070829,7.085431975012769,-1.3996976575349345],[0.0,0.0,8.04896151]],"pbc":[true,true,true],"a":4.55224511,"b":7.22253657,"c":8.04896151,"alpha":101.17438944,"beta":89.202... | 0.000769 | 0.000787 | [
0.005351793098808232,
-0.016417624675270182,
-0.00015191091432214046,
-0.08922643986640078,
0.05898052869688305,
0.05477030201396069,
-0.0826014804257384,
0.011544326788506231,
-0.03757638720737487,
-0.012892999113157402,
0.03578417833577485,
-0.04054535314946484,
0.04058951472737047,
-0.1... | [
0.005201634532119396,
-0.01633037407885751,
0.0003931357345123773,
-0.08747587503449845,
0.059114144752098724,
0.057045566037045525,
-0.08398985735334748,
0.01052937954369629,
-0.038012346342381764,
-0.013195632771803079,
0.03639193529158863,
-0.041199468517309136,
0.04202616161646413,
-0.... | 8 | 8 | 0.015824 | -0.014462 | 0.016829 | -0.013592 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251103-0f0bc012b100423eaeb32acf1a99bffb | Rb4 Na1 Tl1 F6 | Rb4 Na1 Tl1 F6 | Pm | 6 | 0.003214 | 2026-02-23 19:39:44 | 1,064 | 1.587483 | 1.590944 | 1.57172 | 0.003461 | 0.019225 | 0.015764 | 0.019225 | -48.058123 | 0.001858 | 0.001949 | 0.001527 | -48.620914 | 0.00947 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8105443822864387, -0.0003331889799675, 0.0003147891387013], [0.0021754236641258, 5.654517005740416, -0.0294281246061956], [-0.0033060639737829, -0.0262403393648705, 11.879520288736138]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.867739361675048,0.0,0.0013859698574017264],[0.002697092467186917,5.73064497929914,-0.016864880733621124],[0.0,0.0,11.94041302]],"pbc":[true,true,true],"a":3.86773961,"b":5.730670429999999,"c":11.94041302,"alpha":90.1686169,"b... | 0.001778 | 0.001949 | [
-0.005864529441287129,
-0.05522519318931312,
0.06503820181891991,
-0.09118708968803611,
0.07187539166503051,
-0.056258901398799084,
-0.04866619855747397,
-0.012683487143871843,
-0.05262100674110145,
-0.04723481703555137,
-0.036640370929346223,
-0.07004948329474159,
0.04083414229374347,
-0.... | [
-0.007644913363110388,
-0.05357548704239895,
0.06766233349015875,
-0.09081277023140233,
0.07504914016852651,
-0.05256344777571768,
-0.04863101918460222,
-0.016459013115247344,
-0.05420503849245332,
-0.04840965177705105,
-0.03581236807231686,
-0.06886317961031253,
0.044551744927375785,
-0.1... | 8 | 8 | 0.104633 | -0.005563 | 0.052405 | -0.008451 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-d4c2e794989742caaaba8b63b088708e | K4 Na2 F6 | K4 Na2 F6 | P2/m | 10 | 0.003262 | 2026-02-23 10:45:44 | 1,064 | 1.424535 | 1.418238 | 1.41926 | 0.006297 | 0.001022 | 0.005275 | 0.006297 | -49.995995 | 0.000562 | 0.000529 | 0.000528 | -50.551777 | 0.01099 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.650936671744965, -0.0016464474509024, -0.0020371222539463], [0.0015890120450998, 6.1693986046718665, -0.5521457446115764], [0.0064640130812064, 0.0158479577795889, 9.106101355643432]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.6895095526708657,0.0,-0.004687192915797486],[0.004806918482206546,6.254912347335785,-0.5705750476929795],[0.0,0.0,9.23048707]],"pbc":[true,true,true],"a":3.68951253,"b":6.2808842899999995,"c":9.23048707,"alpha":95.2121123,"be... | 0.00054 | 0.000562 | [
-0.07622092162460693,
-0.03971182579886035,
0.0840053753525039,
-0.013385558473820898,
0.07819225994213785,
-0.051158119067401954,
-0.0026164623391870707,
0.014821792210239828,
-0.02382297424480921,
-0.011832070941836382,
-0.012976330700503946,
-0.024904661648125475,
0.06217155190225295,
-... | [
-0.07928261513989636,
-0.03636416741836861,
0.08477022814897417,
-0.011487942468102719,
0.08113885081200162,
-0.05056686068331295,
-0.001585034098604353,
0.010983793770273038,
-0.022634704166778808,
-0.011686349845487365,
-0.011212668314770026,
-0.02033680753657049,
0.06605264847973813,
-0... | 8 | 8 | -0.001324 | 0.002286 | -0.005238 | -0.000686 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-2b3857a869504bdaa31d89ab22931e6e | K5 P1 O3 F3 | K5 P1 O3 F3 | P1 | 1 | 0.009965 | 2026-02-23 19:36:49 | 1,064 | 1.537271 | 1.542109 | 1.551355 | 0.004839 | 0.009245 | 0.014084 | 0.014084 | -58.676002 | 0.001301 | 0.001297 | 0.001418 | -59.263363 | 0.022794 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.072517262225173, 0.0824546990953173, -1.5941329667388786], [0.0249187164587941, 5.334349587988924, -0.0808548947181901], [-0.1381109665588832, 0.0711263984444944, 8.640306857314355]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.122678669367246,0.0,-1.5359244512055938],[-0.07808614160807954,5.3759084186488835,-0.12790391440415022],[0.0,0.0,8.76933434]],"pbc":[true,true,true],"a":5.34798099,"b":5.377996669999999,"c":8.76933434,"alpha":91.3627835700000... | 0.001339 | 0.001418 | [
-0.060831319948431946,
-0.036226227886934026,
0.06164897878772399,
-0.05414209371767318,
0.06723392020560472,
-0.01065970292669135,
-0.03412196149339231,
0.02256741295625747,
-0.01656298125198653,
0.0050652538043099845,
0.007602793981855981,
-0.04457872718690482,
0.04951490716501828,
-0.11... | [
-0.06374677491974977,
-0.03460082035479786,
0.06224259005660087,
-0.05237219210181058,
0.06869910655486607,
-0.00823328100791793,
-0.035948483585929954,
0.019578337798807705,
-0.016882269555369676,
0.004363556382814005,
0.008545271907158631,
-0.04252195489159658,
0.05116688648660031,
-0.11... | 8 | 8 | 0.274857 | 0.071214 | 0.211585 | 0.051309 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251030-79cf8d92fdea484499eed2491348098f | Rb5 P1 O4 F2 | Rb5 P1 O4 F2 | P31m | 157 | 0.005669 | 2026-02-23 10:10:24 | 1,064 | 1.550452 | 1.553255 | 1.553255 | 0.002803 | 0 | 0.002803 | 0.002803 | -60.625673 | 0.001 | 0.001062 | 0.001062 | -60.910515 | 0.005968 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.23201089655903, 0.002166727503913, 0.0076794254024264], [-0.0027309690432761, 6.183537005760751, -3.535000065055534], [-0.0040450117564481, -0.0057477751737717, 7.1060846382416765]], "pbc": [true, true, true], "a": 6.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.34300139847517,0.0,0.011320250627913865],[-0.007002203401793707,6.227069424566291,-3.540654456976495],[0.0,0.0,7.12757109]],"pbc":[true,true,true],"a":6.3430115,"b":7.163286719999999,"c":7.12757109,"alpha":119.62214680000001,... | 0.001041 | 0.001062 | [
0.0226682776086258,
-0.0370597781451761,
0.0383257019103194,
-0.11180973813637655,
0.06260877606409147,
-0.020430916713084984,
-0.0797986166377591,
-0.025695299540499428,
-0.03455762601095265,
-0.015574289918558104,
0.0004927376967512574,
-0.09471576319525887,
0.04213207066997326,
-0.14849... | [
0.020646433712925936,
-0.036016086413036684,
0.0401936058513745,
-0.11158752289950753,
0.06397997402421102,
-0.016888149529450728,
-0.08071415826389684,
-0.02772936041661699,
-0.03638288657912391,
-0.01670837796803545,
0.0004627988793330269,
-0.0942458665889734,
0.044058740761286935,
-0.14... | 8 | 8 | 0.046846 | -0.006555 | 0.037318 | -0.006952 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-62cde15ec1994c4ab962ae3a261b631e | P4 N5 O2 F1 | P4 N5 O2 F1 | P1 | 1 | 0.007853 | 2026-02-23 17:31:41 | 1,064 | 1.984493 | 1.935023 | 1.691627 | 0.049471 | 0.243396 | 0.292866 | 0.292866 | -85.352427 | 0.003679 | 0.003566 | 0.001241 | -85.44532 | 0.049021 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.982406792972115, 0.0121154734191023, -0.3520896884518096], [-2.441060013479496, 4.140560794788753, 0.0559894276448365], [-0.1200185362217516, -0.0115064262494766, 8.25986045813138]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.988706484540964,0.0,-0.29849277253139145],[-2.4555949774805,4.2062320356970835,0.029283673358331583],[0.0,0.0,8.71834132]],"pbc":[true,true,true],"a":4.99762847,"b":4.870645970000001,"c":8.71834132,"alpha":89.65551982,"beta":... | 0.002829 | 0.003679 | [
-0.08731026301237939,
0.01647383388923821,
-0.00024211497277073132,
-0.09529665360127342,
0.020375123915897256,
0.05825021881806697,
-0.03262101555032971,
0.012536905628294548,
0.03571736943893365,
-0.019473373765187124,
0.05701604332208471,
0.1353724018050865,
0.03645730260168092,
-0.2009... | [
-0.08007563134342156,
0.010145675793599743,
-0.0038353463271854488,
-0.08439984337670059,
0.01540275368194161,
0.06189693872462219,
-0.03901562338500476,
0.01334064645247253,
0.03949798675098986,
-0.014221259536213138,
0.05634490436985326,
0.1279293599887218,
0.03673852624549067,
-0.204264... | 8 | 8 | 0.152654 | 0.10665 | 0.155616 | 0.092188 | crystal-diffusers | test_08-25_11-04/epoch=244-step=3920.ckpt |
cd-251023-5562fc4da87a483799b0f7bd9d447811 | K3 Na2 B1 O3 F3 | K3 Na2 B1 O3 F3 | Pm | 6 | 0.008936 | 2026-02-23 13:05:13 | 1,064 | 1.443375 | 2.166338 | 2.269239 | 0.722963 | 0.102901 | 0.825864 | 0.825864 | -59.671395 | 0.005612 | 0.508646 | 0.612166 | -59.790859 | 0.017552 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6543789431091853, -0.0013962770413268, 0.0047587369784198], [0.0065279887523864, 5.667539160043109, -2.1336329594964014], [-0.0049076305568252, -0.009050258691033, 9.527744424673077]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.7235497997523126,0.0,0.00674011790122728],[0.007717482201439412,5.715301287667501,-2.162789637034791],[0.0,0.0,9.68215267]],"pbc":[true,true,true],"a":3.7235559,"b":6.11084179,"c":9.68215267,"alpha":110.72767431,"beta":89.896... | 0.375475 | 0.612166 | [
-0.09178922245548576,
-0.04793414903310464,
0.05724515671318987,
0.013425331039620547,
0.038424744142810274,
-0.04008624153968529,
-0.019474232690576212,
0.03952693413498027,
0.0037706955006096836,
0.02735355116618896,
-0.0077925834920536076,
-0.033819918759808325,
0.039839465875138015,
-0... | [
-0.09564762859688826,
-0.04569559959564884,
0.05717393039188228,
0.016502983343578494,
0.0400168296125965,
-0.03904994745637607,
-0.019937095066951366,
0.03599213677445182,
0.0038261548348693937,
0.027117134980392518,
-0.006012575640738618,
-0.0287908260117138,
0.04208859792461309,
-0.1100... | 8 | 8 | 0.436657 | 0.098192 | 0.46258 | 0.098053 | crystal-diffusers | test_08-25_11-04/epoch=159-step=2560.ckpt |
cd-251023-ac9e821867ee480482cc3277024e0252 | Na2 Li1 B3 O6 | Na2 Li1 B3 O6 | Pm | 6 | 0.008051 | 2026-02-23 10:18:47 | 1,064 | 1.528627 | 1.663611 | 1.680507 | 0.134984 | 0.016895 | 0.151879 | 0.151879 | -80.994704 | 0.00085 | 0.001383 | 0.001517 | -80.855492 | 0.010035 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3312756418138822, 0.0026787116474996, 0.0181567532831577], [-0.0019841930898447, 4.62888163771721, -0.0874609992482035], [-0.026811522661664, -0.0098929270776517, 8.452802878787297]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.4347756000182077,0.0,0.028879868879515727],[-0.006276087149248971,4.65016549894588,-0.0827339190631994],[0.0,0.0,8.5206634]],"pbc":[true,true,true],"a":3.4348970099999994,"b":4.650905660000001,"c":8.5206634,"alpha":91.0192755... | 0.00125 | 0.001517 | [
-0.0983337803172452,
-0.03565095029285936,
0.003939942351802488,
0.052428812994284084,
0.08634416270657815,
0.040870292669949126,
-0.06060685900184778,
0.04666824852991569,
0.020504117279078794,
0.04571590450945997,
0.009005596294983943,
-0.0005817810153092665,
0.10427692768227513,
-0.0974... | [
-0.09949983612405865,
-0.035889465512873635,
0.004516193913518547,
0.06073955098263025,
0.08856799333099753,
0.04243981330359322,
-0.06193804459613406,
0.0443917765552142,
0.02024592445429633,
0.04531476431971345,
0.011032957304321222,
0.002825020135325864,
0.10534032812715281,
-0.09952586... | 4 | 4 | 0.046971 | 0.003451 | 0.052856 | 0.004093 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-3ea705d7a6f5466bac090b26361d9049 | Cs3 K3 F6 | Cs6 K6 F12 | Cmmm | 65 | 0.00299 | 2026-02-23 14:07:33 | 1,064 | 1.526106 | 1.526499 | 1.523975 | 0.000393 | 0.002524 | 0.002131 | 0.002524 | -48.323995 | 0.000786 | 0.000786 | 0.000755 | -48.949665 | 0.007205 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.801183520155644, 0.0011187374864884, 0.0026191890709106], [-0.0023488347703193, 5.490774476346229, 1.8569635947124834], [-0.0012595977984535, -0.0043877890674273, 9.076436224675952]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.8454635046418675,0.0,0.0034453561279703684],[-0.003174789202896651,5.527972890969313,1.8713411893868832],[0.0,0.0,9.13366053]],"pbc":[true,true,true],"a":5.845464520000001,"b":5.8361299,"c":9.13366053,"alpha":71.29790501,"bet... | 0.000776 | 0.000786 | [
-0.0004541084315361291,
-0.0892946021528851,
0.045657118107478585,
-0.09077158764792825,
0.07367147711571696,
-0.05430243255946801,
-0.08086175597779717,
0.0044301665816788615,
-0.07574180400234785,
-0.0340437392852954,
-0.03793963317661538,
-0.0387809302058428,
-0.005291094870265419,
-0.1... | [
-0.0015799149437822797,
-0.08782452753726998,
0.04739454953178241,
-0.09065041936819442,
0.0744247263583541,
-0.0524523491514409,
-0.08064781238676655,
0.00220889691106971,
-0.0762431274599273,
-0.0349669232350871,
-0.03738170377754381,
-0.036801203979131565,
-0.0036116283723452553,
-0.161... | 8 | 8 | 0.014076 | 0.032616 | 0.009656 | 0.023126 | crystal-diffusers | test_08-25_11-04/epoch=114-step=1840.ckpt |
cd-251023-cfac311bf05d49ab8b3c6b6dbc6e1adc | K2 Na1 N3 O6 | K2 Na1 N3 O6 | P1 | 1 | 0.002995 | 2026-02-23 20:34:46 | 1,064 | 1.774577 | 1.527091 | 1.564675 | 0.247486 | 0.037585 | 0.209901 | 0.247486 | -68.995992 | 0.004677 | 0.00239 | 0.002876 | -69.113754 | 0.047693 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.42989635997405, 0.0124778758864308, -0.1844240539876942], [-2.694365225055945, 5.844107420537451, -2.537737116667401], [-0.1135268702466269, 0.1193510754137717, 6.2063452331105955]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.472324855710422,0.0,-0.08509615418751529],[-2.7835779284750557,6.177152399989616,-2.71565133967379],[0.0,0.0,6.23204284]],"pbc":[true,true,true],"a":5.47298645,"b":7.2993342199999995,"c":6.23204284,"alpha":111.841544,"beta":9... | 0.003314 | 0.004677 | [
-0.01859275496930635,
-0.029584762554624246,
-0.11665929004668524,
-0.13914648538130883,
-0.04176175992759578,
0.0662133515317917,
0.023665653906595956,
0.08796217258144641,
0.022782004291320487,
0.042397233411697745,
0.018567540405002515,
-0.11660681153873616,
-0.0863072463117154,
-0.0379... | [
-0.02227695629655779,
-0.02940284679622393,
-0.11632939768649646,
-0.13188144570221025,
-0.045984727995911606,
0.06591847048405587,
0.02048547524066451,
0.08295188611730354,
0.022575779226201607,
0.04532521671570749,
0.018647311715202893,
-0.10818894879400189,
-0.08821969736202435,
-0.0373... | 7 | 7 | 0.285878 | 0.034702 | 0.283774 | 0.040842 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251201-a0da7b2c31c74cd3900c20bce39462ff | Rb2 N2 O8 | Rb2 N2 O8 | P1 | 1 | 0.002599 | 2026-02-23 12:06:39 | 1,064 | 1.272866 | 1.712788 | 1.257452 | 0.439923 | 0.455336 | 0.015413 | 0.455336 | -67.855485 | 0.228225 | 0.032316 | 0.235556 | -67.954857 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.726635740206676, 0.0003319806721334, 0.5088540007106759], [0.0056690014253366, 5.607350929807452, -0.0214762303328128], [0.4795814546276206, -0.0478355112546238, 8.397750819091451]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6941370036186605,0.0,0.33317650199579935],[0.0029006117832948023,5.608654180391361,0.00660533069459133],[0.0,0.0,9.80338376]],"pbc":[true,true,true],"a":4.70594611,"b":5.60865882,"c":9.80338376,"alpha":89.93252261,"beta":85.9... | 0.165366 | 0.235556 | [
0.04544994441126588,
-0.1071277720247666,
-0.16677918581556817,
-0.15375936377234786,
-0.11536634614341541,
0.09008546918597476,
-0.013964624950231137,
0.13748056119573096,
0.041836240856581296,
0.07952607971592904,
0.005950534159222788,
-0.18334888161384164,
-0.1299424310553523,
-0.081550... | [
0.045481045317688235,
-0.11713511205361223,
-0.17219060566833888,
-0.13024916066117107,
-0.13212631855196313,
0.08901653071033654,
-0.024612320837708423,
0.1339613434266211,
0.047826593508138816,
0.09131646982510289,
0.0015943361407834273,
-0.18319714201949847,
-0.13591943794994465,
-0.083... | 7 | 7 | 0.354313 | 0.06439 | 0.336995 | 0.037361 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-1407679afde84c5db92859074949a0b0 | Li3 B3 O6 | Li3 B3 O6 | P1 | 1 | 0.003526 | 2026-02-23 17:59:44 | 1,064 | 1.689142 | 1.695317 | 1.687543 | 0.006175 | 0.007774 | 0.001599 | 0.007774 | -83.718291 | 0.000858 | 0.000885 | 0.000978 | -83.690369 | 0.015043 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.663726520612223, -0.003098882363066, -0.2063779197780938], [-2.389294627309961, 4.0073106866298644, -0.2090418010494642], [-0.0008431400329305, 0.018531581579233, 5.338105195096042]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.667083163183994,0.0,-0.2124631416035231],[-2.3889941151761716,4.018387748698408,-0.2300098533497782],[0.0,0.0,5.51523301]],"pbc":[true,true,true],"a":4.67191672,"b":4.68055953,"c":5.51523301,"alpha":92.81673669000001,"beta":9... | 0.000907 | 0.000978 | [
-0.06928469741264709,
0.009156945614476041,
-0.014449631460607936,
0.12118457543024534,
0.11120098556952329,
0.02720829162674936,
-0.11562635550846286,
0.0242281368925497,
0.042646557399023476,
0.007883317629765293,
-0.0015936090770962985,
0.01715045802890319,
0.1544643984249991,
-0.085663... | [
-0.06762691837452235,
0.009422791177324086,
-0.014913542890640416,
0.12994439764378893,
0.11222673813837782,
0.028795850609228398,
-0.11883094738702066,
0.024385843492976688,
0.04141628487963538,
0.004970006387634012,
0.00025591244881299535,
0.017275656061693328,
0.1552211649390923,
-0.087... | 4 | 4 | -0.00049 | 0.000377 | 0.001355 | 0.00019 | crystal-diffusers | test_08-25_11-04/epoch=09-step=0160.ckpt |
cd-251023-2071f8aec2844fe5b0c41ebd19f2c60c | Ca2 P2 O6 F2 | Ca2 P2 O6 F2 | P1 | 1 | 0.005343 | 2026-02-23 17:37:05 | 1,064 | 1.669162 | 1.648151 | 1.644537 | 0.021011 | 0.003614 | 0.024625 | 0.024625 | -81.525616 | 0.001048 | 0.001001 | 0.000973 | -81.925842 | 0.018291 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.945398130072169, 0.0070363904270317, 0.2096801624083454], [-0.116695145557459, 4.744501105996074, -0.0556880442571697], [-0.0050208256865234, 0.0018240736188147, 6.93680104652964]], "pbc": [true, true, true], "a": 4.9... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.977041300032946,0.0,0.21559307374346215],[-0.12432503639420028,4.809957275173412,-0.05762544652810022],[0.0,0.0,7.01312601]],"pbc":[true,true,true],"a":4.98170859,"b":4.811908809999999,"c":7.01312601,"alpha":90.68616715999998... | 0.001007 | 0.001048 | [
-0.049526256634852044,
-0.027891920497156233,
-0.02037284182063221,
-0.02133573715312279,
0.04392029194653713,
0.08984213377778301,
-0.08996445787495531,
0.052209989303791206,
-0.01611338540853259,
-0.01980500645478214,
0.04972536867829391,
-0.0003081019784818238,
0.0758657385658151,
-0.11... | [
-0.04980572201463432,
-0.02658546857126902,
-0.02210646837408887,
-0.011895869256223992,
0.04470252765258407,
0.09205052782808475,
-0.09272627188185946,
0.05082033381845796,
-0.015367599242397815,
-0.02112295693942383,
0.052271063837417836,
-0.001215921974151243,
0.07856578355957962,
-0.11... | 8 | 8 | 0.041515 | 0.002498 | 0.041366 | 0.004528 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-89dcf1dd692f4cd38447e821a7366aa1 | B2 P2 O8 | B2 P2 O8 | I-4 | 82 | 0.000002 | 2026-02-23 19:58:57 | 1,064 | 1.672184 | 1.672304 | 1.656412 | 0.00012 | 0.015892 | 0.015772 | 0.015892 | -91.442889 | 0.000777 | 0.000777 | 0.000755 | -91.43515 | 0.012181 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.374924019693908, 0.0008229178455443, 0.0079382819699661], [0.0002403486989857, 4.375858483371613, 3.78226747387e-05], [-0.008414744188641, -0.0005158527606564, 6.702720895339588]], "pbc": [true, true, true], "a": 4.37... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.431200654601276,0.0,0.013510185520097891],[-0.000591167373789052,4.431847524014153,0.0003830960839095122],[0.0,0.0,6.71410937]],"pbc":[true,true,true],"a":4.43122125,"b":4.4318475799999995,"c":6.71410937,"alpha":89.99504726,"... | 0.00077 | 0.000777 | [
0.005459901982090426,
-0.04527608659022379,
-0.005822268709695985,
0.11184697139785175,
0.07267796366965486,
0.1032113455357202,
-0.09347600909083337,
0.13309935072398424,
0.03970767353318102,
-0.02840556370654244,
0.02851142234212491,
0.0486813827319123,
0.0703592421815622,
-0.22378131489... | [
0.01330334725083912,
-0.04993860855187865,
-0.005609229198607715,
0.12400323535531943,
0.07252842955514206,
0.1047869420706829,
-0.09640487483187436,
0.1370125995719142,
0.03991645204661368,
-0.030425229097519473,
0.028341469718661454,
0.045044696672416645,
0.07188866003756038,
-0.22807186... | 4 | 4 | 0.035851 | 0.003675 | 0.033087 | 0.003145 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251029-a2d134be8ebf483c931b141232146e01 | K4 P1 O2 F5 | K8 P2 O4 F10 | Cm | 8 | 0.00446 | 2026-02-23 14:20:51 | 1,064 | 1.41778 | 1.442082 | 1.418873 | 0.024302 | 0.023209 | 0.001093 | 0.024302 | -59.236758 | 0.000564 | 0.000659 | 0.000599 | -59.867676 | 0.015953 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1881741699968575, 0.0082897565316633, 0.0817823275990465], [0.0201518806750966, 5.286702586731579, -1.7235041772807518], [0.0499959259671471, -0.0599748820715894, 8.798712110750415]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.250619592977764,0.0,0.05380349719653778],[0.021311794616435585,5.283773611302643,-1.726801560065176],[0.0,0.0,8.99858841]],"pbc":[true,true,true],"a":5.25089525,"b":5.55882734,"c":8.99858841,"alpha":108.09788471,"beta":89.412... | 0.000607 | 0.000659 | [
-0.05431228924066633,
-0.032498438480810965,
0.04576802993086943,
-0.03870445224815398,
0.07065854749917623,
0.026178484671290494,
-0.0334368723877774,
0.010119191843919066,
-0.013636420791520993,
0.004830198527233691,
0.01720331920810619,
-0.021838794465295432,
0.04562469455336157,
-0.143... | [
-0.05685260150208039,
-0.031235172380924315,
0.045281600490769014,
-0.035266176800848904,
0.07111181701448972,
0.028159891711254742,
-0.035354478081534475,
0.008057507192685234,
-0.013236755243104012,
0.004318900792478794,
0.01799082576573542,
-0.02064481820412038,
0.046290841157318914,
-0... | 8 | 8 | 0.104959 | 0.030347 | 0.07701 | 0.024941 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-e029e212e7624192ad9b516062a323cf | K3 C3 O6 F2 | K3 C3 O6 F2 | P1 | 1 | 0.009538 | 2026-02-24 05:54:32 | 1,064 | 1.446168 | 1.602 | 1.495126 | 0.155832 | 0.106873 | 0.048958 | 0.155832 | -87.406735 | 0.001037 | 0.001654 | 0.001471 | -87.646179 | 0.038373 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.344805661452705, 0.0010494697493791, 0.286067057786885], [-0.0517176657946918, 5.6319476033680065, 0.4512070757752094], [-0.1832896053683732, 0.1147141295735832, 10.238002184062125]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3775346419223276,0.0,0.3699919351809471],[-0.04153149208369678,5.662911370590207,0.39520043837881186],[0.0,0.0,10.4289338]],"pbc":[true,true,true],"a":4.39314279,"b":5.676836569999999,"c":10.4289338,"alpha":86.00805012,"beta"... | 0.001388 | 0.001654 | [
-0.013470341729327914,
-0.027609563738546745,
-0.02510805176218559,
-0.03876495966404335,
0.03170225033947331,
0.07432125817246751,
0.0003409584541504051,
0.04301680271476649,
-0.005744424896049866,
0.04329153719460345,
0.020248589024013015,
-0.06869738829654028,
0.041422996296214945,
-0.0... | [
-0.015293747737972338,
-0.029012858221320055,
-0.023518314720777304,
-0.03588360202407652,
0.030183043143084603,
0.07578135619970804,
-0.0007139331838848081,
0.043440989412394,
-0.006270722203714426,
0.042421074707118346,
0.02028003149816614,
-0.06609188366551841,
0.04092731101111818,
-0.0... | 8 | 8 | 0.112069 | -0.001783 | 0.111977 | -0.001117 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-62969e2b6d6c4644a03151d9c69699b6 | Na1 P3 O6 F2 | Na1 P3 O6 F2 | P1 | 1 | 0.003805 | 2026-02-23 21:20:48 | 1,064 | 1.642042 | 1.58019 | 1.563202 | 0.061852 | 0.016988 | 0.07884 | 0.07884 | -75.944723 | 0.001522 | 0.001234 | 0.001024 | -76.112267 | 0.049512 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.75636507825766, -0.0871989069409835, 0.2743590156089861], [-0.0984327143557911, 4.541067601835411, 0.2777855571799389], [-0.0991058701112633, 0.045714221028476, 6.023337946456643]], "pbc": [true, true, true], "a": 6.7... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.735929174204647,0.0,0.41541150929383347],[-0.03242688692467709,4.602495042814333,0.2769011097306198],[0.0,0.0,6.74935976]],"pbc":[true,true,true],"a":6.74872644,"b":4.610931179999999,"c":6.74935976,"alpha":86.55713436999999,"... | 0.00126 | 0.001522 | [
-0.02197285695171271,
-0.013941145455756877,
0.0008483484543106989,
-0.05349983959979854,
0.05275012626925815,
0.1280883555180465,
-0.08351205313563888,
0.06303887892003666,
-0.008118898531165921,
0.00285653146220353,
0.050673227073848526,
0.02549892184567604,
0.05923606342163579,
-0.19027... | [
-0.020524299230727027,
-0.019651848637148875,
-0.005465572164888306,
-0.02953017313322713,
0.055648450138814275,
0.13177918219136942,
-0.09580919241770051,
0.06641160290339139,
-0.002492080438189175,
0.003028998876345057,
0.051482960196019355,
0.019441116367882233,
0.06210488274107342,
-0.... | 8 | 8 | 0.069656 | -0.001964 | 0.072814 | 0.006522 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251116-dc1bf27d36ad4860b620eaa0524415d2 | Hf5 N6 O1 | Hf10 N12 O2 | Cm | 8 | 0.001483 | 2026-02-23 21:12:15 | 1,064 | 3.340339 | 3.019242 | 2.956621 | 0.321097 | 0.062621 | 0.383718 | 0.383718 | -127.500194 | 0.045459 | 0.040292 | 0.026584 | -127.433853 | 0.005195 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.187586750717007, 0.0003069080664623, 0.0001459047298328], [-1.5933990702338723, 5.309054337428325, 0.0734667303459059], [-3.09864783988e-05, 0.0119682408118864, 9.294875840765657]], "pbc": [true, true, true], "a": 3.1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.2085587962032545,0.0,0.00015609024386278107],[-1.6044006245050368,5.3647663236500085,0.0666076657417254],[0.0,0.0,9.2992888]],"pbc":[true,true,true],"a":3.2085588,"b":5.599933540000001,"c":9.2992888,"alpha":89.31848689000002,... | 0.037445 | 0.045459 | [
0.018577660939545788,
0.04956151666280554,
-0.028708033175411096,
-0.05999724987199103,
0.2654445612568478,
-0.10447759377155395,
-0.15299006895859693,
-0.07230878501047532,
-0.006142959448945107,
-0.0417273259701705,
-0.05004406108283058,
0.04516024482979089,
0.23007901067189576,
0.037725... | [
0.0140764531904371,
0.058720758438859544,
-0.027563200934426643,
-0.061907046529682576,
0.2741425208212787,
-0.10154986091972719,
-0.15335232292298226,
-0.0781773286671255,
-0.010342548006604507,
-0.04268402926942221,
-0.051864951746838216,
0.05011044001200691,
0.23318776429689292,
0.03958... | 2 | 2 | 0.288655 | 0.117248 | 0.297029 | 0.154987 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-a9dc01e095a04cd995d0ca149a3933da | Rb3 C3 O7 F1 | Rb3 C3 O7 F1 | P1 | 1 | 0.00333 | 2026-02-24 05:51:38 | 1,064 | 1.604962 | 1.630798 | 1.606799 | 0.025836 | 0.023999 | 0.001837 | 0.025836 | -90.069118 | 0.001371 | 0.001349 | 0.001245 | -90.088646 | 0.029058 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.747221078121281, -0.001086148569779, -0.4830682430317166], [-2.39597657029636, 5.425877877383891, 0.3678292175877266], [0.0343333060417468, 0.0150003815073261, 7.462410529806417]], "pbc": [true, true, true], "a": 5.76... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.803264373190187,0.0,-0.5186989697602975],[-2.420016553042286,5.4931373437265805,0.3747541086068102],[0.0,0.0,7.60081795]],"pbc":[true,true,true],"a":5.826399060000001,"b":6.01427291,"c":7.60081795,"alpha":86.42754029000001,"b... | 0.001321 | 0.001371 | [
0.015575020519682606,
-0.04545682179612083,
-0.03953281260023907,
-0.03136024460589324,
0.009304999397525274,
0.07209868967950864,
-0.015998464620704235,
0.03300343562359291,
-0.0031535086023180337,
0.034357667808676336,
0.012259714835120925,
-0.09174266855483089,
0.025290021799307307,
-0.... | [
0.015498302999118583,
-0.045422435263104334,
-0.038365388797605385,
-0.025407478591256732,
0.004870497341576201,
0.07501323579671193,
-0.017874266263227374,
0.031146764164885925,
-0.0015701756292147914,
0.035077858237916905,
0.010354482988302922,
-0.0935910924654507,
0.0279018519490567,
-0... | 8 | 8 | 0.191359 | -0.009744 | 0.188769 | -0.006985 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-eb368729986e4a50b74203a9ca92b4c7 | Rb4 S2 O4 F4 | Rb4 S2 O4 F4 | P1 | 1 | 0.001756 | 2026-02-24 07:05:33 | 1,064 | 1.499 | 1.588207 | 1.594773 | 0.089207 | 0.006566 | 0.095773 | 0.095773 | -67.489001 | 0.000834 | 0.001417 | 0.001474 | -68.075821 | 0.03608 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.075975358253291, -0.0546312107699197, 0.5926169400166482], [-0.658460903735437, 7.026038445886365, -3.7478142361090185], [0.2189326660927588, 0.1348574892939529, 10.570477471861274]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.149495732262483,0.0,0.5125612364002549],[-0.4832827163774805,7.153036400010245,-3.8626900865946214],[0.0,0.0,10.6658183]],"pbc":[true,true,true],"a":4.18103263,"b":8.14370104,"c":10.6658183,"alpha":118.31484325000001,"beta":8... | 0.001241 | 0.001474 | [
-0.010484847028410852,
0.00012206264933841455,
0.017081433003950576,
-0.12322496683945842,
0.05802499500716112,
0.07209314231488806,
-0.0788072186504197,
0.026181169975991007,
-0.06626751882160847,
-0.02034903900674231,
-0.003888500746614343,
-0.045024030631229,
-0.02400170676692943,
-0.13... | [
-0.012573389982493525,
0.0010562839992809933,
0.016508452734827088,
-0.11885090055582319,
0.05852383734716139,
0.07657447760858872,
-0.08208713942086855,
0.02302357466069343,
-0.06569329096985281,
-0.020515450338769652,
-0.0035889199323690716,
-0.04428957709878782,
-0.023022300698706716,
-... | 8 | 8 | 0.084852 | -0.003867 | 0.068571 | -0.007887 | crystal-diffusers | test_08-25_11-04/epoch=24-step=0400.ckpt |
cd-251023-aeda12c1362a40e8b6d67b6320e8a563 | K7 Ba2 F10 | K7 Ba2 F10 | P1 | 1 | 0.00454 | 2026-02-24 08:06:12 | 1,064 | 2.202198 | 2.380381 | 1.949374 | 0.178183 | 0.431007 | 0.252824 | 0.431007 | -82.9186 | 0.553061 | 0.969698 | 0.335646 | -84.66053 | 0.048531 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.811475003767771, -0.0081546509031997, 0.5486073898455692], [-0.2640381696328286, 7.241985267098825, 0.4746718767047676], [0.1287265379164042, 0.0119784876147177, 7.3899338797906875]], "pbc": [true, true, true], "a": 7... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.846836800100235,0.0,0.4095836869406707],[-0.2659741947089141,7.296812311613116,0.46479153179670335],[0.0,0.0,7.35602142]],"pbc":[true,true,true],"a":7.857519110000001,"b":7.316436520000001,"c":7.35602142,"alpha":86.35771625,"... | 0.619468 | 0.969698 | [
-0.062116292903760174,
-0.058537101220927396,
0.09633046012571371,
-0.04935584619148189,
0.09450489635606374,
-0.052467978023086524,
0.00008739238464589527,
-0.009022563946455175,
-0.04115520761727469,
-0.018617834429455533,
-0.022671924787977197,
-0.05154863167328796,
0.07315221596957465,
... | [
-0.06295960594314759,
-0.057457876534672714,
0.09503696435356902,
-0.04846042280157131,
0.09419174224877788,
-0.051677976226018794,
-0.0003311592116862019,
-0.010412014266404451,
-0.040296104608918075,
-0.017016622613311785,
-0.022306239942876088,
-0.050930283699312906,
0.07186298046784899,
... | 8 | 8 | 0.310589 | 0.139201 | 0.324209 | 0.153388 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-703505ec1c99418588dcabda9600d538 | Li4 B3 O6 F1 | Li4 B3 O6 F1 | Pm | 6 | 0.006022 | 2026-02-24 07:26:14 | 1,064 | 1.538376 | 1.637254 | 1.687869 | 0.098878 | 0.050615 | 0.149493 | 0.149493 | -92.77363 | 0.000715 | 0.001038 | 0.001244 | -92.739532 | 0.008071 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1431798550634173, -0.0006626925913647, 0.0130043819330583], [0.0146035749009404, 4.321380763237062, -1.0393942499466615], [0.0062969788138872, -0.0074501816729771, 9.856325750839623]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.2320312017482364,0.0,0.0110934579779683],[0.016612948853690346,4.348718287542752,-1.0465242250153441],[0.0,0.0,9.95499073]],"pbc":[true,true,true],"a":3.23205024,"b":4.47290059,"c":9.95499073,"alpha":103.53091129,"beta":89.80... | 0.000999 | 0.001244 | [
-0.08522273288728244,
-0.006948201275036718,
-0.0027721479177701255,
0.052833213887478504,
0.10571674890512699,
0.022987512877726192,
-0.06554528738935353,
0.028793851275315332,
0.01584480771796514,
0.025500890735894836,
0.004917295877376541,
0.020553962402149382,
0.12689457422639136,
-0.0... | [
-0.08348808464837357,
-0.00556191364036913,
-0.0039000104204348113,
0.06369772858389354,
0.10738728911597943,
0.02450943429134845,
-0.06829985204832198,
0.029306427644411454,
0.017230288668994755,
0.024880307428155928,
0.008257239978490727,
0.02345729699702106,
0.12893865093672205,
-0.0763... | 4 | 4 | 0.129349 | 0.002303 | 0.128272 | 0.002788 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-480c5f17b96642369be9227bc65433b2 | Na6 P1 O4 F3 | Na6 P1 O4 F3 | P1 | 1 | 0.003912 | 2026-02-24 09:42:52 | 1,064 | 1.4994 | 1.488288 | 1.484419 | 0.011112 | 0.003869 | 0.014981 | 0.014981 | -72.016433 | 0.000867 | 0.00084 | 0.000808 | -71.810692 | 0.015769 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.474951038197992, -0.0277116483436143, -0.805844196015131], [-2.067038439569695, 4.308739100460037, -0.1027671195048432], [0.0141566597881724, 0.0430060055764019, 7.254666103823797]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.612188636587911,0.0,-0.8405004415569736],[-2.099437650283838,4.41149913266356,-0.12795957912803677],[0.0,0.0,7.46989126]],"pbc":[true,true,true],"a":5.674777729999999,"b":4.8872627,"c":7.46989126,"alpha":91.50030440000002,"be... | 0.000838 | 0.000867 | [
-0.10156562532951392,
-0.00921532158153355,
0.06340364684328235,
-0.0031898980835973157,
0.06491123445554516,
-0.0016519916724750474,
-0.020824329813993236,
0.03856553813821293,
-0.023289577631410565,
-0.004019561284790714,
-0.00013583883671394587,
-0.017316622640499334,
0.09125687795405453,... | [
-0.10883127464038862,
-0.004266562655124579,
0.05912871311316931,
0.007442826875695702,
0.07318720770657146,
-0.0002492926204106744,
-0.02331398312810543,
0.031071051273720337,
-0.020607572576543103,
-0.00045736809737268944,
0.0038281681065570994,
-0.008522386282431292,
0.09945172583812814,
... | 8 | 8 | 0.043197 | 0.001722 | 0.034724 | 0.004626 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-40aace03c25b4875bfb65480ef1ea1ca | K3 C3 O7 | K3 C3 O7 | P1 | 1 | 0.00701 | 2026-02-23 23:56:42 | 1,064 | 1.86205 | 1.753774 | 1.763227 | 0.108276 | 0.009454 | 0.098822 | 0.108276 | -84.800468 | 0.105019 | 0.082593 | 0.067603 | -85.333328 | 0.036449 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.890706332929942, 0.0168380188135625, 0.4757729636817081], [-2.9896856761681425, 6.005923793742638, -0.3258093558994631], [0.0130555338036185, -0.0750321249396885, 6.522112575369461]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.9389706215945965,0.0,0.47459046897855994],[-3.0362916820441224,6.327610278638187,-0.2542617080753114],[0.0,0.0,6.6733884]],"pbc":[true,true,true],"a":5.957902999999999,"b":7.022988540000001,"c":6.6733884,"alpha":92.0748015,"b... | 0.085072 | 0.105019 | [
-0.017053584934256984,
-0.020675166573598143,
-0.04437036432496782,
-0.025726200739327805,
0.016531389633453106,
0.028909289171617614,
-0.03398044557519934,
0.04870827517953557,
0.016320638792705955,
0.05122525410722807,
-0.0011171750288224542,
-0.06707905071978004,
0.029609471242823013,
-... | [
-0.01901813537459642,
-0.02279513568922766,
-0.04394807498906317,
-0.01846987203541955,
0.01580808251145497,
0.0339516760656504,
-0.034851839168473536,
0.04713419975351845,
0.015470667825813769,
0.04959198906390512,
-0.0006826568621642576,
-0.06456976816643104,
0.029951413227196355,
-0.025... | 8 | 8 | 0.240457 | 0.026584 | 0.235528 | 0.031455 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-3d5e504bfb67424eb02736a32bdd753d | K3 Rb4 Nb1 O3 F8 | K3 Rb4 Nb1 O3 F8 | P1 | 1 | 0.004933 | 2026-02-24 09:31:42 | 1,064 | 1.551548 | 1.560577 | 1.541331 | 0.009029 | 0.019246 | 0.010217 | 0.019246 | -94.344917 | 0.001257 | 0.00125 | 0.001038 | -94.492889 | 0.030507 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.389473211841932, -0.0001699160427902, 1.4914244671955348], [-2.065720399469583, 7.161353686177108, -3.310537864082886], [-0.0185893426914273, 0.0840617089541188, 10.374810839940107]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.506894372602708,0.0,1.527624329671268],[-2.099407122128428,7.154655866814353,-3.4303249740807047],[0.0,0.0,10.55813772]],"pbc":[true,true,true],"a":5.71485098,"b":8.20754167,"c":10.55813772,"alpha":114.70509877000002,"beta":7... | 0.001181 | 0.001257 | [
-0.035206075607677245,
-0.05112456789679822,
0.038608581676000384,
-0.07810528739264208,
0.05447396178073385,
0.010485081998023943,
-0.01672253398693362,
0.021139988196211,
-0.01940623138366802,
-0.0015918706004117364,
-0.016833618737021022,
-0.0896583261494341,
0.01584212788487742,
-0.140... | [
-0.03797319124761636,
-0.04802001501198745,
0.041247098740913014,
-0.0780556563942776,
0.055859805030481095,
0.01403630325419389,
-0.016878594788418425,
0.018028084608417393,
-0.018952326964101145,
-0.00267102927862798,
-0.017048898772618053,
-0.08992205580947811,
0.0194143109539572,
-0.13... | 8 | 8 | 0.089925 | 0.00733 | 0.053914 | 0.004085 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-f488aa7fb69447758d9fd5db1590473b | K3 Rb1 P2 O5 F2 | K3 Rb1 P2 O5 F2 | P1 | 1 | 0.007418 | 2026-02-23 23:54:12 | 1,064 | 1.55968 | 1.552289 | 1.532547 | 0.007391 | 0.019742 | 0.027133 | 0.027133 | -72.58821 | 0.001443 | 0.001482 | 0.001305 | -72.890907 | 0.025879 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.093234401738928, -0.030988286850665, 0.8923199188508302], [-3.1208425291946753, 5.035116984324892, -1.6814137995781755], [0.1460665708842215, 0.0429620523114545, 9.066827578125983]], "pbc": [true, true, true], "a": 6.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.139092486840658,0.0,0.8049226903926273],[-3.0950203676644135,5.089809189949155,-1.6777660870028095],[0.0,0.0,9.18689616]],"pbc":[true,true,true],"a":6.1916360599999996,"b":6.18871616,"c":9.18689616,"alpha":105.72978314,"beta"... | 0.00141 | 0.001482 | [
-0.03431543278157656,
-0.022803289280779213,
0.030309224625937506,
-0.08439578728973547,
0.06905683421411386,
0.0545620285218889,
-0.0621257138452717,
0.01955179845173816,
-0.014254630694126642,
0.0059311303586743105,
0.022536609739285614,
-0.05297333284345444,
0.06636814376306298,
-0.1375... | [
-0.037086320341266694,
-0.02215723695427629,
0.02969819354956085,
-0.08156397787950548,
0.06907790650685125,
0.0569789424951834,
-0.06357299247265906,
0.01951915097608131,
-0.015824916693866563,
0.004810164187824819,
0.02302222742845659,
-0.052035966750429624,
0.067358532313476,
-0.1363432... | 8 | 8 | 0.080848 | 0.059907 | 0.058219 | 0.049108 | crystal-diffusers | test_08-25_11-04/epoch=119-step=1920.ckpt |
cd-251023-aa2ba3968bae4e8e8f5e2f7538fd8110 | K2 P2 O3 F6 | K2 P2 O3 F6 | P1 | 1 | 0.005325 | 2026-02-24 01:09:58 | 1,064 | 1.46024 | 1.474653 | 1.431014 | 0.014413 | 0.043639 | 0.029226 | 0.043639 | -71.257878 | 0.000582 | 0.00061 | 0.000489 | -71.895157 | 0.0519 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.849270610925009, 0.0180632199182585, 1.3742013075491895], [-0.3711253944612223, 5.413358803668439, 0.1567633588163996], [-0.0561282813067373, 0.101351986270183, 8.198921810470319]], "pbc": [true, true, true], "a": 5.0... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.796786488067067,0.0,1.496303247949855],[-0.36599987328045525,5.497393815152481,0.09600301925472911],[0.0,0.0,8.7258293]],"pbc":[true,true,true],"a":5.02474716,"b":5.510400280000001,"c":8.7258293,"alpha":89.00173384000001,"bet... | 0.000561 | 0.00061 | [
-0.03759174847181433,
-0.0317087184306244,
0.018806966311940287,
-0.026012297040562158,
0.05602015064053541,
0.10466032819593106,
-0.05945820157156296,
0.02530870946405727,
0.020043773492216546,
0.022121021275860166,
0.04043399129013735,
0.011316577334795084,
0.05384802475641915,
-0.173799... | [
-0.03667991803907559,
-0.034602511142386355,
0.012667474810625011,
-0.01082449560835257,
0.05490659136663201,
0.10841455158483347,
-0.06567549292961448,
0.02835505826426018,
0.02351317151891388,
0.022833475087553075,
0.04213101933237114,
0.009358655983347848,
0.053862993149300056,
-0.17330... | 8 | 8 | 0.065496 | 0.005105 | 0.058187 | 0.008247 | crystal-diffusers | test_08-25_11-04/epoch=249-step=4000.ckpt |
cd-251116-bca65d2f26014245bc67413379ecd63d | Li5 C4 N1 O9 | Li5 C4 N1 O9 | P1 | 1 | 0.0056 | 2026-02-24 04:23:34 | 1,064 | 1.466493 | 1.681488 | 1.726616 | 0.214996 | 0.045128 | 0.260124 | 0.260124 | -128.885976 | 0.000648 | 0.001546 | 0.001738 | -128.933121 | 0.032828 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.232650514798939, -0.048594980770069, 0.2927267291083508], [-1.2754084229039562, 7.1201100242509705, -2.8915008342878115], [0.0369872160079865, 0.0589589435846503, 9.48875782236994]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.3072234060853214,0.0,0.28326114160966165],[-1.1803485909427118,7.231033286441329,-2.965234594871675],[0.0,0.0,9.59853493]],"pbc":[true,true,true],"a":3.3193317899999997,"b":7.90402944,"c":9.59853493,"alpha":112.03388083000002... | 0.001311 | 0.001738 | [
-0.030777509665484742,
0.006531237524901021,
-0.04154724478517905,
0.005115381069175263,
0.022245638821627164,
-0.002568534854542004,
-0.017710746065202235,
0.04418055404059459,
-0.014143103660696531,
0.015738140654322382,
-0.011950842911982904,
0.0011958139303235261,
0.09355347006763653,
... | [
-0.028756760011722483,
0.004298088221968319,
-0.04040359319230158,
0.014018023345867867,
0.02081598033339824,
-0.0028389234722176735,
-0.019463001665375554,
0.04537891760057929,
-0.012981138319608829,
0.01573615953816753,
-0.011753117128877385,
0.0012122620377724846,
0.09511414905693283,
-... | 8 | 8 | 0.178209 | -0.014694 | 0.175244 | -0.013929 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251112-f929e523c4634b22b40fe302d6a18b9c | Rb3 N3 O7 | Rb3 N3 O7 | P1 | 1 | 0.002292 | 2026-02-24 01:02:12 | 1,064 | 1.632056 | 1.582468 | 1.762445 | 0.049588 | 0.179977 | 0.130389 | 0.179977 | -74.654665 | 0.002512 | 0.001959 | 0.003433 | -74.7621 | 0.053729 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.4170487913464695, 0.1378756737664916, -0.4565098862575975], [-3.6021908123676467, 4.82450367135766, 0.6908954354112962], [0.071035202332312, -0.1995644113410616, 7.459290930154117]], "pbc": [true, true, true], "a": 6.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.841357895343103,0.0,-0.5187100632947048],[-3.9434360142827996,5.016430694295612,0.8576789210966936],[0.0,0.0,7.39756135]],"pbc":[true,true,true],"a":6.86099395,"b":6.4382356000000005,"c":7.39756135,"alpha":82.34450127,"beta":... | 0.002635 | 0.003433 | [
0.060948966918987116,
-0.05533883496217053,
-0.15015047907825488,
-0.1678756383790335,
-0.04363286063172852,
0.07130998942185804,
-0.029244862013869728,
0.064218273954348,
0.031941161145346245,
0.04638682826741785,
0.01494428561317825,
-0.16379309954162985,
-0.08127972756993534,
-0.0488563... | [
0.06131910358391527,
-0.05223331204901081,
-0.15062870669920375,
-0.15746696484073253,
-0.04978705772462729,
0.07309555747974611,
-0.0325356820423995,
0.058731418726908714,
0.033081947949331454,
0.05083938370716944,
0.01452077970248571,
-0.16135721568189018,
-0.08282777893478223,
-0.047467... | 7 | 7 | 0.24246 | -0.001221 | 0.23012 | 0.001528 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-54424505a2014819a02cc4c869df5c62 | K3 Rb3 F7 | K3 Rb3 F7 | P1 | 1 | 0.001782 | 2026-02-24 01:03:56 | 1,064 | 1.227144 | 1.207845 | 1.208041 | 0.0193 | 0.000196 | 0.019103 | 0.0193 | -50.651285 | 0.034389 | 0.038581 | 0.038244 | -51.721542 | 0.010078 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.524539905338283, -0.0122192197483441, 0.0040371489820188], [0.0254983213292948, 6.988706497600702, -3.7921958256631756], [0.0054965656586286, 0.060279424702104, 8.126753273211863]], "pbc": [true, true, true], "a": 5.5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.598374562294629,0.0,0.0002937262383046475],[0.04420581016634895,7.047389925699739,-3.8516463939055297],[0.0,0.0,8.14226733]],"pbc":[true,true,true],"a":5.59837457,"b":8.03136594,"c":8.14226733,"alpha":118.65768138999998,"beta... | 0.037071 | 0.038581 | [
-0.022322523626101487,
-0.05718923509822786,
0.06055376246885561,
-0.049298366380183374,
0.044960592118615125,
-0.05849156683627697,
-0.03114653600052107,
0.00893218258761384,
-0.03233618583812871,
-0.017273198635673944,
-0.024256556914262865,
-0.03415372519768383,
0.01880508328809823,
-0.... | [
-0.02353992391375131,
-0.05628748296161971,
0.0617266441231273,
-0.04893560993524633,
0.044944046003880196,
-0.05694232651781212,
-0.0314337162395638,
0.007622974635695099,
-0.032127084418914514,
-0.01772410292610996,
-0.023825581363234035,
-0.0328602256268062,
0.019940766539793615,
-0.149... | 8 | 8 | 0.213585 | 0.051715 | 0.177801 | 0.040425 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-399364035a4d4c728bd683cb81b99ae8 | K2 Rb6 F6 | K2 Rb6 F6 | P1 | 1 | 0.008076 | 2026-02-24 10:12:58 | 1,064 | 1.380294 | 1.543676 | 2.438021 | 0.163382 | 0.894344 | 1.057726 | 1.057726 | -49.316931 | 0.026697 | 0.606248 | 1.563728 | -49.838947 | 0.057839 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8906480017692995, 0.0013063097740895, -0.0877642763557135], [0.0051306175570974, 7.8809114987196764, -0.3834627076730808], [-0.0068602540902552, -0.3575615606384591, 15.082272094320501]], "pbc": [true, true, true], "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.002842797594483,0.0,-0.08750892465668908],[0.006784228650969508,8.068524303069468,-0.19714011459002764],[0.0,0.0,15.34134837]],"pbc":[true,true,true],"a":4.00379923,"b":8.07093518,"c":15.34134837,"alpha":91.39964202,"beta":91... | 0.732224 | 1.563728 | [
0.008808414137300699,
-0.06896509674275515,
0.06493947107690944,
-0.08789855444769135,
0.07759659604257137,
-0.06487328633744555,
-0.024783753399524655,
-0.0312317262510807,
-0.05742688973179556,
-0.026735960032918307,
-0.016440475219572516,
-0.09548063496806732,
0.04468158030649087,
-0.15... | [
0.007187524082834601,
-0.06676317565622193,
0.0670071195066553,
-0.08811074492440049,
0.07794008546550404,
-0.06219960277316315,
-0.024430799414609048,
-0.03338593867664816,
-0.05763493478337455,
-0.027034831633307242,
-0.015638406850675583,
-0.09350827733231651,
0.046038506342262794,
-0.1... | 8 | 8 | 1.042181 | 0.58902 | 1.015545 | 0.563 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251109-62c1740181fb417fb9c3ae9d7c1f766c | Na2 Au1 I4 O12 | Na2 Au1 I4 O12 | P1 | 1 | 0.005522 | 2026-02-24 07:32:44 | 1,064 | 2.10723 | 2.100466 | 2.101441 | 0.006764 | 0.000975 | 0.005789 | 0.006764 | -80.260376 | 0.153353 | 0.285056 | 0.179591 | -80.714775 | 0.060113 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.034451341147079, 0.0745932269515586, 0.1758110199847501], [-2.8480029967127347, 4.784220997588374, -2.010617421944438], [-0.1263918439440705, 0.0208757805550886, 11.889753322299415]], "pbc": [true, true, true], "a": 6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.076497377775676,0.0,0.24533328668904564],[-2.9486761043768897,4.884816667742733,-2.1048233322643743],[0.0,0.0,12.21274234]],"pbc":[true,true,true],"a":6.08144792,"b":6.081644999999999,"c":12.21274234,"alpha":110.24861688,"bet... | 0.206 | 0.285056 | [
0.0042446952801040725,
-0.09911534433739042,
0.13392456236755845,
-0.09916101404269792,
-0.12354423096730537,
0.0728160328277971,
-0.052621488329356716,
0.05361982086711261,
-0.04676335849128156,
0.026673722715592943,
-0.06616483717530632,
-0.2260205960995295,
-0.043952945433287816,
-0.092... | [
0.0036544703312829897,
-0.10339555901498526,
0.13171709540489107,
-0.09227301328313456,
-0.1227243082473126,
0.07556000172408409,
-0.05954047067707919,
0.05189738768310818,
-0.04356002435090174,
0.02891790884675825,
-0.06441461197263357,
-0.2258979638236776,
-0.045814924700673144,
-0.09243... | 7 | 7 | 0.235292 | 0.047379 | 0.24019 | 0.046744 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-cfb88b762aaa42c1989d007ea5110740 | Rb5 Nb1 O3 F5 | Rb5 Nb1 O3 F5 | P1 | 1 | 0.008733 | 2026-02-24 08:39:45 | 1,064 | 1.19489 | 1.565245 | 1.544658 | 0.370355 | 0.020587 | 0.349768 | 0.370355 | -73.17237 | 0.307183 | 0.029868 | 0.150227 | -73.222649 | 0.035722 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.952597317525046, 0.0058036040210927, 0.0192974501902318], [0.0194459778063324, 6.636023872062753, -3.5253509302701516], [-0.0073512641069517, 0.1416355874133566, 12.107920083412795]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.06499087421742,0.0,0.021620429430358856],[0.008101994340289789,6.9142770326968215,-3.576124924373758],[0.0,0.0,12.00152196]],"pbc":[true,true,true],"a":4.06504837,"b":7.78434082,"c":12.00152196,"alpha":117.34838703,"beta":89.... | 0.162426 | 0.307183 | [
-0.013993413378698341,
-0.04332124927768661,
0.03147841789266156,
-0.09056901881286215,
0.041737193204762775,
-0.0361842747431898,
-0.04090417388038058,
0.013132682287970817,
-0.02381890003005101,
-0.02462556150252105,
-0.028766301342226207,
-0.08502091107399741,
0.018057280012581032,
-0.1... | [
-0.01707238250741216,
-0.04095749596640225,
0.03358379280641753,
-0.08933266707178748,
0.04448048405856274,
-0.02959925381975755,
-0.04338047710637398,
0.008431876749762366,
-0.024514406882442774,
-0.026025470524173828,
-0.02796118131105066,
-0.08455562332921211,
0.020789746968904812,
-0.1... | 8 | 8 | 0.116447 | 0.012143 | 0.061225 | 0.013319 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251116-c9d589e09a3340a78df84f76d9655de7 | Rb5 Sb1 O2 F4 | Rb5 Sb1 O2 F4 | Pm | 6 | 0.005873 | 2026-02-23 22:36:46 | 1,064 | 2.077312 | 1.848901 | 1.701385 | 0.22841 | 0.147517 | 0.375927 | 0.375927 | -52.334521 | 0.048211 | 0.041673 | 0.003291 | -52.8946 | 0.01478 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7500498996806075, 4.9466539919e-05, -0.0010508235274228], [0.0001190290418762, 4.158785525389534, 0.0094083270922473], [-0.0021160809767853, 0.1154627405860681, 17.2407193065758]], "pbc": [true, true, true], "a": 3.75... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.780324041293519,0.0,-0.0006068381710006007],[0.00006118778593462596,4.19616661888066,-0.01782528596597347],[0.0,0.0,17.78121811]],"pbc":[true,true,true],"a":3.78032409,"b":4.19620448,"c":17.78121811,"alpha":90.24339060000001,... | 0.031059 | 0.048211 | [
0.0213280880865879,
-0.059399127963630845,
0.056584762685038696,
-0.10979931325839352,
0.08521552922295805,
-0.034116448986233956,
-0.06763155246412426,
-0.013855975844443343,
-0.06204789625260106,
-0.048256611112358294,
-0.028777049645670794,
-0.10248762016088005,
0.028414411085625164,
-0... | [
0.02000894423919392,
-0.057109999382808585,
0.05898070690743292,
-0.10928649033500253,
0.08721570313382222,
-0.027733476858519585,
-0.0698296844457222,
-0.018789061280757607,
-0.06459062989086517,
-0.049510025760135856,
-0.028361282163577802,
-0.10151946834374588,
0.031152518705955996,
-0.... | 8 | 8 | 0.255216 | 0.019017 | 0.15939 | 0.005702 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-0164d0b232fb40afa961ea20d68a0a47 | Ca3 B5 O9 F2 | Ca3 B5 O9 F2 | P1 | 1 | 0.008449 | 2026-02-23 22:44:51 | 1,064 | 1.694463 | 1.708831 | 1.719187 | 0.014368 | 0.010356 | 0.024724 | 0.024724 | -138.813651 | 0.002243 | 0.002136 | 0.002239 | -138.892639 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.620395208138535, 0.0920329405600674, -0.7938076030212221], [-1.1156283636640185, 5.443167758711259, -0.399323929631716], [-0.4696449027543352, 0.4042309862821721, 9.093278549586111]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.859731354395959,0.0,-0.5862298331157763],[-1.357555996346523,5.4743220902328575,-0.725080071060527],[0.0,0.0,9.50360101]],"pbc":[true,true,true],"a":4.89496213,"b":5.68655447,"c":9.50360101,"alpha":97.32560145,"beta":96.87835... | 0.002206 | 0.002243 | [
-0.07224066618090037,
-0.02155622578662456,
0.004311556429364744,
0.02338512999213165,
0.11457359525105022,
0.06344145080696445,
-0.09011501808874854,
0.017279955491151886,
0.009823008873025132,
0.012472350015381706,
0.02732830326184248,
-0.023494161728023277,
0.15152020561455354,
-0.08622... | [
-0.07510168818874174,
-0.025253247479344237,
0.00005347618568978805,
0.044444868731987976,
0.11168716179622616,
0.06774788686308676,
-0.09509634263542976,
0.02162260623357467,
0.015888323214651622,
0.011199594321731182,
0.028067431784909346,
-0.016901445959676513,
0.1492244440203531,
-0.08... | 4 | 4 | 0.17197 | 0.003991 | 0.145166 | 0.002392 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251126-9aa583d5db4e4204a18a4119f1cfe7b9 | Tl4 P2 O8 | Tl4 P2 O8 | P1 | 1 | 0.003305 | 2026-02-24 04:30:26 | 1,064 | 1.885044 | 1.873784 | 2.178996 | 0.01126 | 0.305213 | 0.293953 | 0.305213 | -80.689938 | 0.360124 | 0.350521 | 0.442635 | -81.229774 | 0.036035 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.149158414522125, 0.0200776242155649, 1.9118491283965298], [-1.9051571992158929, 4.886885245925736, -1.4386397063151015], [-0.0274395012875018, 0.0172476355602517, 11.01004910504712]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.235333770057603,0.0,1.9345472571828208],[-1.9553561616590633,4.934727143819367,-1.4585571352025577],[0.0,0.0,11.06240711]],"pbc":[true,true,true],"a":5.58132536,"b":5.504756,"c":11.06240711,"alpha":105.36475935,"beta":69.7198... | 0.384427 | 0.442635 | [
-0.030884274718098455,
-0.017356863604139162,
0.008402243184367102,
-0.12317286234258491,
-0.007532252525133961,
-0.008993757442471753,
-0.09431477252838043,
0.03460700451162785,
-0.011134898777697414,
-0.016603081165393614,
0.008651664843848996,
-0.08886853342170402,
-0.030087821163495482,
... | [
-0.028974232928109283,
-0.017526029677693393,
0.005501930188425273,
-0.11799968536963552,
-0.008262698622260858,
-0.008350434392444607,
-0.09821378213531463,
0.03456960553105736,
-0.009532950377146604,
-0.013376308170674844,
0.008872845533437937,
-0.09030465116279428,
-0.03372585429455678,
... | 8 | 8 | 0.029492 | 0.049586 | 0.030956 | 0.060365 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-20e22efce9634fe6ab192b9ebc92384d | K4 P2 O7 F1 | K4 P2 O7 F1 | P1 | 1 | 0.003639 | 2026-02-24 04:31:42 | 1,064 | 1.680929 | 1.682563 | 1.591945 | 0.001634 | 0.090618 | 0.088984 | 0.090618 | -82.347791 | 0.040275 | 0.043802 | 0.050881 | -82.7061 | 0.022344 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.019609487250112, 0.0150008967773781, -0.0048203657724144], [-2.8408933211696263, 5.1045392942096495, 0.0751693751454686], [0.0420856784705593, 0.0172615284585428, 7.901643333874516]], "pbc": [true, true, true], "a": 6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.076261637911225,0.0,-0.03712977906494587],[-2.8808331936755014,5.150198422831471,0.08004019529124164],[0.0,0.0,7.99037774]],"pbc":[true,true,true],"a":6.076375080000001,"b":5.901707390000001,"c":7.99037774,"alpha":89.22291878... | 0.044986 | 0.050881 | [
-0.04414968779132541,
-0.022426648254399936,
0.010303017562322969,
-0.03579788180772986,
0.03599173776261984,
0.018877594542413684,
-0.07267625791370547,
0.029172964248605153,
-0.00008578937562262408,
0.02252674561884177,
0.031222459462247824,
-0.03710011144185649,
0.0295337468897992,
-0.1... | [
-0.04726304861618202,
-0.02234934523624551,
0.009864229354593763,
-0.031649412424204555,
0.03571368539815285,
0.02100717765742779,
-0.0736909685152052,
0.028681313045827418,
-0.0007696816057676288,
0.02125578106716264,
0.03205116487252868,
-0.03463348648049748,
0.030289292450940412,
-0.127... | 8 | 8 | 0.228755 | 0.083279 | 0.239273 | 0.090228 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-9dd3b0f009f048efbadc2e0b4092e73a | P4 N5 O3 | P4 N5 O3 | P1 | 1 | 0.00969 | 2026-02-23 21:45:18 | 1,064 | 1.867283 | 1.816033 | 1.980851 | 0.05125 | 0.164818 | 0.113569 | 0.164818 | -87.586955 | 0.999072 | 0.229731 | 0.334174 | -87.71785 | 0.032062 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.919279121779926, -0.0365630635125244, 0.0522269028753029], [-0.3751028199529257, 4.7907531696018335, 0.2220546660507031], [-0.0449816205125784, 0.0454513847843631, 6.630976851341093]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.929136886287159,0.0,0.08634429034519064],[-0.33776948891011815,4.834461915284155,0.18767911041486415],[0.0,0.0,6.67499856]],"pbc":[true,true,true],"a":4.929893079999999,"b":4.84987976,"c":6.67499856,"alpha":87.78223232,"beta"... | 0.520993 | 0.999072 | [
-0.07510576949848759,
-0.012853494270945958,
-0.025312310282885008,
-0.0991188335200886,
0.02038180306100838,
0.029198579572973216,
-0.06162493082805275,
0.023900321937483066,
0.028801198662846222,
-0.02232325366457394,
0.0464765579574764,
0.13222801432740047,
0.02659021026573699,
-0.19401... | [
-0.07206422737912281,
-0.015118777167609279,
-0.025346221621739107,
-0.09484644915957625,
0.018762626246473613,
0.031075804484316277,
-0.06305742135885105,
0.02364816497179705,
0.029551703392919116,
-0.020786350803476007,
0.04657298566083783,
0.129737523251749,
0.02639142088939655,
-0.1953... | 8 | 8 | 0.143666 | 0.524405 | 0.144865 | 0.517444 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-f0c38501d85a41f0a5906bcecb5d7df0 | K2 B4 O7 | K4 B8 O14 | C2/m | 12 | 0.008928 | 2026-02-24 00:52:55 | 1,064 | 1.594648 | 1.596998 | 1.665504 | 0.00235 | 0.068506 | 0.070856 | 0.070856 | -93.219283 | 0.001129 | 0.001127 | 0.001531 | -93.30777 | 0.052344 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.383109800322611, -0.1704807407572359, 0.7429131326400644], [-0.0530786772094598, 4.385171130189132, 0.748125656541143], [-0.3089064977846563, -0.3040620664788843, 9.161688365973179]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.555707426658905,0.0,0.9165937705795486],[0.12181474241568262,4.5519903111775895,0.9235968703273127],[0.0,0.0,9.43404112]],"pbc":[true,true,true],"a":4.64700057,"b":4.64634112,"c":9.43404112,"alpha":78.53440963,"beta":78.62414... | 0.001262 | 0.001531 | [
-0.07542484025371973,
-0.05230941578328685,
0.01316494519797398,
0.03527283648250455,
0.10750801627476568,
0.059842621456428234,
-0.0535906814005808,
0.052322747292448894,
0.03322016286062965,
0.04837922475087118,
0.019990094242563032,
-0.012594048951741595,
0.09242613682587567,
-0.1159667... | [
-0.06716557610062579,
-0.05886900550496843,
0.014700696018550995,
0.05874729086027763,
0.106526452691688,
0.06526409609213618,
-0.0608212899020043,
0.054988136700880416,
0.032893574815278236,
0.04439155483166378,
0.02151201528847925,
-0.013188557976844496,
0.09596889405263072,
-0.124207711... | 4 | 4 | 0.028285 | 0.003588 | 0.028961 | 0.005628 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-75f933a9b5b1499c9929136b847098b2 | K2 Rb3 B1 F8 | K2 Rb3 B1 F8 | P1 | 1 | 0.003422 | 2026-02-24 07:31:16 | 1,064 | 1.41711 | 1.41591 | 1.415451 | 0.0012 | 0.000459 | 0.001659 | 0.001659 | -65.018819 | 0.000494 | 0.000494 | 0.000495 | -65.821198 | 0.014134 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.099828588095331, -0.0066032578345926, 0.8603965819379271], [-1.8520181653786816, 6.277553031829957, -1.2640757005547825], [0.0231625543849773, 0.0256994084500088, 11.07765133214939]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.108472741120321,0.0,0.8623984274520352],[-1.8408455735017881,6.359110920162334,-1.2905057424483284],[0.0,0.0,11.21469866]],"pbc":[true,true,true],"a":4.198008970000001,"b":6.74480609,"c":11.21469866,"alpha":101.030602,"beta":... | 0.000494 | 0.000495 | [
-0.029195190210035176,
-0.03610559679903411,
0.04728078118344253,
-0.027559978681549448,
0.10392791012899526,
0.008318074241978097,
-0.05908747907814573,
-0.011409515049413904,
-0.00492849044269197,
-0.011020951960828012,
-0.010781599192647871,
-0.03960233552333999,
0.07317511870726882,
-0... | [
-0.030639278911388294,
-0.034762204491878425,
0.04772662936357652,
-0.02572871857388818,
0.10470182717643103,
0.01050696008427417,
-0.060357005687050116,
-0.01309026679806571,
-0.005332739058093232,
-0.012386019547583378,
-0.010429102384527317,
-0.038942581145889124,
0.07449786477148602,
-... | 4 | 4 | 0.003743 | 0.012007 | -0.001295 | 0.00834 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251104-98e9a2349be74cc498761dd596d27ec0 | Na3 C3 N1 O6 | Na3 C3 N1 O6 | P1 | 1 | 0.00969 | 2026-02-23 23:48:27 | 1,064 | 1.395278 | 1.488188 | 1.738251 | 0.09291 | 0.250063 | 0.342972 | 0.342972 | -86.747102 | 0.000932 | 0.001512 | 0.003854 | -86.570641 | 0.028249 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.038592095263965, 0.0643727754474505, 0.038576170830723], [-1.142445238569981, 4.53139797529338, 0.1174752532644071], [0.0425951842487732, 0.0830444014073239, 11.489444971986735]], "pbc": [true, true, true], "a": 4.039... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.2564900037901685,0.0,0.022673117199047677],[-1.2748142182940232,4.5364123734915305,0.08850981900120786],[0.0,0.0,11.4110416]],"pbc":[true,true,true],"a":4.25655039,"b":4.712963239999999,"c":11.4110416,"alpha":88.92391751,"bet... | 0.002099 | 0.003854 | [
-0.04893758611650734,
-0.017427622244587077,
-0.018487372172570345,
-0.02802878688051736,
0.0130533135640936,
0.033478728926680974,
0.03457020825471353,
0.07783985440147151,
0.0025474135365561174,
0.025634850589897642,
-0.004007738030338658,
-0.010157082064971727,
0.05170708488599375,
-0.0... | [
-0.05275418215960613,
-0.01655968982761596,
-0.016393304051648287,
-0.026952849588443017,
0.016754899065070286,
0.032160285087063395,
0.033303887499412564,
0.07234969700013284,
0.0012543187287723202,
0.02474522361048353,
-0.004486616520898749,
-0.0034563203208657217,
0.053196769775320736,
... | 8 | 8 | 0.233319 | 0.016693 | 0.236799 | 0.00846 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-f6261270365b4447aad7cdb459d2cc4b | Nb2 P2 O10 | Nb2 P2 O10 | P-4m2 | 115 | 0.002439 | 2026-02-24 05:34:51 | 1,064 | 2.294589 | 2.148542 | 2.148262 | 0.146047 | 0.000279 | 0.146327 | 0.146327 | -115.38726 | 0.006232 | 0.005608 | 0.005586 | -114.09211 | 0.006229 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.036827601012309, -0.0007701083721642, 0.0006795147386769], [0.0028688043474933, 6.481279130696617, -0.0003913703148716], [-0.0018560143413855, -0.0001122279160295, 6.480618167135859]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.112376347435546,0.0,0.0018642661572429622],[0.004165268823063991,6.529600025477001,-0.0002798932324763518],[0.0,0.0,6.52757966]],"pbc":[true,true,true],"a":4.11237677,"b":6.52960136,"c":6.52757966,"alpha":90.00245599999998,"b... | 0.005809 | 0.006232 | [
-0.00998586876464004,
-0.01180845973990768,
-0.014554688796034177,
-0.007557140763517952,
0.064235478460513,
0.07182590594654402,
-0.05826078842893313,
0.1329578716154853,
0.02243757889576736,
-0.03914889646665099,
0.029063365666421814,
-0.03950809127728233,
0.02388487173334312,
-0.1444536... | [
-0.009589078270146776,
-0.010380285807094432,
-0.006566766160240283,
-0.00017719872789655696,
0.06542240624507041,
0.0784360494481855,
-0.05927216031241034,
0.13189927094487558,
0.020025667702297634,
-0.04338284966897266,
0.03237633609381284,
-0.044110905364446805,
0.03144567544284364,
-0.... | 8 | 8 | 0.115133 | 0.006179 | 0.130404 | 0.012366 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251119-a17b28765f90430ba1a86f5c136ca84f | Na3 C2 N2 O7 | Na3 C2 N2 O7 | Pm | 6 | 0.00797 | 2026-02-24 05:13:25 | 1,064 | 1.407252 | 1.996105 | 1.946527 | 0.588853 | 0.049578 | 0.539275 | 0.588853 | -90.708805 | 0.007603 | 0.063524 | 0.076598 | -90.654343 | 0.029789 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4545444662284885, 0.0012425893352926, 0.0056092027819387], [0.0036623035059608, 5.429024835285227, 0.6275069350345586], [0.0110485210757848, -0.0143239642185672, 9.825904697278347]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5801056578178896,0.0,0.0017793587459886593],[0.001068498399503011,5.454210049318652,0.6516565860977965],[0.0,0.0,10.08273235]],"pbc":[true,true,true],"a":3.5801061,"b":5.49300143,"c":10.08273235,"alpha":83.18672813000002,"bet... | 0.049242 | 0.076598 | [
-0.056696507923399926,
-0.03803447893433164,
-0.04446783608517572,
0.010508067614747627,
-0.023264597071057474,
0.03228996395565459,
0.027804475290883233,
0.0841097491928701,
0.008746933444184831,
0.05597283178754201,
0.0003047105324071518,
-0.026556974452886035,
-0.01773822573170113,
-0.0... | [
-0.057122978684429816,
-0.042211555860557186,
-0.04268532020296866,
0.020010280059655893,
-0.026701457201215608,
0.030408708993295824,
0.023918261193015735,
0.08090864654472554,
0.010549584710429367,
0.058724271987736554,
-0.0008878300146083083,
-0.02050589451505164,
-0.015222574924579556,
... | 8 | 8 | 0.589146 | 0.050449 | 0.612255 | 0.038631 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-063d7f09d14d496893cc9765deef6c66 | Ag2 S2 O8 | Ag4 S4 O16 | Cmcm | 63 | 0.001279 | 2026-02-23 21:45:04 | 1,064 | 2.158223 | 2.449494 | 2.037826 | 0.29127 | 0.411667 | 0.120397 | 0.411667 | -64.14792 | 0.52022 | 0.793674 | 0.390686 | -64.362152 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.181979069451684, 0.2453678216704533, -0.0008270061113825], [-1.2215650936410392, 5.039683271301275, 0.0013841939276029], [0.0004872816101024, -0.0002019108425464, 6.594228382896342]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.534195268381744,0.0,-0.0012519928841253744],[-1.5559302882226251,5.30810759693158,0.0016816119327271698],[0.0,0.0,6.65649213]],"pbc":[true,true,true],"a":5.53419541,"b":5.531449010000001,"c":6.65649213,"alpha":89.98258155,"be... | 0.568193 | 0.793674 | [
-0.01285698253534176,
0.006186339053011858,
0.002355530135112069,
0.016009486570689953,
-0.10597816542880462,
0.061470250788140286,
-0.09947071179892963,
0.0961593949180597,
-0.004113799151592742,
-0.005597108975453395,
-0.00505037836324448,
-0.09134046178213796,
-0.12045510656674081,
-0.1... | [
-0.011669220820608598,
-0.0021222638137716244,
0.0005467049924473335,
0.05025131829266638,
-0.11338569669308263,
0.06927073836818205,
-0.11222143511472023,
0.11196438806807983,
0.0017351363985650345,
-0.004607085092486358,
-0.006335195364740341,
-0.10019443048415644,
-0.12429732654988117,
... | 8 | 8 | 0.404039 | 0.478427 | 0.423861 | 0.517105 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-e5fe21d2e8b448cb82bce419bfabd59d | Rb5 P1 O4 F3 | Rb10 P2 O8 F6 | Cm | 8 | 0.004128 | 2026-02-24 01:11:38 | 1,064 | 1.699795 | 1.703998 | 1.691025 | 0.004202 | 0.012973 | 0.00877 | 0.012973 | -64.95081 | 0.052006 | 0.06564 | 0.065315 | -65.379303 | 0.022707 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.625313353207902, -0.0186464831084785, 0.0116522842109223], [0.0207270753234484, 5.372729347003239, -1.7494971907572439], [-0.0896835966188715, -0.0229369914507499, 9.062512484537969]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.721611860559504,0.0,0.06824793169954976],[0.021451802771488313,5.406409998873619,-1.764066624199264],[0.0,0.0,9.2100004]],"pbc":[true,true,true],"a":5.72201888,"b":5.68697286,"c":9.2100004,"alpha":108.07094092,"beta":89.31660... | 0.060987 | 0.06564 | [
0.011761105928655454,
-0.0425172450041074,
0.027245163226081368,
-0.07960747527715696,
0.04715843110170508,
-0.027267330961900038,
-0.08025005503776976,
-0.0053302084776778854,
-0.02891358718929243,
-0.017687093974556575,
-0.003724913615354963,
-0.06359672618389964,
0.024824089664256983,
-... | [
0.009676364605801359,
-0.04065230469980867,
0.02838436722476149,
-0.0768552043305949,
0.048181544796544025,
-0.023054738819639205,
-0.08148311683326435,
-0.008371899357601683,
-0.03001345489736057,
-0.018910398181777272,
-0.002943336865341881,
-0.06166145278430876,
0.026973601211020666,
-0... | 8 | 8 | 0.116431 | 0.092164 | 0.129103 | 0.09905 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-f7c8ba9622444333941b8ee00dcd6deb | K2 P2 O5 F3 | K2 P2 O5 F3 | Pm | 6 | 0.007216 | 2026-02-23 21:40:42 | 1,064 | 1.437744 | 1.670062 | 1.709152 | 0.232317 | 0.03909 | 0.271408 | 0.271408 | -70.387702 | 0.010398 | 0.066375 | 0.103443 | -70.681999 | 0.02034 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.72548904428185, 0.0124403667013797, 0.1625384185791284], [-0.0207967621516535, 5.868327114044259, -0.0045349241849909], [0.0473274250414872, -0.0042859325937501, 7.58422412949811]], "pbc": [true, true, true], "a": 4.7... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.768809196552401,0.0,0.13497214107252622],[-0.03659179558607207,5.888429669339707,-0.0010724012449307154],[0.0,0.0,7.69020255]],"pbc":[true,true,true],"a":4.77071888,"b":5.88854346,"c":7.69020255,"alpha":90.01043451,"beta":88.... | 0.060072 | 0.103443 | [
-0.04472607095608683,
-0.024872391579339445,
0.003009006590558572,
-0.015411030219686067,
0.01995177297332197,
0.06567182509268372,
-0.06504095212250775,
0.055365542962737276,
0.013284780488677171,
0.01436686254497442,
0.042068981805904036,
0.024628199342988415,
0.016216440150422905,
-0.15... | [
-0.04574524980547041,
-0.026037273198506905,
0.0012497944465778195,
-0.00976511033137017,
0.018839747658943435,
0.06725390975754049,
-0.06691184911534953,
0.0565532619212327,
0.014167851420910546,
0.014090541572956793,
0.04298144946750975,
0.024698246516160042,
0.016169254158084796,
-0.154... | 8 | 8 | 0.215103 | 0.122632 | 0.223395 | 0.129609 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251121-c13bd8fcc9ff45cd8f373eba3290a19e | K1 B5 O8 | K1 B5 O8 | P1 | 1 | 0.005204 | 2026-02-24 08:39:33 | 1,064 | 1.562498 | 1.60025 | 1.628957 | 0.037752 | 0.028707 | 0.066459 | 0.066459 | -106.96535 | 0.000896 | 0.001156 | 0.001166 | -106.851364 | 0.032794 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.332082853975422, -0.0605436529857653, -0.4057912264318114], [-1.4881231827325172, 6.303684520762756, -0.7352184647074722], [0.1160488418357549, -0.0353836311875633, 6.565844849331196]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.357476187623654,0.0,-0.4902235715663196],[-1.389530202055504,6.364025430792409,-0.6891977039312758],[0.0,0.0,6.68275851]],"pbc":[true,true,true],"a":4.38496498,"b":6.5503135299999995,"c":6.68275851,"alpha":96.03961064,"beta":... | 0.001073 | 0.001166 | [
-0.04409797490765307,
-0.057616991164394435,
0.006548020315593789,
0.06379529859323686,
0.10912387334649634,
0.06843084882531994,
-0.08163101280464882,
0.057688711797910984,
0.055713873817068084,
0.0516293182216202,
0.02613846078054759,
0.005280698925637131,
0.12044251699715258,
-0.1234287... | [
-0.04017488252163352,
-0.06006010755532493,
0.007226893391455112,
0.07254224573742486,
0.10875381178002162,
0.06931378114630284,
-0.08567575635779323,
0.058292656098026537,
0.05558721043373932,
0.05056898422843351,
0.027097501427089294,
0.004089899244590869,
0.1228380880824819,
-0.12686605... | 4 | 4 | 0.097911 | 0.00494 | 0.106886 | 0.005397 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-31d09c23cd4245ceae08e8d78e7dce62 | K1 P4 O7 F2 | K1 P4 O7 F2 | P1 | 1 | 0.007847 | 2026-02-24 05:46:28 | 1,064 | 1.541009 | 1.554737 | 1.517335 | 0.013728 | 0.037402 | 0.023674 | 0.037402 | -87.459769 | 0.002888 | 0.002573 | 0.002142 | -88.324883 | 0.087208 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.8344432615884445, -0.0417687738923102, -3.454683953626694], [-1.3233721913270924, 4.479092038561986, 0.0720583940880312], [0.3852814363432893, 0.1174302035698103, 10.043661668987879]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.446869344896772,0.0,-3.919302259409316],[-1.4085413525088157,4.411529086263816,0.07346440075757858],[0.0,0.0,10.55234654]],"pbc":[true,true,true],"a":8.41527143,"b":4.63151969,"c":10.55234654,"alpha":89.09114569,"beta":117.75... | 0.002534 | 0.002888 | [
-0.0005082821684053926,
-0.0042738613842569105,
-0.011344178994712548,
-0.10219718339973034,
0.08935001746876255,
0.1671417589595834,
-0.09580019906030668,
0.03751589098441377,
-0.02396327025869834,
0.008669600004807902,
0.059981000911762006,
0.009198515337744883,
0.08860224338016884,
-0.1... | [
-0.013531405550913408,
-0.007952970160128279,
-0.011216734974272955,
-0.08075426491566393,
0.059541763888982004,
0.1592922417330806,
-0.08544347812226487,
0.05612792378194791,
-0.008962181488619549,
0.014016508325982948,
0.060132595352522314,
0.019058913979695693,
0.0653421207792281,
-0.19... | 8 | 8 | 0.07966 | 0.021437 | 0.070423 | 0.010713 | crystal-diffusers | test_08-25_11-04/epoch=254-step=4080.ckpt |
cd-251023-699297173aad48bd9a343e7bb30d67ae | K6 F6 | K4 F4 | Fm-3m | 225 | 0.000018 | 2026-02-23 21:01:58 | 1,064 | 1.436767 | 1.436732 | 1.43802 | 0.000035 | 0.001287 | 0.001252 | 0.001287 | -49.778475 | 0.000522 | 0.000522 | 0.000556 | -50.592941 | 0.000042 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8035081960149846, -4.65812586246e-05, -7.21985698774e-05], [2.05497036974e-05, 3.8042766317419368, 0.0001179261264706], [-0.0004246205842114, 0.0002224514682718, 16.153270093319104]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.831913149897825,0.0,0.000027983052062601303],[0.00006761308533962921,3.831973578836547,0.00006591747581370561],[0.0,0.0,16.26336847]],"pbc":[true,true,true],"a":3.83191315,"b":3.8319735800000005,"c":16.26336847,"alpha":89.999... | 0.000533 | 0.000556 | [
-0.063017497343802,
-0.048332368517379265,
0.07763449760806625,
-0.02353734406634264,
0.08029043232342259,
-0.059402691743053466,
-0.015003563463394749,
-0.0011402178664474266,
-0.02642312599931723,
-0.0065827618941410315,
-0.01313595720116388,
-0.045354766287849874,
0.045724131653217905,
... | [
-0.06527518881426335,
-0.046502198492552625,
0.07950464389437352,
-0.022707739143540715,
0.08053384440266283,
-0.05845198067681836,
-0.014284948585827567,
-0.003315449822344036,
-0.026558094984038702,
-0.007486674775142209,
-0.012193899217604354,
-0.042141619512732036,
0.04695713776590957,
... | 8 | 8 | 0.001643 | -0.002001 | -0.003118 | -0.004955 | crystal-diffusers | test_08-25_11-04/epoch=214-step=3440.ckpt |
cd-251023-7a82c6d6d96245aa8bc39f6248306aa7 | Na8 C2 O6 F3 | Na8 C2 O6 F3 | Pm | 6 | 0.009821 | 2026-02-24 06:20:23 | 1,064 | 1.392332 | 1.571104 | 1.62135 | 0.178772 | 0.050247 | 0.229018 | 0.229018 | -98.285901 | 0.083601 | 0.201164 | 0.711321 | -98.025406 | 0.027876 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4132125182885007, -0.0025056431640926, -0.0084153889574028], [-0.0032344858223543, 5.1132405891092, -1.859558227345154], [-0.0103463673474081, 0.0173256814742988, 14.789457342573629]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5223652451418688,0.0,-0.006204714543559128],[-0.000822767102013973,5.179979695396427,-1.9174717418010505],[0.0,0.0,15.20429526]],"pbc":[true,true,true],"a":3.52237071,"b":5.52348515,"c":15.20429526,"alpha":110.31302735,"beta"... | 0.332029 | 0.711321 | [
-0.08930488277543927,
-0.015928402732812527,
0.045326991349400804,
-0.007198119342065677,
0.03398309581945619,
0.0030428849898940804,
0.009014568683570196,
0.053469330940846285,
-0.012047759642810275,
0.01702634888737626,
-0.014388529861609276,
-0.03571270486778369,
0.08015935978355003,
-0... | [
-0.09350231197514604,
-0.01214263428330836,
0.043802604047102144,
0.000008523091245168632,
0.03786754809829764,
0.0027695683101403483,
0.0064013980820634905,
0.047240997109239784,
-0.008882612291995981,
0.020013104428728057,
-0.013395304875820871,
-0.027800107579293937,
0.0849293565780997,
... | 8 | 8 | 0.172376 | 0.005722 | 0.105785 | -0.007664 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-f757f889822f4e61845fef88f1f7b747 | K3 C3 O8 | K3 C3 O8 | P1 | 1 | 0.001801 | 2026-02-24 06:09:35 | 1,064 | 1.820893 | 1.859159 | 1.451785 | 0.038266 | 0.407374 | 0.369108 | 0.407374 | -92.154294 | 0.049509 | 0.046607 | 0.008954 | -92.329453 | 0.030445 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.755634370014686, -0.0176341605528968, -0.9263539217172361], [-2.8563327175773057, 4.9298514257638235, 0.7040542517726245], [0.0170954299834297, -0.0526019870309706, 8.840981051739293]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.721933785198611,0.0,-1.0029213861365174],[-2.8203218033307196,4.910401512793749,0.7879722862069727],[0.0,0.0,9.45416595]],"pbc":[true,true,true],"a":5.80916324,"b":5.717268439999999,"c":9.45416595,"alpha":82.07809572,"beta":9... | 0.035023 | 0.049509 | [
-0.026355169054167845,
-0.04029864834268478,
-0.0360197945992597,
-0.011232220028829858,
-0.022073245361749195,
0.03855641355609377,
-0.005423088003716882,
0.07092074547140984,
0.01691303642816961,
0.05306614169276367,
0.008475586372453667,
-0.07545930320678848,
0.022071143972191353,
-0.05... | [
-0.027189807624780744,
-0.042873326953474934,
-0.035710509494593354,
-0.004436161451670776,
-0.024300963762251684,
0.03965014631126085,
-0.007215361742151659,
0.06932784668549419,
0.0175929654647002,
0.0536826853406666,
0.008159466897722569,
-0.07461120996277294,
0.022091928313669653,
-0.0... | 8 | 8 | 0.302693 | 0.048493 | 0.304746 | 0.051022 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-7cc96dc98ad740c0a7fe8246cec785b4 | Na5 P2 O7 | Na5 P2 O7 | P1 | 1 | 0.008544 | 2026-02-24 09:13:46 | 1,064 | 1.597123 | 1.607795 | 1.562915 | 0.010671 | 0.04488 | 0.034208 | 0.04488 | -80.94769 | 0.001847 | 0.001835 | 0.001824 | -80.670029 | 0.022147 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.539274911369069, -0.0506331566056123, 0.0517140056849456], [-0.5503302847518309, 5.402586216936543, 0.2114686091801378], [0.0249950758447245, 0.096336718259554, 6.636158468031742]], "pbc": [true, true, true], "a": 5.5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.6485775074812805,0.0,0.0316433746470104],[-0.5110636431407721,5.508920159240831,0.1390338725811162],[0.0,0.0,6.81213849]],"pbc":[true,true,true],"a":5.648666139999999,"b":5.5343218,"c":6.81213849,"alpha":88.56045734999998,"be... | 0.001835 | 0.001847 | [
-0.09472559849868792,
-0.01261892095199357,
0.048349089437609086,
-0.04890228038689339,
0.05427402730183046,
0.03271486907754805,
-0.04021730833167284,
0.059535387561496754,
-0.02797976512953756,
0.001037041507287296,
0.013665482392105174,
-0.021678175508484394,
0.08493917887291515,
-0.124... | [
-0.10264076635481414,
-0.010719629035468537,
0.04503489143493733,
-0.0401636589348215,
0.062098694274581194,
0.03527890242548781,
-0.04184247994177299,
0.05409792241200578,
-0.028297783143572775,
0.0025556705036335636,
0.017411829903169238,
-0.012106004792001437,
0.08881716655950676,
-0.12... | 8 | 8 | 0.030824 | 0.002895 | 0.037035 | 0.004621 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-40096ec0f4714e3c99c95b6760346a46 | K4 Se2 O8 | K4 Se2 O8 | I-42m | 121 | 0.001993 | 2026-02-24 09:21:13 | 1,064 | 1.539416 | 1.539384 | 1.546998 | 0.000032 | 0.007614 | 0.007582 | 0.007614 | -70.194288 | 0.001397 | 0.001397 | 0.00139 | -70.432968 | 0.005708 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.2156021432440625, -0.0764853314383059, 0.0434694257779469], [-0.024183456598009, 6.216594068275312, 0.0164423507217469], [-0.0202242142539392, -0.007579691764543, 8.92141836708448]], "pbc": [true, true, true], "a": 6.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.27717882002876,0.0,0.05771909907664698],[0.05268423815995464,6.266327475805539,0.021830931905330798],[0.0,0.0,8.94810685]],"pbc":[true,true,true],"a":6.27744418,"b":6.26658697,"c":8.94810685,"alpha":89.80039808,"beta":89.4731... | 0.001394 | 0.001397 | [
-0.03237349125146542,
-0.07537316885537217,
0.10726152347257685,
-0.1109580587980455,
-0.10368153429477049,
0.07112317246770526,
-0.05253173979856174,
0.06519890084547632,
-0.03330659010368194,
0.03858434404076997,
-0.008886706377381629,
-0.17969649457257678,
-0.02832227689176464,
-0.10476... | [
-0.03452069882676113,
-0.07550496694064741,
0.1075752010514217,
-0.10962743960279978,
-0.10315977503459868,
0.07259862549434057,
-0.05315250174126275,
0.06399169171139693,
-0.0344318366498056,
0.03821811097329199,
-0.008440825657193202,
-0.177849178878957,
-0.028122912611503143,
-0.1045550... | 7 | 7 | 0.056405 | 0.001616 | 0.050738 | -0.002348 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251027-caa919f3c5ab41219085de445d9e5eeb | Na3 N3 O8 | Na3 N3 O8 | P1 | 1 | 0.001664 | 2026-02-24 09:08:38 | 1,064 | 1.548517 | 1.720788 | 1.779892 | 0.172271 | 0.059104 | 0.231376 | 0.231376 | -81.473024 | 0.001905 | 0.0034 | 0.004073 | -81.37468 | 0.028851 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.682615962165543, 0.0631044418572466, 0.7686444365286892], [-1.3052520975247683, 3.938090288466603, 0.4692421441613175], [-0.0990328422785769, 0.1308480755146391, 12.21930128186907]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.785848072460071,0.0,0.8154024398783016],[-1.3965405147395957,4.073813055734949,0.42358568616069675],[0.0,0.0,12.47241414]],"pbc":[true,true,true],"a":3.87266404,"b":4.327320539999999,"c":12.47241414,"alpha":84.38252897000001,... | 0.003126 | 0.004073 | [
-0.0020796462054042983,
-0.06478862233812549,
-0.13545461515680662,
-0.08368691228453669,
-0.0983595256377097,
0.05535658390819633,
-0.012368078917415723,
0.13133057878142224,
0.038646487086906545,
0.0771384896316696,
-0.003355095579029629,
-0.12475052434716845,
-0.07668752052275356,
-0.07... | [
-0.004504780660094237,
-0.06792583907008856,
-0.13527824785701784,
-0.06972326019337047,
-0.1033386950665454,
0.04789194577410317,
-0.017055672981594636,
0.12592483628952622,
0.04000821211951618,
0.0845638674351625,
-0.007137009497168191,
-0.12006344278166571,
-0.07553637743443589,
-0.0812... | 7 | 7 | 0.304451 | 0.061978 | 0.303428 | 0.094032 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=204-step=3895.ckpt |
cd-251023-b17f7c9dca7c4dceb842a1f4e7807fea | K2 Ca2 C2 O6 F2 | K2 Ca2 C2 O6 F2 | Pm | 6 | 0.004921 | 2026-02-24 08:44:21 | 1,064 | 1.647878 | 1.550742 | 1.598656 | 0.097136 | 0.047914 | 0.049222 | 0.097136 | -90.9295 | 0.001365 | 0.000871 | 0.001032 | -91.283379 | 0.011166 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.173032718218791, -0.0006758743939374, -0.0013059185623595], [-0.006646578642203, 5.781164533437728, -1.0926323416035306], [0.0030705564024312, -0.0085202418897509, 7.123622604775849]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.2305763718151015,0.0,-0.0035551382850760828],[-0.005473380021386022,5.860904137580521,-1.0923499044589893],[0.0,0.0,7.16761593]],"pbc":[true,true,true],"a":5.23057758,"b":5.961833239999999,"c":7.16761593,"alpha":100.55759525,... | 0.001089 | 0.001365 | [
-0.03447475865060158,
-0.014474560009510784,
-0.029844730851953574,
-0.015640126795055238,
0.026053982590162554,
0.03616946184617612,
-0.059752220132074714,
0.022524616075650764,
-0.019092984280508856,
0.020262297453192246,
-0.001421516069500205,
-0.07800151096148132,
0.08783792931658987,
... | [
-0.035454530889977486,
-0.012536633683490422,
-0.03006916110578513,
-0.011254502873980634,
0.025440218546308162,
0.03839270359798412,
-0.059121304374946664,
0.021110190209416187,
-0.019385241520021773,
0.020329009786385875,
-0.000549934793712774,
-0.07521136728245982,
0.08926200465071274,
... | 8 | 8 | 0.110787 | 0.001344 | 0.110172 | -0.00301 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251027-ec7776d0d6804ccfa09976aecb82c360 | Na5 N4 O10 | Na5 N4 O10 | P1 | 1 | 0.003486 | 2026-02-23 22:50:47 | 1,064 | 1.395978 | 1.624304 | 1.695303 | 0.228326 | 0.070999 | 0.299325 | 0.299325 | -105.922934 | 0.007378 | 0.016222 | 0.012299 | -106.126984 | 0.067577 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.306650460229488, 0.0526322617654281, 0.4217470085691645], [0.7593694713511557, 7.839794399757183, 0.7771972901782804], [-0.0246760976378495, -0.0548181965909621, 10.824843970058371]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.317483909696825,0.0,0.45573682229043894],[0.6262935830440298,7.999301857280064,0.8681295030760207],[0.0,0.0,11.48101132]],"pbc":[true,true,true],"a":3.34864085,"b":8.070608569999997,"c":11.48101132,"alpha":83.82492909000001,"... | 0.011966 | 0.016222 | [
-0.017184752794497483,
-0.04203547482328378,
-0.1034845914586711,
-0.11349245367739443,
-0.06530716640059935,
0.05882158976512917,
-0.007125195314304532,
0.09942589934525783,
0.02177830520877231,
0.05894252132701071,
0.001193312465961145,
-0.12318106897516852,
-0.04341539377970188,
-0.0724... | [
-0.0239790151064229,
-0.043114187921807025,
-0.10462928549166287,
-0.10634941941514359,
-0.06803036863460986,
0.05094299987079198,
-0.008125680680544322,
0.0937771479592205,
0.028485875226761704,
0.061510474056595286,
-0.003655851213648953,
-0.11168415681494147,
-0.04649409028097786,
-0.07... | 7 | 7 | 0.267654 | 0.384416 | 0.253809 | 0.39326 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=239-step=4560.ckpt |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.