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cd-251119-113cba76ac2d42c8889b2772360a2f50 | Cs4 Ga2 Ge2 As4 | Cs4 Ga2 Ge2 As4 | Pmn2_1 | 31 | null | 2026-01-22 13:32:37 | 1,064 | 3.54464 | 3.398596 | 3.133746 | 0.146044 | 0.264849 | 0.410894 | 0.410894 | -41.061672 | 0.384411 | 0.497044 | 0.520256 | -41.799477 | 0.056456 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.178898717621437, -0.006157527046978, -0.0014676298454405], [0.0134248332492627, 8.165190628563314, 0.0221778941311519], [7.1906170633e-05, -0.030712371024867, 11.872795482868842]], "pbc": [true, true, true], "a": 4.17... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.097126594286521,0.0,-0.001503085539841026],[0.025398047261806393,8.297788437509222,0.0441312356056725],[0.0,0.0,11.89593321]],"pbc":[true,true,true],"a":4.09712687,"b":8.29794466,"c":11.89593321,"alpha":89.69528050999999,"bet... | 0.467237 | 0.520256 | [
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-0.0309... | 1 | 1 | 0.40402 | 0.419625 | 0.443393 | 0.418973 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251207-9a3bfecc4de04c4d90c91b868323b9f3 | Mo9 W3 | Mo9 W3 | Pmm2 | 25 | 0.000092 | 2026-01-22 14:28:47 | 1,064 | 5.015627 | 3.494227 | 2.982904 | 1.5214 | 0.511323 | 2.032723 | 2.032723 | -137.598981 | 4.752527 | 3.463599 | 4.353024 | -136.569885 | 0.002888 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1277769939237423, 0.000150533287194, 0.0001172466536144], [-6.79919474162e-05, 6.253079852395804, -0.0001828585098952], [8.2778629506e-06, 8.79666634232e-05, 9.386822618007777]], "pbc": [true, true, true], "a": 3.1277... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1750953378792532,0.0,0.00011604803110118006],[-0.0003744889723530064,6.349227254239768,-0.0002447214547776398],[0.0,0.0,9.52323414]],"pbc":[true,true,true],"a":3.17509534,"b":6.349227269999999,"c":9.52323414,"alpha":90.002208... | 4.189717 | 4.752527 | [
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0.4910726011... | 6 | 6 | 0.917647 | 2.192886 | 0.987135 | 2.319164 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=214-step=8385.ckpt |
cd-251119-b08ae76e3dcf4803ba455d87113bb033 | Ta4 Te8 | Ta4 Te8 | Pmn2_1 | 31 | -0.000939 | 2026-01-22 13:07:33 | 1,064 | 4.693473 | 4.147213 | 3.846926 | 0.54626 | 0.300287 | 0.846547 | 0.846547 | -76.458832 | 1.939044 | 1.150122 | 1.984702 | -76.796143 | 0.05251 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4830416941908804, 7.38806152923e-05, 0.001279272133864], [2.13429615872e-05, 6.673690760543851, -0.0110636474642497], [-0.0044494349090498, 0.0131859453765333, 13.31372914296658]], "pbc": [true, true, true], "a": 3.48... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.618250244821929,0.0,0.002601426040268501],[-0.00009941479024054286,6.6479193584175995,-0.018887541627765923],[0.0,0.0,14.34462516]],"pbc":[true,true,true],"a":3.61825118,"b":6.647946189999999,"c":14.34462516,"alpha":90.162783... | 1.691289 | 1.984702 | [
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0.11956767... | 6 | 6 | 1.523498 | 1.958914 | 1.315962 | 2.202436 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-23a6b846ed4a46c8a1f0f42ff8cd5c4f | K4 Te4 | K4 Te4 | Pnnm | 58 | -0.002213 | 2026-01-22 12:41:43 | 1,064 | 2.618497 | 2.10139 | 2.998269 | 0.517106 | 0.896878 | 0.379772 | 0.896878 | -22.990228 | 0.238171 | 0.10267 | 0.166179 | -23.796965 | 0.093014 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1136006680992665, -0.0006188389019608, 0.0027504751043746], [-0.0006890803455951, 4.946971081981726, 0.0037231100764055], [-0.0028141471305343, -0.0059357085175844, 12.800157713966648]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.322638528776433,0.0,0.003997617171045695],[-0.00011597516454413475,4.883251692923713,0.005991555832304194],[0.0,0.0,12.99107804]],"pbc":[true,true,true],"a":5.32264003,"b":4.88325537,"c":12.99107804,"alpha":89.92970039,"beta"... | 0.169007 | 0.238171 | [
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0.0142... | 1 | 1 | 0.560629 | 0.252007 | 0.593875 | 0.24898 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251207-2699f44cbef64efebc9c2a0a33488b6a | Li2 Nb6 N8 | Li2 Nb6 N8 | Pmc2_1 | 26 | -0.001149 | 2026-01-22 13:57:00 | 1,064 | 3.751285 | 4.195905 | 4.842665 | 0.44462 | 0.64676 | 1.09138 | 1.09138 | -149.19635 | 2.271462 | 1.755426 | 1.470172 | -147.166718 | 0.010359 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.267782373536173, -0.0004923604832055, -0.0007752284624633], [0.0006849091888952, 5.172232592292184, 7.56480194201e-05], [0.0007014246398353, -3.66278612325e-05, 5.960647544420933]], "pbc": [true, true, true], "a": 5.2... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.342459291499546,0.0,-0.0014191941493439401],[0.0011848101171715272,5.237130564839553,0.00010922826895681735],[0.0,0.0,6.0619771]],"pbc":[true,true,true],"a":5.34245948,"b":5.2371307,"c":6.0619771,"alpha":89.99880501000001,"be... | 1.832353 | 2.271462 | [
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0.0867... | 6 | 6 | 1.464779 | 1.657084 | 1.961251 | 1.677898 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=659-step=25740.ckpt |
cd-251023-3c89ef673bb44987bdea50cb67af17f2 | Ba2 Ge2 Se6 | Ba2 Ge2 Se6 | Pmc2_1 | 26 | 0.000046 | 2026-01-22 14:00:34 | 1,064 | 3.009988 | 2.795526 | 3.586959 | 0.214462 | 0.791433 | 0.576971 | 0.791433 | -43.743705 | 0.068771 | 0.038275 | 0.096823 | -44.206261 | 0.015661 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.180858731799226, -0.0007338865969847, 0.0054761366478513], [0.0013620827085853, 6.339013498539169, -0.0133278793632197], [-0.0052306054186449, 0.0074660070271906, 7.309061378778747]], "pbc": [true, true, true], "a": 6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.327598985834753,0.0,0.009995113122711998],[0.0021659339541200105,6.497391801156474,-0.019822588541833046],[0.0,0.0,7.31335111]],"pbc":[true,true,true],"a":6.32760688,"b":6.4974224,"c":7.31335111,"alpha":90.17480045999999,"bet... | 0.067956 | 0.096823 | [
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0.0542... | 1 | 1 | 0.509953 | 0.186316 | 0.694677 | 0.191678 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-0cb53ee9a5c04e3792d021f4c7238729 | Rb4 Tl2 Sb6 | Rb4 Tl2 Sb6 | Pmc2_1 | 26 | 0.000072 | 2026-01-22 14:07:16 | 1,064 | 3.403866 | 3.042046 | 3.043926 | 0.36182 | 0.00188 | 0.35994 | 0.36182 | -36.456072 | 2.752327 | 1.012148 | 1.216094 | -36.868927 | 0.079709 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.09223073743741, -0.005499550330558, -0.000288523378326], [0.0094432258541978, 8.412682258524656, -0.0077057175284391], [-0.0035425539133059, 0.0032469076039995, 10.974762890474384]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.682590706135895,0.0,0.0014479392256640724],[0.017223302113582282,8.932325528313749,-0.0107483031575047],[0.0,0.0,11.76742877]],"pbc":[true,true,true],"a":4.682590929999999,"b":8.9323486,"c":11.76742877,"alpha":90.068944080000... | 1.660189 | 2.752327 | [
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cd-251116-53a300921d044288aa7265ebab2afa2a | Ta1 Nb7 N8 | Ta1 Nb7 N8 | Pmm2 | 25 | -0.00006 | 2026-01-22 14:33:28 | 1,064 | 4.061702 | 4.72832 | 3.893343 | 0.666619 | 0.834977 | 0.168359 | 0.834977 | -168.528595 | 1.970615 | 1.807682 | 1.290279 | -166.364441 | 0.003066 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9399330046323673, 9.0948110297e-06, -5.4343040538e-06], [-1.71877262148e-05, 5.0827903389208675, 3.92461295186e-05], [3.76539268483e-05, -0.0001036410738904, 11.525148751312221]], "pbc": [true, true, true], "a": 2.939... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.974548849962211,0.0,-0.000014993764997096545],[-0.00003329650771770671,5.152246919186915,0.00008526292867324271],[0.0,0.0,11.58911002]],"pbc":[true,true,true],"a":2.97454885,"b":5.152246919999999,"c":11.58911002,"alpha":89.99... | 1.689525 | 1.970615 | [
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0.11495149... | 6 | 6 | 1.131593 | 1.651558 | 1.66823 | 1.747798 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251207-555d0c3c53654ecfba706c5de4f11161 | Ta2 Nb6 N8 | Ta2 Nb6 N8 | Pmn2_1 | 31 | -0.000073 | 2026-01-22 13:01:33 | 1,064 | 4.281872 | 4.821253 | 3.821272 | 0.539381 | 0.999981 | 0.4606 | 0.999981 | -170.182934 | 2.147051 | 1.875228 | 1.489805 | -168.279846 | 0.004083 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9377084768077606, -4.4357414542e-06, 1.66333942526e-05], [1.60275217734e-05, 5.079909212177971, -5.15731826999e-05], [-2.89710784017e-05, 4.92507970764e-05, 11.532207864991086]], "pbc": [true, true, true], "a": 2.9377... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.9715119899002196,0.0,0.000024351597126495285],[0.00002382846821971072,5.1467845494175775,-0.00007367091343662319],[0.0,0.0,11.59130176]],"pbc":[true,true,true],"a":2.97151199,"b":5.146784549999999,"c":11.59130176,"alpha":90.0... | 1.837362 | 2.147051 | [
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0.1198... | 6 | 6 | 1.038334 | 1.751692 | 1.442111 | 1.841427 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=434-step=16965.ckpt |
cd-251207-95c09d428acf41cbb812c69704e675d9 | Li1 Nb7 N8 | Li1 Nb7 N8 | Pmm2 | 25 | -0.001264 | 2026-01-22 15:04:35 | 1,064 | 2.668092 | 4.491768 | 5.156055 | 1.823676 | 0.664287 | 2.487963 | 2.487963 | -157.805585 | 3.368756 | 2.250439 | 2.469272 | -155.978378 | 0.006407 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.402304984310319, -0.0002717550450696, 4.95738365582e-05], [8.10776049817e-05, 5.139734515205068, 5.88740936412e-05], [-0.0001460461037731, -4.92292615053e-05, 5.940003357495336]], "pbc": [true, true, true], "a": 5.402... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.451346896913188,0.0,0.00018345181115595786],[0.00034250602451455734,5.23057926776576,0.00010331474546471003],[0.0,0.0,6.04529332]],"pbc":[true,true,true],"a":5.4513469,"b":5.23057928,"c":6.04529332,"alpha":89.99886828999999,"... | 2.696155 | 3.368756 | [
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0.114... | 6 | 6 | 2.266269 | 1.912376 | 2.926219 | 1.958861 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=659-step=25740.ckpt |
cd-251101-845acb4cca754bf2843d209a7256b794 | Ta3 Nb5 N8 | Ta3 Nb5 N8 | Pmm2 | 25 | -0.000058 | 2026-01-22 15:13:58 | 1,064 | 4.566846 | 4.972323 | 3.849313 | 0.405476 | 1.12301 | 0.717533 | 1.12301 | -171.836289 | 2.137799 | 1.858276 | 1.508048 | -170.188141 | 0.003536 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.935704197459981, -2.34669646102e-05, -8.1967358823e-06], [2.64796157882e-05, 5.077204490060996, 0.0001581163169711], [5.17986132335e-05, -0.0003860907949098, 11.54074167602548]], "pbc": [true, true, true], "a": 2.9357... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.9686326399228062,0.0,-0.000021408371278673373],[0.00006779055350214189,5.141207058968267,0.00032990496091117474],[0.0,0.0,11.59299047]],"pbc":[true,true,true],"a":2.9686326399999996,"b":5.14120707,"c":11.59299047,"alpha":89.9... | 1.834708 | 2.137799 | [
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0.1247753... | 6 | 6 | 0.999199 | 1.855301 | 1.323825 | 1.935762 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-c38e081cba4d4716b2d4515d577004b7 | Hg7 Te7 | Hg4 Te4 | F-43m | 216 | 0.000027 | 2026-01-22 16:45:38 | 1,064 | 4.209898 | 3.258214 | 3.781768 | 0.951685 | 0.523554 | 0.428131 | 0.951685 | -25.384642 | 1.311314 | 1.144446 | 1.820101 | -26.290913 | 0.009944 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.59561621614417, -0.0081516467465999, -0.6351788477173642], [-0.1879848679937698, 6.395595539842211, -1.2566351688272859], [0.0506756707315774, 0.0252691506108286, 16.726856056935606]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.671974501832208,0.0,-0.6583991234325816],[-0.17694089487719156,6.540734021626407,-1.283979294773136],[0.0,0.0,16.96603864]],"pbc":[true,true,true],"a":4.71813895,"b":6.66791665,"c":16.96603864,"alpha":101.10226681,"beta":98.0... | 1.425287 | 1.820101 | [
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0.0645084... | 1 | 1 | 0.530752 | 0.929479 | 0.542353 | 1.153435 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251207-0c49bf7c9a1646be97d9bef05f9e2f24 | Li1 Mo2 W1 N4 | Li1 Mo2 W1 N4 | Pmm2 | 25 | -0.00012 | 2026-01-22 14:49:29 | 1,064 | 5.20269 | 4.3342 | 4.14584 | 0.86849 | 0.18836 | 1.05685 | 1.05685 | -74.225495 | 2.115771 | 1.458043 | 0.656345 | -73.977013 | 0.013221 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8436433762362867, -1.9219622271e-05, -1.181731619e-05], [-0.0001787042881647, 5.5325537865245265, -0.0002353160990187], [-2.07431666254e-05, 0.0001098514552429, 4.95540159922311]], "pbc": [true, true, true], "a": 2.84... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.87101606,0.0,1.8039126095495187e-8],[-0.00014315201055006618,5.508140076374054,-0.00036002048160036117],[0.0,0.0,5.02230975]],"pbc":[true,true,true],"a":2.87101606,"b":5.50814009,"c":5.02230975,"alpha":90.00374494000002,"beta... | 1.410053 | 2.115771 | [
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0.1902196... | 6 | 6 | 1.024063 | 0.693931 | 1.102764 | 0.671271 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=839-step=32760.ckpt |
cd-251103-857dc19ad13d487bac5009280b1c548c | Ta1 Nb9 N10 | Ta1 Nb9 N10 | Pmm2 | 25 | -0.000036 | 2026-01-22 15:44:20 | 1,064 | 4.285786 | 4.985328 | 3.326412 | 0.699542 | 1.658916 | 0.959373 | 1.658916 | -210.506168 | 1.538329 | 1.721161 | 1.658378 | -207.472778 | 0.003144 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9457608130917, 1.40579593837e-05, 1.82408246491e-05], [-3.89249038093e-05, 5.088548877212787, 1.75260528462e-05], [-9.84004889625e-05, -8.6769000614e-06, 14.355322381391963]], "pbc": [true, true, true], "a": 2.9457608... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.9750919297470193,0.0,0.00003879795262385618],[-0.00006378440918837131,5.153294589563393,0.00002077209518190811],[0.0,0.0,14.48571521]],"pbc":[true,true,true],"a":2.97509193,"b":5.15329459,"c":14.48571521,"alpha":89.99976905,"... | 1.639289 | 1.721161 | [
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0.113772243... | 6 | 6 | 1.170759 | 1.632533 | 1.698476 | 1.740135 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-a041870e40704b90a3938139b87317c1 | K2 B2 Se4 | K4 B4 Se8 | C2/c | 15 | 0.001606 | 2026-01-22 15:50:35 | 1,064 | 2.402637 | 2.182507 | 2.210621 | 0.220129 | 0.028113 | 0.192016 | 0.220129 | -34.327231 | 0.007908 | 0.006208 | 0.006604 | -34.462582 | 0.023864 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.44085331126855, -0.0815457833652816, -1.200503434889047], [-2.133038710814635, 5.663682975462321, -2.936078555792325], [-0.0768850294265861, 0.0846117707659837, 6.724934088682925]], "pbc": [true, true, true], "a": 5.5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.410997265591059,0.0,-1.1527725460554443],[-2.091326439728229,5.681568741293161,-3.067626553556157],[0.0,0.0,6.80713641]],"pbc":[true,true,true],"a":5.53242948,"b":6.78706139,"c":6.80713641,"alpha":116.87088964,"beta":102.0266... | 0.006907 | 0.007908 | [
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cd-251119-e188a10ced6b474e88233811a320fc43 | Na1 Ta2 Se4 | Na1 Ta2 Se4 | Pmm2 | 25 | -0.002649 | 2026-01-22 14:49:25 | 1,064 | 3.250624 | 2.849938 | 3.403314 | 0.400686 | 0.553375 | 0.15269 | 0.553375 | -45.561234 | 0.175089 | 0.021158 | 0.079643 | -45.582619 | 0.024056 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4800260137790264, -0.0141156743021289, -0.0012696539885018], [0.0348607249477763, 7.464806744888724, 0.0227348939597757], [0.0019943914077233, -0.0133095865193947, 5.984260466863261]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.521551435902173,0.0,-0.0024526515416446863],[0.06618781564243949,7.714029166559953,0.03973375684768733],[0.0,0.0,6.0359356]],"pbc":[true,true,true],"a":3.52155229,"b":7.71441544,"c":6.0359356,"alpha":89.70489188,"beta":90.039... | 0.091964 | 0.175089 | [
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0.095... | 6 | 6 | 0.81602 | 1.847877 | 0.703001 | 1.883054 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251124-179f431bee314ddd91c7eff72f7d7a31 | Mo5 W3 | Mo5 W3 | Pmm2 | 25 | 0.000071 | 2026-01-22 15:02:45 | 1,064 | 4.464974 | 2.785784 | 2.76092 | 1.67919 | 0.024863 | 1.704054 | 1.704054 | -93.797026 | 5.128137 | 3.436538 | 3.714577 | -93.169861 | 0.00147 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.128715176934579, 1.13390952239e-05, -1.19295140421e-05], [3.23231221186e-05, 6.256617088814508, -0.0002850998569891], [-1.44634850924e-05, 0.0001756341836202, 6.261149438879003]], "pbc": [true, true, true], "a": 3.128... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1769486499964112,0.0,-4.775200199407543e-6],[9.793701500377185e-6,6.353917772797024,-0.0004674576760762209],[0.0,0.0,6.35388098]],"pbc":[true,true,true],"a":3.1769486500000004,"b":6.353917790000001,"c":6.35388098,"alpha":90.0... | 4.093084 | 5.128137 | [
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0.4994936452872... | 6 | 6 | 0.982721 | 2.253537 | 1.039269 | 2.381915 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-9b27392de33044d9b4d7f7039103d468 | Cs1 Rb1 In2 Ge2 Te8 | Cs1 Rb1 In2 Ge2 Te8 | P2 | 3 | null | 2026-01-22 16:54:37 | 1,064 | 3.506059 | 3.044863 | 3.118371 | 0.461196 | 0.073508 | 0.387688 | 0.461196 | -47.042202 | 0.118538 | 0.156181 | 0.232894 | -47.811127 | 0.023873 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.973707507818405, -0.0039722178695813, 0.0324208757691058], [-0.011129139677253, 8.98783569587126, 0.0326529249495626], [-0.0232272348632722, -0.0255318990678787, 9.170169529114132]], "pbc": [true, true, true], "a": 6.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.051975750881475,0.0,0.0523652138111313],[-0.006117886192303885,9.460528646420862,0.06065913182963285],[0.0,0.0,9.64654188]],"pbc":[true,true,true],"a":7.05217017,"b":9.46072509,"c":9.64654188,"alpha":89.63263534,"beta":89.574... | 0.169204 | 0.232894 | [
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0.0207439... | 1 | 1 | 0.345723 | 0.352856 | 0.374089 | 0.379313 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251207-b674dd9b3c2f464e983f1ba997e90b3e | Ca4 N6 | Ca8 N12 | C2/c | 15 | -0.002018 | 2026-01-22 16:49:22 | 1,064 | 2.781786 | 2.433972 | 3.270747 | 0.347814 | 0.836775 | 0.488961 | 0.836775 | -63.517136 | 1.062465 | 1.409794 | 1.390569 | -63.961269 | 0.022356 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.599843468453851, 0.0001094413526538, 0.4860641684714632], [-1.7860795504878308, 3.0946623481873576, -0.3523785744970012], [0.0635103633169061, -0.0690624176029077, 13.02205487129186]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.56140376502585,0.0,0.490077249924042],[-1.7688486200254785,3.1271335588894202,-0.3422519201416064],[0.0,0.0,13.58801998]],"pbc":[true,true,true],"a":3.5949648799999996,"b":3.6090062500000006,"c":13.58801998,"alpha":95.4416925... | 1.28761 | 1.409794 | [
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0.0... | 6 | 6 | 0.362036 | 1.755315 | 0.342531 | 1.585836 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=649-step=25350.ckpt |
cd-251119-857236100c7e4e9ab0c2e7658344e3d8 | La8 As5 Se2 S1 | La8 As5 Se2 S1 | Pmm2 | 25 | 0.00014 | 2026-01-22 15:38:42 | 1,064 | 3.081748 | 3.330429 | 1.006795 | 0.248682 | 2.323635 | 2.074953 | 2.323635 | -102.240113 | 0.189389 | 0.119414 | 1.963806 | -102.612068 | 0.003997 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.308155915693555, 0.0002309526951664, -4.85027284906e-05], [0.0003279278716264, 6.074550997138739, -0.0010037403675572], [-0.0011968337872599, 0.0010499513356008, 17.158082414978615]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.340965132521466,0.0,0.0002548099366924294],[1.8699227632507323e-6,6.131716422257863,-0.0013908474498416066],[0.0,0.0,17.35871164]],"pbc":[true,true,true],"a":4.34096514,"b":6.13171658,"c":17.35871164,"alpha":90.01299631,"beta... | 0.757537 | 1.963806 | [
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0.06122154... | 6 | 6 | 2.03522 | 0.711709 | 2.1494 | 0.79026 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251207-3584d09793be4f6582bf3b1db368d64d | Mo5 W7 | Mo5 W7 | Pmm2 | 25 | 0.000039 | 2026-01-22 15:06:37 | 1,064 | 4.04114 | 2.765313 | 2.683592 | 1.275827 | 0.08172 | 1.357548 | 1.357548 | -145.894624 | 5.428629 | 3.802572 | 4.057323 | -145.023483 | 0.002129 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1328532004998086, -1.1253823676e-05, 1.89567910227e-05], [1.0121338902e-06, 6.266520780273908, -7.3778228844e-05], [3.9784921379e-05, 6.8813879937e-05, 9.404207644165368]], "pbc": [true, true, true], "a": 3.1328532005... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.18234723999472,0.0,5.7969641790073035e-6],[0.00002390700265048982,6.365044978796927,-0.00012142356509138428],[0.0,0.0,9.54602195]],"pbc":[true,true,true],"a":3.1823472400000004,"b":6.36504498,"c":9.54602195,"alpha":90.0010930... | 4.429508 | 5.428629 | [
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0.5121547419272172... | 6 | 6 | 1.050841 | 2.338941 | 1.129001 | 2.487913 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=04-step=0195.ckpt |
cd-251201-d744dbf09f7949478b5d190575f2201d | Ta9 Nb1 N10 | Ta9 Nb1 N10 | Pmm2 | 25 | -0.000027 | 2026-01-22 14:52:17 | 1,064 | 5.63888 | 5.804729 | 4.505488 | 0.165849 | 1.299241 | 1.133392 | 1.299241 | -223.740597 | 0.649358 | 0.680058 | 1.74061 | -222.766129 | 0.002726 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9314544849620097, 1.2434574326e-05, -3.71936076164e-05], [3.99839997302e-05, 5.076354036815295, -0.0001123457323503], [-3.88803162544e-05, 0.0004539117844328, 14.419241653371065]], "pbc": [true, true, true], "a": 2.93... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.9554556398507987,0.0,-0.000029697037644095097],[0.00001858615415355909,5.119278422639187,-0.0002738953159812719],[0.0,0.0,14.50207418]],"pbc":[true,true,true],"a":2.95545564,"b":5.119278429999999,"c":14.50207418,"alpha":90.00... | 1.023342 | 1.74061 | [
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0.1463526308849... | 6 | 6 | 1.288707 | 2.353248 | 1.447435 | 2.470005 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251112-a7dbae44a84447de98dcbbd9c2089745 | La8 As5 Se1 S2 | La8 As5 Se1 S2 | Pmm2 | 25 | 0.000112 | 2026-01-22 14:57:40 | 1,064 | 3.11392 | 3.382827 | 0.949066 | 0.268907 | 2.433761 | 2.164855 | 2.433761 | -103.072951 | 0.209286 | 0.134976 | 2.196002 | -103.490059 | 0.002894 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.291717202078411, -0.000133280956909, -0.0001809810957473], [-0.0001853583853258, 6.051448707359952, 0.0003901087061044], [0.0006285156418767, -0.000822841447642, 17.067575016433924]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.32312906639329,0.0,-0.00034299727614674745],[2.881160963604212e-6,6.106484941072216,0.000689503844271703],[0.0,0.0,17.27340897]],"pbc":[true,true,true],"a":4.32312908,"b":6.106484979999999,"c":17.27340897,"alpha":89.99353054,... | 0.846755 | 2.196002 | [
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0.061223368582... | 6 | 6 | 2.033159 | 0.666926 | 2.141412 | 0.724256 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251109-e959cb8c3dd3406596a8a70d35e6e99b | La8 As1 Se7 | La8 As1 Se7 | Pmmm | 47 | 0.00016 | 2026-01-22 16:29:12 | 1,064 | 2.216772 | 1.529787 | 1.891569 | 0.686985 | 0.361782 | 0.325203 | 0.686985 | -99.580239 | 0.344059 | 0.641364 | 0.441512 | -99.882065 | 0.009387 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.052957021325439, -5.80603498928e-05, -1.42491592789109], [-0.0003147455706004, 8.556076158725071, -0.0004904968350856], [0.0077949987386235, -0.0002346241780076, 12.831351277359365]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.078895904183326,0.0,-1.4438306905508937],[-0.00013734572855544423,8.655666132325594,-0.0003376245485986517],[0.0,0.0,12.97926611]],"pbc":[true,true,true],"a":4.32689714,"b":8.65566614,"c":12.97926611,"alpha":90.00223489,"beta... | 0.475645 | 0.641364 | [
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0.06158066... | 6 | 6 | 1.668202 | 1.467917 | 1.757152 | 1.58451 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-1fe0ad141ece43bb99efd651553f7b32 | Rb4 As6 | Rb8 As12 | C2/c | 15 | -0.000319 | 2026-01-22 17:18:17 | 1,064 | 2.768252 | 2.90864 | 2.770132 | 0.140388 | 0.138508 | 0.001881 | 0.140388 | -35.424173 | 0.169168 | 0.195418 | 0.290058 | -35.798965 | 0.0434 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.104437069054824, 0.0339947536843413, -0.3331451087490907], [-1.9226008529458738, 6.841379253544999, -0.3234807985338379], [-0.0850637776066242, -0.1233264287458301, 7.2606385442758645]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.932144146345504,0.0,-0.2870840236464574],[-1.907172855036918,6.664806449215491,-0.26588383504090457],[0.0,0.0,8.02162422]],"pbc":[true,true,true],"a":6.938086170000001,"b":6.937409280000001,"c":8.02162422,"alpha":92.19646167,... | 0.218215 | 0.290058 | [
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-0.0057770679... | 1 | 1 | 0.522342 | 0.456542 | 0.567932 | 0.447071 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-7e7015f0093043e1af5f24084ae888cf | Hg2 Cl4 | Hg2 Cl4 | C2/m | 12 | 0.00004 | 2026-01-23 12:41:34 | 1,064 | 2.015544 | 1.888415 | 2.096836 | 0.127129 | 0.208421 | 0.081292 | 0.208421 | -11.283161 | 0.004316 | 0.003495 | 0.004531 | -11.601037 | 0.040885 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.782346100768256, 0.0001442610732004, 0.3797057100331804], [0.0015675144186693, 4.7809674323323605, -0.0006052393724894], [0.1028499116499767, -0.0008457010723958, 6.509908379559429]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.346376251488671,0.0,0.28629371349034005],[0.0016491911334197199,4.942012274795176,-0.000017318156559566468],[0.0,0.0,6.71203736]],"pbc":[true,true,true],"a":6.352830520000001,"b":4.94201255,"c":6.71203736,"alpha":90.00020078,... | 0.004114 | 0.004531 | [
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-0.00... | 6 | 6 | 0.116095 | -0.154264 | 0.102708 | -0.113058 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-093674dd5ddf48e3b7e543f407d5cfcc | Cs2 O1 | Cs4 O2 | C2/m | 12 | 0.000032 | 2026-01-23 10:22:29 | 1,064 | 2.438041 | 2.442313 | 2.462097 | 0.004272 | 0.019785 | 0.024057 | 0.024057 | -9.594607 | 0.113329 | 0.104839 | 0.072966 | -9.640432 | 0.039765 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.92901112798627, 0.0030909175209161, 1.4749229724404498], [-1.3518518698728006, 3.1617406515541657, -2.4039035076699755], [0.1735561174661855, -0.2464915568954653, 9.006914135943765]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.025502539975915,0.0,1.487341239842138],[-1.3834698085907717,3.2479833531044306,-2.4351577693394617],[0.0,0.0,9.55709874]],"pbc":[true,true,true],"a":4.2914863,"b":4.28875016,"c":9.55709874,"alpha":124.59704321,"beta":69.72175... | 0.097045 | 0.113329 | [
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-0.148... | 6 | 6 | 0.090662 | 0.256305 | 0.012024 | 0.228583 | crystal-diffusers | test_08-25_11-04/epoch=194-step=3120.ckpt |
cd-251023-759cb2b65a23465d8515d44f6ce1b5f7 | K12 S6 | K8 S4 | Fm-3m | 225 | 0.00004 | 2026-01-23 03:25:10 | 1,064 | 1.892258 | 1.892601 | 1.891015 | 0.000343 | 0.001586 | 0.001242 | 0.001586 | -56.481528 | 0.006289 | 0.006288 | 0.00624 | -56.969833 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.385166871391928, 0.000138153546469, -0.0001051231460753], [0.0009943060198114, 7.0081385195825305, -2.334138260517939], [-0.0009323425538627, -0.0017877988605155, 11.676647457156454]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.455842563985768,0.0,0.0004886708365203265],[0.0006827420199968236,7.070345990465669,-2.354347904778018],[0.0,0.0,11.7831602]],"pbc":[true,true,true],"a":7.4558425800000006,"b":7.45202972,"c":11.7831602,"alpha":108.41719433000... | 0.006272 | 0.006289 | [
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cd-251118-4c61e11180794a3b82ae67997953df55 | Ca2 C3 | Ca4 C6 | C2/m | 12 | -0.00354 | 2026-01-23 07:23:44 | 1,064 | 3.154748 | 3.303501 | 3.799325 | 0.148753 | 0.495824 | 0.644576 | 0.644576 | -32.204036 | 0.138331 | 0.168276 | 0.131405 | -32.27034 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6704670096440606, 0.1085875158812143, -0.8107349349316701], [-0.2234569024722683, 3.6515992902804157, -0.8300828141739417], [0.2252874622654768, 0.2344324781158295, 5.283260985455428]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5460723192168504,0.0,-1.0607568544556147],[-0.31503356817228506,3.5255732182265396,-1.0801075618770386],[0.0,0.0,6.01734838]],"pbc":[true,true,true],"a":3.70132868,"b":3.70074925,"c":6.01734838,"alpha":106.96945583,"beta":106... | 0.146004 | 0.168276 | [
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cd-251023-69bfa05e29ee48dfa104208b45e7bb0e | In2 Ge2 Se6 | In4 Ge4 Se12 | C2/m | 12 | 0.000194 | 2026-01-23 07:27:43 | 1,064 | 3.559577 | 3.619187 | 3.198653 | 0.05961 | 0.420534 | 0.360924 | 0.420534 | -39.151404 | 0.052815 | 0.061768 | 0.042237 | -39.485672 | 0.031736 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.59825508133998, -0.0015996091593448, 0.9487143271516946], [3.0867967810707584, 5.586233393233471, 1.8983074369928383], [0.0522081006709904, 0.1003148942677139, 7.204583603467094]], "pbc": [true, true, true], "a": 6.66... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.629250425542172,0.0,0.9520594695321537],[3.1033178842403193,5.616535234277846,1.9003827047388588],[0.0,0.0,7.59684962]],"pbc":[true,true,true],"a":6.697266489999999,"b":6.6923467,"c":7.59684962,"alpha":73.50309346,"beta":81.8... | 0.052273 | 0.061768 | [
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cd-251116-5540feafdfd142d4ad2b3cea8b00a160 | Ta1 Mo9 | Ta2 Mo18 | C2/m | 12 | 0.000002 | 2026-01-23 13:26:42 | 1,064 | 5.128041 | 5.017842 | 3.215089 | 0.110199 | 1.802753 | 1.912952 | 1.912952 | -110.810734 | 3.566372 | 3.908304 | 5.196123 | -110.044174 | 0.002114 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0733203726074003, -0.0046957396398863, -0.5987184996351401], [-0.2454168600446121, 6.144721374711801, -1.1954128352267073], [0.012470130875306, 0.016604898925388, 8.151911950890483]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.121834950781931,0.0,-0.6121062215546431],[-0.24030040990654922,6.241462129593606,-1.2249514309432947],[0.0,0.0,8.26906298]],"pbc":[true,true,true],"a":3.1812776500000006,"b":6.36506872,"c":8.26906298,"alpha":101.0957425999999... | 4.2236 | 5.196123 | [
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0.43399361046893... | 6 | 6 | 0.759064 | 2.725312 | 0.799568 | 2.793455 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251105-5ff25d465b0942ff8ad6a22b225bc5df | K4 Sn2 Hg2 Te8 | K4 Sn2 Hg2 Te8 | P4/nbm | 125 | 0.00003 | 2026-01-22 23:14:49 | 1,064 | 4.333109 | 3.554308 | 3.553397 | 0.778801 | 0.00091 | 0.779712 | 0.779712 | -46.27343 | 0.241316 | 0.465407 | 0.464471 | -47.021774 | 0.013608 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.461476482363442, -0.0128455016748264, 0.0051874479744357], [0.0285636827875733, 8.603249403722423, -0.0017840670099049], [-0.0004900914548873, 0.0038949629179374, 8.6024879978166]], "pbc": [true, true, true], "a": 7.4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.65117895184955,0.0,0.00569321532777865],[0.04447389026485578,8.725308917216557,-0.00575709454741424],[0.0,0.0,8.72694881]],"pbc":[true,true,true],"a":7.651181070000001,"b":8.72542416,"c":8.72694881,"alpha":90.03780415,"beta":... | 0.390398 | 0.465407 | [
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cd-251207-49fa4ca28b434372a9ae340f336e136c | Ca4 N6 | Ca4 N6 | C2/m | 12 | -0.002014 | 2026-01-23 03:32:43 | 1,064 | 2.586688 | 2.626606 | 2.219138 | 0.039918 | 0.407468 | 0.36755 | 0.407468 | -63.516555 | 1.125281 | 1.265093 | 0.797292 | -63.960884 | 0.023345 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.545077282819703, 0.0013059802857079, 0.0019229708944196], [-0.0001628799031631, 5.329185497742049, -4.385324918974626], [-0.0037252042982055, 0.2659500875520199, 7.425582719229955]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.6098459712294493,0.0,0.003845971455215882],[-0.004276135922891864,5.44356499388725,-4.797411129556149],[0.0,0.0,7.79516936]],"pbc":[true,true,true],"a":3.60984802,"b":7.25586464,"c":7.79516936,"alpha":131.3897027,"beta":89.93... | 1.062555 | 1.265093 | [
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0.096... | 6 | 6 | 0.365621 | 1.802842 | 0.3332 | 1.534599 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=814-step=31785.ckpt |
cd-251118-5fe03dcf02124b708e033d1df170b6cf | As4 S4 | As4 S4 | C2/m | 12 | -0.000221 | 2026-01-23 07:21:15 | 1,064 | 3.412247 | 2.552152 | 3.445957 | 0.860095 | 0.893805 | 0.03371 | 0.893805 | -35.613906 | 0.043915 | 0.27996 | 0.155617 | -36.068905 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3701831974454235, 0.0002891653231046, -0.0018305764675568], [-0.0004529001370383, 4.6068469164019215, -0.0927324473919608], [0.010615390329939, 1.9134467905428902, 12.802635419493159]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.4004303960132356,0.0,-0.0047830970099953405],[-0.001343348491503689,4.938237873730868,-0.8196995288543577],[0.0,0.0,13.39578692]],"pbc":[true,true,true],"a":3.40043376,"b":5.00580687,"c":13.39578692,"alpha":99.42461151000002,... | 0.159831 | 0.27996 | [
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0.035745139... | 6 | 6 | 0.679977 | 0.232913 | 0.696666 | 0.254541 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-d5179bfd28344211a0d3847e5c7aa511 | K10 Sb4 Au2 | K10 Sb4 Au2 | C2/m | 12 | 0.000729 | 2026-01-23 12:04:43 | 1,064 | 3.348536 | 3.594272 | 3.189738 | 0.245735 | 0.404533 | 0.158798 | 0.404533 | -40.927953 | 0.221798 | 0.197453 | 0.263877 | -41.486591 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.398290127969611, -0.4306992350418091, -1.171546855916704], [0.2632050784866254, 8.703306842532392, -0.1988650538730333], [0.6134958998229341, 0.4349895184297794, 10.474553817475448]], "pbc": [true, true, true], "a": 6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.04099257836221,0.0,-1.642213308938795],[0.7707552117793176,8.163791195562615,-0.5859930810379173],[0.0,0.0,10.99330496]],"pbc":[true,true,true],"a":7.22996826,"b":8.221005910000002,"c":10.99330496,"alpha":94.08750795,"beta":1... | 0.22771 | 0.263877 | [
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-0.02608... | 6 | 6 | 0.515009 | 0.656533 | 0.489785 | 0.593292 | crystal-diffusers | test_08-25_11-04/epoch=244-step=3920.ckpt |
cd-251201-be76c0d4a53a4a54894a48c8059235be | As4 Se4 | As4 Se4 | C2/m | 12 | -0.001396 | 2026-01-23 04:32:47 | 1,064 | 4.637095 | 4.458648 | 3.519498 | 0.178446 | 0.93915 | 1.117597 | 1.117597 | -33.086352 | 1.870654 | 1.974904 | 1.029692 | -33.431099 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.079331482991335, 0.01266112794601, 0.0803920290011379], [-0.0114326799472925, 3.6853558070632877, 0.010462821005385], [0.302866269665564, -0.0331046575105119, 13.358888249535394]], "pbc": [true, true, true], "a": 4.08... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.361218973309277,0.0,-0.0049516567540430455],[-0.025913398235812343,3.5236621662753573,0.019016067003166607],[0.0,0.0,13.00055674]],"pbc":[true,true,true],"a":5.36122126,"b":3.5238087600000005,"c":13.00055674,"alpha":89.690804... | 1.625083 | 1.974904 | [
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0.0457944922... | 1 | 1 | 0.735829 | 0.656417 | 1.133598 | 0.824375 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251201-e337d0e95e174ff194793d145d998342 | Mo2 S4 | Mo4 S8 | Cm | 8 | 0.000006 | 2026-01-23 03:30:39 | 1,064 | 3.056129 | 3.056375 | 2.192543 | 0.000246 | 0.863832 | 0.863587 | 0.863832 | -43.587142 | 0.041556 | 0.041569 | 0.006613 | -43.446953 | 0.007275 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.163586836639946, -0.0001084394777251, -0.0784775336511094], [-1.5826695162112117, 2.740274044380879, -0.0082141730226683], [-0.0365886855297265, 0.054247244447424, 24.957212708790696]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1881386206485827,0.0,-0.07333537164558365],[-1.595056774864526,2.7610547091419626,-0.01592663708306185],[0.0,0.0,24.64728683]],"pbc":[true,true,true],"a":3.1889819600000004,"b":3.18871179,"c":24.64728683,"alpha":90.2861760300... | 0.029913 | 0.041569 | [
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0.19551468225... | [
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0.1987932... | 6 | 6 | 0.740413 | 0.026769 | 0.732113 | 0.034742 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251121-f7a79b14a1d043bbbeb3eb19dbd85b12 | Mo4 W2 | Mo8 W4 | C2/m | 12 | 0.000093 | 2026-01-23 05:48:14 | 1,064 | 5.321979 | 5.580167 | 5.232642 | 0.258188 | 0.347524 | 0.089336 | 0.347524 | -69.814098 | 0.694591 | 0.615681 | 0.688438 | -69.349701 | 0.001362 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1191095586136837, -0.0008355656684011, 0.0029088214193137], [-1.5624928056774, 4.706475926600097, -1.5622249138970168], [0.0058924424416753, -0.0025134618295398, 6.24912673671685]], "pbc": [true, true, true], "a": 3.1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1763609897450635,0.0,-0.00004024352211248603],[-1.5883822217020258,4.7643107373580795,-1.5846096434062436],[0.0,0.0,6.35236227]],"pbc":[true,true,true],"a":3.17636099,"b":5.26617533,"c":6.35236227,"alpha":107.51186672000001,"... | 0.666237 | 0.694591 | [
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0.49868856669176... | 6 | 6 | 0.968954 | 2.228133 | 1.02726 | 2.357029 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251116-3f4d71603efa4c65a7d91c9ba8e7dd82 | K3 Tl2 Se4 | K6 Tl4 Se8 | C2/m | 12 | -0.000204 | 2026-01-23 08:19:56 | 1,064 | 2.642018 | 2.813758 | 2.628444 | 0.17174 | 0.185314 | 0.013574 | 0.185314 | -28.365411 | 0.145116 | 0.131657 | 0.139341 | -28.923573 | 0.03135 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.886907557975554, 0.0015484848658117, -0.0021664543985532], [2.4422125433580315, 8.791077066971871, 0.0483016694515473], [0.0040357947397917, -0.0337372827589615, 7.043467551368166]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.614095827658763,0.0,-0.005067147711487306],[2.30315455516454,8.982166447313082,0.09124133930250065],[0.0,0.0,7.61706584]],"pbc":[true,true,true],"a":4.61409861,"b":9.27319578,"c":7.61706584,"alpha":89.43624311,"beta":90.06292... | 0.138705 | 0.145116 | [
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0.016... | 6 | 6 | 0.224349 | 0.124543 | 0.214182 | 0.121693 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-6de7775f3a784edc8c81f9a405fc4cdd | B2 Se2 | B4 Se4 | C2/m | 12 | 0.000018 | 2026-01-23 10:22:36 | 1,064 | 1.857076 | 1.883994 | 1.609754 | 0.026918 | 0.27424 | 0.247322 | 0.27424 | -21.048889 | 0.005627 | 0.005918 | 0.002889 | -20.944351 | 0.001536 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.062965337547215, -0.0010316135537382, -1.1224571777312213], [-1.3673617271446663, 2.7855708272256816, 1.0062626900886242], [-0.007428038208597, 0.0007185525075664, 24.957269443315973]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.068597192370187,0.0,-1.1287235041321821],[-1.3688140978376666,2.7914198690563814,1.0122122126039734],[0.0,0.0,25.11671355]],"pbc":[true,true,true],"a":3.26960326,"b":3.26959485,"c":25.11671355,"alpha":71.96587539000001,"beta"... | 0.004811 | 0.005918 | [
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cd-251116-08ca0798949c46108b296376047f37ee | Mo3 W2 | Mo6 W4 | C2/m | 12 | 0.000006 | 2026-01-23 13:32:41 | 1,064 | 5.052952 | 5.545832 | 4.818364 | 0.49288 | 0.727468 | 0.234588 | 0.727468 | -58.870538 | 0.928992 | 1.480526 | 1.550786 | -58.497726 | 0.001593 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9720274494567778, 0.0007443767270561, 0.9421276170807774], [1.4849846976834653, 4.9561888719487355, 0.4773084657461338], [-0.0029389838829898, 0.0096246998746559, 5.193859973294182]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.0298970930712024,0.0,0.9578355993599649],[1.5155626675884992,5.0232763666994975,0.47594310047490246],[0.0,0.0,5.27096828]],"pbc":[true,true,true],"a":3.17769184,"b":5.268468230000001,"c":5.27096828,"alpha":84.81694535000001,"... | 1.320101 | 1.550786 | [
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0.503066606440652... | 6 | 6 | 0.996052 | 2.261268 | 1.056285 | 2.395452 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-31c7b629313e4360b62693d294a35eee | Mo2 Se4 | Mo4 Se8 | C2/m | 12 | 0.000036 | 2026-01-23 10:56:30 | 1,064 | 3.130894 | 3.131438 | 2.318593 | 0.000543 | 0.812845 | 0.812302 | 0.812845 | -39.901246 | 0.069277 | 0.069297 | 0.013133 | -39.710022 | 0.039717 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.291912991806875, -1.19087721528e-05, 0.0522379916292496], [-1.6453648191752783, 2.8512220616475594, -0.051180913514325], [-0.0422707998096331, 0.032568628521364, 29.479832312482056]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.3267460931192328,0.0,0.06263990930240518],[-1.662749181482315,2.8809424710193707,-0.06217818017361448],[0.0,0.0,32.3886268]],"pbc":[true,true,true],"a":3.32733577,"b":3.3269250800000005,"c":32.3886268,"alpha":91.07088517,"bet... | 0.050569 | 0.069297 | [
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0.206894... | 6 | 6 | 0.907373 | 0.050835 | 0.902793 | 0.064058 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251201-f879e9c6704c46c4903a7f26e46111ec | Cs1 Hg5 | Cs1 Hg5 | P2/m | 10 | 0.000508 | 2026-01-23 06:48:54 | 1,064 | 2.534414 | 2.125531 | 2.798812 | 0.408882 | 0.673281 | 0.264398 | 0.673281 | -2.850787 | 0.749167 | 1.095985 | 0.623175 | -3.474564 | 0.039243 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.783626278357636, 0.0387335005234603, -0.0410408061580486], [-2.8040407058412185, 4.792482319938095, 0.038889900389145], [0.0411675622719981, -0.0072876362800539, 7.368745212580786]], "pbc": [true, true, true], "a": 5.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.632154940159799,0.0,-0.0765268442810168],[-2.761910148923347,4.852204914174305,0.06344481065214479],[0.0,0.0,8.07700589]],"pbc":[true,true,true],"a":5.63267482,"b":5.58355312,"c":8.07700589,"alpha":89.34894537,"beta":90.77845... | 0.822776 | 1.095985 | [
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cd-251124-99936d07d2af46789ba00b9d00630e98 | K1 Mo4 Se2 S6 | K1 Mo4 Se2 S6 | P1 | 1 | null | 2026-01-23 10:47:23 | 1,064 | 3.54244 | 3.45864 | 2.242085 | 0.083799 | 1.216556 | 1.300355 | 1.300355 | -86.716015 | 0.200695 | 0.210458 | 0.175908 | -87.368515 | 0.01938 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2255840662070425, 7.97494270848e-05, 0.027763634077974], [3.86677170737e-05, 5.523135043064001, 0.0648552405970838], [-0.0015737819713787, 0.0059520593252296, 17.21550412176319]], "pbc": [true, true, true], "a": 3.225... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.2585454492185653,0.0,0.028475902493037067],[-0.00008642210213493024,5.578526888645991,0.06405060451145149],[0.0,0.0,17.48794578]],"pbc":[true,true,true],"a":3.25866987,"b":5.578894580000001,"c":17.48794578,"alpha":89.34217973... | 0.195687 | 0.210458 | [
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0.1913080... | 6 | 6 | 0.718828 | 0.066102 | 0.727455 | 0.076121 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251207-147dbd6f36694195bf9b72962520d2b9 | Hf5 C4 N1 | Hf10 C8 N2 | C2/m | 12 | 0.000109 | 2026-01-23 04:34:39 | 1,064 | 4.133408 | 2.947993 | 3.343942 | 1.185415 | 0.395949 | 0.789466 | 1.185415 | -106.700092 | 0.727366 | 1.186197 | 0.946862 | -106.566948 | 0.001546 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1717442375836185, -0.0019393810326224, 0.7291412012490598], [-1.339428909022307, 5.277461186317777, -1.4546532120072733], [0.003936771077212, 5.35158898739e-05, 7.272338778294323]], "pbc": [true, true, true], "a": 3.2... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.190394052749283,0.0,0.7320815693307795],[-1.343422959540441,5.312563396739599,-1.4632774001702957],[0.0,0.0,7.31889382]],"pbc":[true,true,true],"a":3.27330989,"b":5.671798290000001,"c":7.31889382,"alpha":104.95093544,"beta":7... | 0.953475 | 1.186197 | [
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0.2874... | 6 | 6 | 0.849805 | 1.675559 | 0.955723 | 1.773162 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=329-step=12870.ckpt |
cd-251201-785ac79fc21d457c866afb6fc2601047 | K6 Sb1 P1 | K6 Sb1 P1 | P-6 | 174 | -0.002348 | 2026-01-24 03:35:44 | 1,064 | 2.404488 | 2.916629 | 2.909484 | 0.512141 | 0.007145 | 0.504996 | 0.512141 | -18.127377 | 0.426099 | 1.196964 | 1.187685 | -18.840006 | 0.027735 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.517254547335239, 0.0016986897526088, 0.0019858460235927], [-0.0037406505734389, 7.507683221428583, 4.3231329364358855], [-0.003980981230866, 0.0038152161155041, 8.686229867025325]], "pbc": [true, true, true], "a": 5.5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.979691765025162,0.0,0.004556870462035251],[-0.0038285421401785193,7.998154764100183,4.596329092570689],[0.0,0.0,9.24219327]],"pbc":[true,true,true],"a":4.97969385,"b":9.224789179999998,"c":9.24219327,"alpha":60.11515376,"beta... | 0.936916 | 1.196964 | [
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cd-251121-4bc233f5138d4ddea94966ebafb76673 | Rb4 Sb16 | Rb2 Sb8 | C2/m | 12 | -0.000741 | 2026-01-26 13:16:30 | 1,064 | 4.757717 | 5.603484 | 4.08176 | 0.845767 | 1.521724 | 0.675957 | 1.521724 | -72.514827 | 2.910115 | 0.675892 | 1.307426 | -73.730537 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.9922885272769175, 0.0028284877581088, 0.7294807348285676], [-0.0034948082547262, 8.526289994263344, 0.0065547680537315], [-0.357749734402046, -0.0085132265588253, 11.771786175947389]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.510886077745597,0.0,1.0492380981581908],[-0.006206741649109336,8.816232162115096,0.01614503859406919],[0.0,0.0,13.86496217]],"pbc":[true,true,true],"a":6.59488727,"b":8.816249129999997,"c":13.86496217,"alpha":89.89507521,"bet... | 1.631144 | 2.910115 | [
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cd-251121-d488cbb5000b4f7399663e4793159942 | Ta1 Nb1 Mo8 | Ta2 Nb2 Mo16 | C2/m | 12 | 0.000076 | 2026-01-26 14:07:58 | 1,064 | 5.88707 | 5.660836 | 5.312367 | 0.226234 | 0.348469 | 0.574704 | 0.574704 | -110.46578 | 3.636715 | 3.769505 | 3.333533 | -109.605003 | 0.000985 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0807566035785268, 0.000935082540705, -0.6056963099092258], [-0.234269816772447, 6.159464953797021, -1.2115158175323257], [0.0019671240526097, 0.0022512078915631, 8.225363904981215]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.133401598922275,0.0,-0.6130521394174595],[-0.24020402289821863,6.263322018171832,-1.2263809845912619],[0.0,0.0,8.31490435]],"pbc":[true,true,true],"a":3.19281044,"b":6.38677626,"c":8.31490435,"alpha":101.07062138,"beta":101.0... | 3.579918 | 3.769505 | [
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cd-251105-eb0dc39e6b4e4f9bb2775fecfb7ee29a | Ta1 Mo15 | Ta2 Mo30 | C2/m | 12 | 0.000018 | 2026-01-26 13:00:32 | 1,064 | 3.55482 | 4.93967 | 5.124772 | 1.384851 | 0.185102 | 1.569953 | 1.569953 | -176.486329 | 5.250309 | 3.04244 | 3.259032 | -175.135086 | 0.002758 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.13892151420725, 0.0001026736187233, 0.6990145962726401], [0.7593786193981288, 6.823095791729975, 1.408935200340724], [-0.0021709108858638, 0.0075067865908577, 7.008235413016799]], "pbc": [true, true, true], "a": 5.186... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.2208052478564015,0.0,0.7101572864255377],[0.7727429918631827,6.917260815603996,1.4209355182192098],[0.0,0.0,7.1035898]],"pbc":[true,true,true],"a":5.26888326,"b":7.10385013,"c":7.1035898,"alpha":78.46167867,"beta":82.25391268... | 3.850594 | 5.250309 | [
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cd-251023-0eda303846a84e55b0b5de3945f86e4f | Sr3 Te3 | Sr4 Te4 | Fm-3m | 225 | 0.000069 | 2026-01-26 13:23:33 | 1,064 | 2.634059 | 2.634002 | 2.63345 | 0.000057 | 0.000551 | 0.000608 | 0.000608 | -24.788371 | 0.016287 | 0.016287 | 0.016139 | -24.928959 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.592934803447506, -0.0008266830016144, -1.0509129887076887], [-0.2403609821812945, 4.585914572052985, -1.0547317374782454], [-0.0071636225595527, 0.0007893740839934, 10.538200116766852]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.639984880310895,0.0,-1.0577145115571445],[-0.24283060527671482,4.633627260839445,-1.065235955419422],[0.0,0.0,10.63803121]],"pbc":[true,true,true],"a":4.75901457,"b":4.7606928,"c":10.63803121,"alpha":102.92976663000002,"beta"... | 0.016237 | 0.016287 | [
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0.08076... | 1 | 1 | 0.20072 | -0.023918 | 0.214653 | -0.022443 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251027-a927f3e9c24843a199c05f4b2bcb5929 | Mo11 W4 | Mo22 W8 | C2/m | 12 | 0.000048 | 2026-01-26 13:02:10 | 1,064 | 5.29122 | 6.177589 | 5.818785 | 0.886369 | 0.358804 | 0.527565 | 0.886369 | -172.474602 | 1.592799 | 0.877956 | 1.1525 | -171.248947 | 0.001354 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.407193405341191, -0.0062455795319175, -0.0023675517067468], [2.194895836265089, 6.3947172420854255, -0.9124749876365995], [-0.0042030654043172, -0.0124236508682263, 8.136679667385106]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.491642119316677,0.0,-0.00007834847532357217],[2.2456453460734678,6.479349299032652,-0.9137536027633464],[0.0,0.0,8.24668507]],"pbc":[true,true,true],"a":4.49164212,"b":6.91808037,"c":8.24668507,"alpha":97.58991732999999,"beta... | 1.207752 | 1.592799 | [
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0.4931337068... | 6 | 6 | 0.930126 | 2.19557 | 0.997952 | 2.318753 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=04-step=0095.ckpt |
cd-251027-21a29d68985345629a69be4898d582a9 | Mo9 W1 | Mo18 W2 | C2/m | 12 | 0.00001 | 2026-01-26 13:12:54 | 1,064 | 5.640295 | 5.756874 | 4.478905 | 0.116579 | 1.277969 | 1.161389 | 1.277969 | -111.427675 | 3.318302 | 3.428892 | 2.382078 | -110.624931 | 0.001486 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0717556919527613, -0.0100216956004185, 0.597296871364145], [0.2162958235667848, 6.140975538923521, -1.1947433875411952], [-0.0041420766852704, 0.0041044593520946, 8.085193929253906]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1118500710738397,0.0,0.6102359830554074],[0.2393809108894771,6.218862477853743,-1.2204716520951016],[0.0,0.0,8.23847707]],"pbc":[true,true,true],"a":3.17111949,"b":6.342011100000001,"c":8.23847707,"alpha":101.0953526,"beta":7... | 3.04309 | 3.428892 | [
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cd-251121-9c2188172d1b450f89926958f356ad0e | Mo2 W3 | Mo4 W6 | C2/m | 12 | 0.000022 | 2026-01-26 13:58:28 | 1,064 | 5.124594 | 5.435903 | 4.816794 | 0.311309 | 0.619109 | 0.307801 | 0.619109 | -60.922719 | 1.148071 | 1.718325 | 1.631043 | -60.60342 | 0.001181 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.977893245741466, -0.0038223250435695, 0.9457734638322924], [1.4817009412064925, 4.959587207283129, 0.4746058289892098], [-0.00144568226564, -0.0025211850338779, 5.201959887021151]], "pbc": [true, true, true], "a": 3.1... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.0335596497729163,0.0,0.9600584316792989],[1.515092849717063,5.032966900180508,0.48421607414825185],[0.0,0.0,5.27583321]],"pbc":[true,true,true],"a":3.18185423,"b":5.27832619,"c":5.27583321,"alpha":84.7364756,"beta":72.4385055... | 1.499147 | 1.718325 | [
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cd-251126-ceb70e97892d4eceaa1560f116b9bc28 | Mo1 W2 S6 | Mo1 W2 S6 | P-6m2 | 187 | 0.000001 | 2026-01-26 07:06:05 | 1,064 | 3.69295 | 3.69299 | 2.629195 | 0.000041 | 1.063795 | 1.063755 | 1.063795 | -69.092492 | 0.053629 | 0.053629 | 0.008025 | -69.097488 | 0.051131 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1689840329472996, 4.48956411633e-05, -0.0123652552535111], [-1.5845297294152216, 2.744466598878776, -0.0161907775927139], [-0.0033405365291292, -0.0223216178906393, 23.433206651150048]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.189856977648648,0.0,-0.013425450397747654],[-1.5949988351646167,2.762490902203904,-0.015768284185362396],[0.0,0.0,26.26255916]],"pbc":[true,true,true],"a":3.18988523,"b":3.1899256899999995,"c":26.26255916,"alpha":90.283222840... | 0.038428 | 0.053629 | [
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cd-251120-83c70bb1056b4d5a9d3a95ae0816ff4a | Ta2 Mo8 | Ta4 Mo16 | C2/m | 12 | 0.000018 | 2026-01-26 14:10:46 | 1,064 | 5.684786 | 5.593612 | 5.454149 | 0.091175 | 0.139463 | 0.230637 | 0.230637 | -112.266945 | 3.37624 | 3.842446 | 2.923994 | -111.544968 | 0.001502 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0778660628328685, 0.0004865796718532, 0.6078609353255989], [-0.2355322095418196, 6.162322946908931, 1.2123731500748285], [0.0005179752064264, -0.0016873320711321, 8.205248608579348]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.134926843470571,0.0,0.6147885268564179],[-0.241219446956739,6.268094388009434,1.2278561171175255],[0.0,0.0,8.30119837]],"pbc":[true,true,true],"a":3.19464102,"b":6.391777899999999,"c":8.30119837,"alpha":78.92467712,"beta":78.... | 3.380893 | 3.842446 | [
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0.39174679559... | 6 | 6 | 0.910729 | 3.196125 | 0.959784 | 3.298787 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-1afb606d56474fcf96e616aa030f2c35 | Ta4 Nb14 | Ta8 Nb28 | C2/m | 12 | 0.000028 | 2026-01-26 13:12:52 | 1,064 | 4.625552 | 3.632414 | 3.816335 | 0.993138 | 0.183921 | 0.809217 | 0.993138 | -190.347062 | 0.881095 | 2.371398 | 2.225447 | -188.88681 | 0.003368 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.332801954904631, -0.0003375514058328, 1.4919924538509728], [1.584879597327005, 6.936609902160565, 0.3625397391571324], [-0.0084443379480836, -0.0089356930138955, 7.124683014659723]], "pbc": [true, true, true], "a": 6.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.461079295697976,0.0,1.5225238573156268],[1.615270592180885,7.040923553955273,0.3788429748315637],[0.0,0.0,7.23393359]],"pbc":[true,true,true],"a":6.638043730000001,"b":7.233755980000001,"c":7.23393359,"alpha":86.9979581300000... | 1.82598 | 2.371398 | [
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-0.028927943957... | 6 | 6 | 0.918922 | 2.752927 | 0.941903 | 2.708815 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251027-194da5889a954e259935ee4ad7625d49 | Mo3 W1 Se8 | Mo3 W1 Se8 | Pmm2 | 25 | 0.000055 | 2026-01-26 12:55:03 | 1,064 | 4.55119 | 4.596997 | 3.586609 | 0.045807 | 1.010388 | 0.964581 | 1.010388 | -81.382996 | 0.111927 | 0.115249 | 0.03258 | -81.177795 | 0.053605 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.291792307039394, -0.0001574511834288, -0.0095310222259951], [0.0008210829412911, 5.702205202439465, -0.0584732675100434], [0.0256701670664123, 0.0847064221713976, 13.080858794088524]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.3272093214313916,0.0,0.008246134723145906],[0.00005102589705589619,5.763756989993018,-0.04210781470967667],[0.0,0.0,14.59556122]],"pbc":[true,true,true],"a":3.3272195400000006,"b":5.763910800000001,"c":14.59556122,"alpha":90.... | 0.086585 | 0.115249 | [
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0.21081059... | 6 | 6 | 0.876607 | 0.047077 | 0.86169 | 0.059168 | crystal-diffusers | optical-anisotropy_10-24_08-43/epoch=249-step=4750.ckpt |
cd-251116-a72e38089c754451baae4d47e95aca3f | Rb4 P4 S12 | Rb4 P4 S12 | C2/m | 12 | 0.000098 | 2026-01-26 14:00:33 | 1,064 | 2.194917 | 2.248976 | 2.322934 | 0.054059 | 0.073958 | 0.128017 | 0.128017 | -88.231822 | 0.0077 | 0.009604 | 0.010999 | -88.505814 | 0.016381 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.323325283450771, -0.070191035367615, 0.3879670279211176], [-0.6458533147679967, 7.217865591750973, -0.4213224278870003], [0.0745197500131971, 0.1565081256921836, 12.25272080153428]], "pbc": [true, true, true], "a": 6.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.529535084486939,0.0,0.35293992075193825],[-0.575744092780018,7.38504316554586,-0.5167387947561656],[0.0,0.0,12.38546343]],"pbc":[true,true,true],"a":6.539066829999999,"b":7.425453709999999,"c":12.38546343,"alpha":93.990449900... | 0.009434 | 0.010999 | [
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cd-251023-0d5739f29c8f4f50847fee935ed149d7 | K2 Rb4 As2 | K2 Rb4 As2 | P2_1/m | 11 | -0.000315 | 2026-01-26 17:01:02 | 1,064 | 2.48521 | 2.661991 | 2.723095 | 0.17678 | 0.061104 | 0.237885 | 0.237885 | -17.420513 | 0.414935 | 1.56614 | 1.364275 | -17.803139 | 0.017545 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.573732706013603, 0.0032857363851795, 0.0011158145703067], [-0.0044516599248381, 7.518118709210616, -4.47517839442177], [-0.00119962215815, -0.0174804614389513, 9.023036424687309]], "pbc": [true, true, true], "a": 5.57... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.1793339772090485,0.0,0.0018000271396956642],[-0.00894168954483311,7.722996942705417,-4.64656748778403],[0.0,0.0,9.39974466]],"pbc":[true,true,true],"a":5.17933429,"b":9.01306558,"c":9.39974466,"alpha":121.03334591000001,"beta... | 1.115117 | 1.56614 | [
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-0.0... | 1 | 1 | 0.143139 | 0.893144 | 0.148582 | 0.913256 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-6c67fefbbad949e0bf063ba5c5a856d6 | Bi4 Te6 | Bi8 Te12 | Cm | 8 | 0.000067 | 2026-01-27 08:58:01 | 1,064 | 8.135943 | 8.246766 | 6.964011 | 0.110823 | 1.282755 | 1.171932 | 1.282755 | -36.674867 | 1.760447 | 1.844493 | 1.349352 | -36.730721 | 0.001731 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.405531960055358, 7.77378573381e-05, 0.0018947337816307], [-2.2049107421870207, 3.8202744980214263, 0.0183455347879129], [-4.55656217658e-05, -0.011995524117749, 20.986288002172746]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.43585878489116,0.0,0.001919043659560095],[-2.220157665351875,3.845976801997377,0.020680979244678606],[0.0,0.0,21.14806273]],"pbc":[true,true,true],"a":4.4358592,"b":4.44084061,"c":21.14806273,"alpha":89.73317279000001,"beta":... | 1.651431 | 1.844493 | [
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0.08647186... | 1 | 1 | 1.155547 | 0.995353 | 1.104129 | 1.049253 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251023-67fd587f5baa4e008821ca77db60cba9 | K6 Bi6 | K6 Bi6 | P2_1/m | 11 | -0.00002 | 2026-01-26 22:14:13 | 1,064 | 2.244231 | 2.770174 | 2.393783 | 0.525943 | 0.376391 | 0.149552 | 0.525943 | -33.554795 | 1.017631 | 0.553593 | 0.389613 | -33.938175 | 0.019601 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.74381172799579, 0.0045440404369702, 0.0020952351078195], [-0.0080879281259728, 6.535139540407647, -2.131050384756297], [-0.0044466388219604, 0.4593559814296969, 16.148717151612356]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.857676580388296,0.0,0.003428090774222025],[-0.015196668710920704,6.753140385159013,-2.2902133107797455],[0.0,0.0,15.90459028]],"pbc":[true,true,true],"a":4.85767779,"b":7.13093353,"c":15.90459028,"alpha":108.73345354,"beta":8... | 0.653613 | 1.017631 | [
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cd-251207-0310853d65e24d38a132008229a42166 | Mo17 W1 | Mo17 W1 | P2/m | 10 | 0.000006 | 2026-01-27 04:35:48 | 1,064 | 5.220492 | 5.97499 | 5.77338 | 0.754498 | 0.20161 | 0.552888 | 0.754498 | -199.122187 | 1.848226 | 1.182922 | 1.072387 | -197.417831 | 0.002074 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.42698130863413, -6.773702628e-06, 4.44910160054e-05], [-3.1146355531e-06, 8.113241787020605, 0.0005342946581523], [0.0001154556786948, 0.0007067439422562, 7.63007785758366]], "pbc": [true, true, true], "a": 4.42698130... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.483413689941353,0.0,-0.00002293204189153184],[9.243421909844517e-6,8.236180387475747,-0.00020370307560234758],[0.0,0.0,7.76512883]],"pbc":[true,true,true],"a":4.48341369,"b":8.236180389999998,"c":7.76512883,"alpha":90.0014170... | 1.367845 | 1.848226 | [
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0.4792333265631... | 6 | 6 | 0.76765 | 2.211971 | 0.809838 | 2.348353 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=239-step=9360.ckpt |
cd-251119-359c2aaacacf49218034707b90174e2e | Mo8 W2 | Mo8 W2 | P2/m | 10 | 0.000071 | 2026-01-27 02:07:17 | 1,064 | 4.118105 | 5.093833 | 5.021868 | 0.975728 | 0.071964 | 0.903763 | 0.975728 | -113.564101 | 3.452012 | 1.465105 | 1.428482 | -112.750809 | 0.001819 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.117274998898585, -4.63289284353e-05, -4.01255902716e-05], [-9.54655439408e-05, 7.002757326632761, 0.0011649512861518], [0.0001116191645733, 0.0008135873049839, 6.99841747233014]], "pbc": [true, true, true], "a": 3.117... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.173648088689575,0.0,-0.00009120119073962225],[8.76932249051841e-6,7.096427361075175,0.00035579748068141165],[0.0,0.0,7.09556727]],"pbc":[true,true,true],"a":3.17364809,"b":7.096427370000001,"c":7.09556727,"alpha":89.997127330... | 2.1152 | 3.452012 | [
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0.4882632662478... | 6 | 6 | 0.879647 | 2.191273 | 0.947488 | 2.318624 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251201-5adc84ab228442a9957831d2691a292d | Te8 W4 | Te8 W4 | P2/m | 10 | -0.000037 | 2026-01-27 04:56:26 | 1,064 | 3.984556 | 4.395668 | 4.004763 | 0.411112 | 0.390905 | 0.020207 | 0.411112 | -78.106955 | 2.424724 | 0.770065 | 0.365278 | -77.939743 | 0.018308 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.460714231736167, 0.0002780631358082, -0.0015152381728773], [-0.0005144067158948, 6.164324962914922, -1.1949474173638652], [0.0025311697927875, -0.0616349117498558, 14.475836605864158]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.501747982493966,0.0,-0.002210199352638853],[-0.0007863039104909378,6.25644846732022,-1.20642415156606],[0.0,0.0,14.94420297]],"pbc":[true,true,true],"a":3.50174868,"b":6.37170364,"c":14.94420297,"alpha":100.91432284,"beta":90... | 1.186689 | 2.424724 | [
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0.20417977710... | 6 | 6 | 0.338556 | 0.679234 | 0.387032 | 0.76354 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251116-489bbb6cb53f4ea48d39f5d68c2f455a | Ta3 Mo7 | Ta3 Mo7 | P2/m | 10 | 0.000085 | 2026-01-27 06:02:22 | 1,064 | 4.688407 | 4.635 | 3.395782 | 0.053407 | 1.239218 | 1.292625 | 1.292625 | -113.602418 | 3.047944 | 3.353032 | 4.941734 | -112.968811 | 0.001362 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1668602004281614, -2.7394327043e-06, -2.8477529794e-06], [-9.2790632954e-06, 7.052983152904284, 0.0103513633036091], [-5.85399310431e-05, -0.0048270905116496, 7.045647472801443]], "pbc": [true, true, true], "a": 3.166... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.206922819911351,0.0,0.00002384491966788172],[-3.1292443853277518e-6,7.178058932516173,0.015464057320985304],[0.0,0.0,7.17422612]],"pbc":[true,true,true],"a":3.20692282,"b":7.178075589999999,"c":7.17422612,"alpha":89.87656498,... | 3.780903 | 4.941734 | [
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0.34575720... | 6 | 6 | 1.098809 | 3.183784 | 1.18327 | 3.307814 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251116-ca5cd16a81d44476b3956629b8a13b50 | Ta2 Mo8 | Ta2 Mo8 | P2/m | 10 | -0.000024 | 2026-01-27 07:10:17 | 1,064 | 4.76462 | 5.163124 | 4.990278 | 0.398504 | 0.172846 | 0.225658 | 0.398504 | -112.230331 | 3.879911 | 3.073963 | 3.143402 | -111.549255 | 0.00213 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.155074903356766, 3.44568376339e-05, 1.86869667209e-05], [0.0001530905417185, 7.023385122670023, -0.0105394315921761], [-2.43552834242e-05, 0.0012898165932474, 7.019601315242499]], "pbc": [true, true, true], "a": 3.155... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.194288639855566,0.0,0.000030376410325073136],[0.00007771265005810721,7.147167131656874,-0.012043997367203773],[0.0,0.0,7.14704882]],"pbc":[true,true,true],"a":3.19428864,"b":7.147177279999999,"c":7.14704882,"alpha":90.0965514... | 3.365758 | 3.879911 | [
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cd-251126-3a031e888d1442d6acf29dc9bcb67151 | Te8 W4 | Te8 W4 | P2/m | 10 | -0.00003 | 2026-01-27 03:37:42 | 1,064 | 3.900065 | 4.354889 | 3.968713 | 0.454824 | 0.386176 | 0.068648 | 0.454824 | -78.102135 | 2.608315 | 0.776633 | 0.410712 | -77.938751 | 0.023378 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4646277228407456, 0.0019923089978687, 0.0141463010735852], [-0.0078975836995854, 6.207753914149005, 0.9501887408901699], [-0.0550624060665655, 0.1484108418436072, 14.382987530786133]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5010667207035056,0.0,0.028046877988250958],[-0.007853863297185787,6.304562985979131,0.9173280330195994],[0.0,0.0,14.89608925]],"pbc":[true,true,true],"a":3.5011790600000006,"b":6.370954939999999,"c":14.89608925,"alpha":81.721... | 1.26522 | 2.608315 | [
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cd-251023-05a7d9adda084fc1b4d2fda7da70634e | K2 P2 | K4 P4 | C2/m | 12 | 0.000032 | 2026-01-26 16:34:46 | 1,064 | 2.040666 | 2.313625 | 2.294659 | 0.272959 | 0.018966 | 0.253993 | 0.272959 | -14.281061 | 0.49479 | 0.187779 | 0.225742 | -14.638084 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.710570069557582, -0.0842757217803253, -0.1000160921785013], [0.1805843584849914, 3.8705592675968776, 3.4311583310529605], [0.1957103449332415, 2.089399940908005, 9.339606545904834]], "pbc": [true, true, true], "a": 3.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8307904940041198,0.0,-0.2017130234565319],[0.16365996926650375,3.5200364797725223,3.1095450487015595],[0.0,0.0,10.61092096]],"pbc":[true,true,true],"a":3.83609749,"b":4.699650179999999,"c":10.61092096,"alpha":48.5738174099999... | 0.30277 | 0.49479 | [
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0.04685988... | 6 | 6 | 0.586772 | 0.474481 | 0.667446 | 0.354675 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251023-20993d76070b43b083d5924699629b3e | K6 Sb6 | K6 Sb6 | P2_1/m | 11 | 0.000019 | 2026-01-26 23:42:15 | 1,064 | 2.684198 | 2.597538 | 1.794336 | 0.08666 | 0.803202 | 0.889862 | 0.889862 | -35.976072 | 0.576038 | 0.42521 | 0.353613 | -36.38213 | 0.011312 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.576768199651008, -8.41261275843e-05, -0.0025339009973107], [-0.0096555035116163, 6.667858650003549, -1.0163452238973825], [0.0091696322352776, 0.0184572392565357, 15.371708251447574]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.524584233547908,0.0,-0.0052072457943261085],[-0.008837450187001605,6.9860746390074775,-1.0062718367145413],[0.0,0.0,15.10224143]],"pbc":[true,true,true],"a":4.52458723,"b":7.05817965,"c":15.10224143,"alpha":98.19648321000001,... | 0.45162 | 0.576038 | [
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cd-251119-ccd46ec46e7c4e5688cbfe609855bebd | Mo9 W1 | Mo9 W1 | P2/m | 10 | 0.000002 | 2026-01-27 02:56:57 | 1,064 | 5.818298 | 6.416572 | 5.055759 | 0.598274 | 1.360813 | 0.762539 | 1.360813 | -111.449049 | 2.665539 | 1.119554 | 2.21312 | -110.625694 | 0.001393 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.412065793116432, 4.70403517093e-05, -4.39715902215e-05], [2.66564682723e-05, 5.052895420449432, 1.069486850054318], [-3.38254143518e-05, -0.0143265741804476, 6.841473782398436]], "pbc": [true, true, true], "a": 4.4120... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.484610669943554,0.0,-0.000022500628148777928],[-0.00002242044402895456,5.144003632016161,1.0910878332534972],[0.0,0.0,6.91066973]],"pbc":[true,true,true],"a":4.48461067,"b":5.25844521,"c":6.91066973,"alpha":78.02455454,"beta"... | 1.999404 | 2.665539 | [
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0.4814436846764... | 6 | 6 | 0.799447 | 2.188478 | 0.849986 | 2.316333 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-9bac45dd76d1426889a88554128f1428 | Ta2 Nb10 | Ta2 Nb10 | P2_1/m | 11 | 0.000039 | 2026-01-26 18:48:40 | 1,064 | 5.285015 | 2.989536 | 4.140371 | 2.295479 | 1.150835 | 1.144644 | 2.295479 | -125.695083 | 1.806012 | 3.536117 | 1.843712 | -124.75267 | 0.003976 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.654440187181963, -0.0001050417555674, 3.54519384242e-05], [4.96772957685e-05, 5.288412146723135, 0.973158585367369], [-0.0002057255281096, 0.0513486018741116, 8.469420827139045]], "pbc": [true, true, true], "a": 4.654... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.693135727600586,0.0,0.00015007181624926273],[0.0001982241101317311,5.420659740527664,0.9581997695158441],[0.0,0.0,8.62407865]],"pbc":[true,true,true],"a":4.69313573,"b":5.50469789,"c":8.62407865,"alpha":79.97548922,"beta":89.... | 2.39528 | 3.536117 | [
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cd-251023-bbb51b457e5147c6b380ab9c63052117 | K12 O4 | K12 O4 | C2/m | 12 | -0.000352 | 2026-01-26 15:29:04 | 1,064 | 0.572299 | 1.111985 | 1.333553 | 0.539686 | 0.221568 | 0.761254 | 0.761254 | -44.986129 | 1.556704 | 1.778711 | 1.717517 | -45.752357 | 0.019045 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.0684289060947405, -0.0086504663666238, 0.8870334333729583], [0.999116725278027, 9.283795785572876, 1.6314258100685577], [0.0026986768530601, -0.1128193635289058, 9.467765003048127]], "pbc": [true, true, true], "a": 7.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[7.180909882440628,0.0,0.9141870540024595],[1.0118524654291778,9.573250386607317,1.798727339605386],[0.0,0.0,9.7781363]],"pbc":[true,true,true],"a":7.2388676400000005,"b":9.793180710000001,"c":9.7781363,"alpha":79.41631726,"beta... | 1.68431 | 1.778711 | [
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cd-251023-a0f570a0d2b84928a9c3dbea1edd233e | Rb3 As4 | Rb6 As8 | C2/m | 12 | -0.001236 | 2026-01-26 15:48:35 | 1,064 | 2.820243 | 2.714594 | 2.579694 | 0.10565 | 0.1349 | 0.240549 | 0.240549 | -23.979828 | 0.092049 | 0.12617 | 0.111002 | -24.391518 | 0.030979 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.996326687633579, 0.1790541609039617, 3.2493351892389977], [1.2243120524720148, 6.520894715173043, 1.960170998445111], [0.2711860314180641, 0.1945702952213298, 6.8345686989509495]], "pbc": [true, true, true], "a": 6.82... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.094970744660169,0.0,2.979293860197399],[1.0953009588081282,6.62348106791425,1.712319777562413],[0.0,0.0,6.78115741]],"pbc":[true,true,true],"a":6.78416246,"b":6.928363780000001,"c":6.78115741,"alpha":75.69128846,"beta":63.950... | 0.10974 | 0.12617 | [
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cd-251023-057380a28e7944989db9a087415069e9 | K8 P8 H2 | K16 P16 H4 | Cc | 9 | -0.000155 | 2026-01-27 10:30:55 | 1,064 | 2.297304 | 2.361797 | 2.502585 | 0.064494 | 0.140788 | 0.205282 | 0.205282 | -64.775155 | 0.656052 | 0.669617 | 0.24173 | -65.677818 | 0.04546 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.520112249351424, -0.1436039991342382, -0.3202149051485877], [-0.7004630222380713, 6.484137423949282, -0.3215775388408205], [-0.0317435139137927, -0.0313197322938847, 11.449776088732627]], "pbc": [true, true, true], "a... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[6.507906547212081,0.0,-0.312832995509338],[-0.5565781848533329,6.481980869680264,-0.3162559485750178],[0.0,0.0,11.78292365]],"pbc":[true,true,true],"a":6.515421100000001,"b":6.51351465,"c":11.78292365,"alpha":92.78302257,"beta"... | 0.522466 | 0.669617 | [
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0.02469556... | 6 | 6 | 0.422456 | 0.35383 | 0.365891 | 0.346524 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-83202f70e5cc4a73a4c5ac070effbb35 | Na2 Ta2 N4 | Na3 Ta3 N6 | R-3m | 166 | 0.000786 | 2026-01-27 09:23:11 | 1,064 | 3.872681 | 3.853067 | 2.678426 | 0.019614 | 1.174641 | 1.194255 | 1.194255 | -67.071272 | 0.068234 | 0.067998 | 0.021543 | -66.884384 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.109407470349211, 0.0041317217805976, -0.0035795227366957], [-1.5579944350640482, 2.658415114124398, 0.4205843560555863], [0.0119788944811613, 0.0450750511300948, 11.250751864053255]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1471530508423884,0.0,-0.007069055893658287],[-1.5809588518760092,2.6983236561522888,0.4247240632863894],[0.0,0.0,11.6063253]],"pbc":[true,true,true],"a":3.14716099,"b":3.15606907,"c":11.6063253,"alpha":82.26602711,"beta":90.1... | 0.052592 | 0.068234 | [
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0.0... | [
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0.04... | 6 | 6 | 0.835566 | 0.634212 | 0.879894 | 0.627062 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251030-79f775e57ee94d7db9c070792f8d205b | Ta2 Te4 | Ta4 Te8 | C2/m | 12 | -0.001887 | 2026-01-26 15:53:13 | 1,064 | 4.765975 | 4.27909 | 3.177831 | 0.486885 | 1.101259 | 1.588144 | 1.588144 | -38.2209 | 1.754143 | 1.350708 | 2.733846 | -38.398369 | 0.050778 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3979112440692103, 7.57511065875e-05, -0.8176793071814953], [-0.5420732716442488, 6.262660770145931, -2.2358036105899495], [-0.027635952340383, -0.3904608298964399, 7.366366253784732]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.51594332743392,0.0,-0.8498076403639166],[-0.49200739453343595,6.308689208804781,-2.0380003072600537],[0.0,0.0,7.79351546]],"pbc":[true,true,true],"a":3.61718544,"b":6.64793773,"c":7.79351546,"alpha":107.85211900000002,"beta":... | 1.946232 | 2.733846 | [
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0.12118455... | 6 | 6 | 1.52198 | 1.95745 | 1.369971 | 2.223513 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-fda9589cedd3499082cbaf6b7e4f6f59 | Ta4 Te4 Se4 | Ta4 Te4 Se4 | P2_1/m | 11 | -0.000039 | 2026-01-27 00:16:34 | 1,064 | 4.852131 | 3.807058 | 2.892905 | 1.045072 | 0.914153 | 1.959226 | 1.959226 | -80.578864 | 2.940811 | 2.277848 | 1.862713 | -80.963829 | 0.038282 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.441676856070737, -0.0001570210153259, 0.0016985871587853], [0.0001125115932138, 6.499427434147218, -0.9454017255526557], [0.0023925505209115, -0.0378113507124993, 12.899370504518378]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5172552268997723,0.0,0.0011654894290309406],[0.0005764343882715336,6.439739957955686,-1.0052998194775122],[0.0,0.0,13.94397871]],"pbc":[true,true,true],"a":3.51725542,"b":6.517735710000001,"c":13.94397871,"alpha":98.87275935,... | 2.360457 | 2.940811 | [
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0.1198955... | 6 | 6 | 1.936323 | 1.823926 | 1.791522 | 1.928516 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251023-f3a77829dfbd41ab83e8b880a1fe1d73 | Ta3 Nb17 | Ta3 Nb17 | P2/m | 10 | 0.000014 | 2026-01-27 08:48:30 | 1,064 | 3.640243 | 3.300198 | 2.616828 | 0.340045 | 0.68337 | 1.023416 | 1.023416 | -208.884877 | 3.185886 | 2.274864 | 4.749472 | -207.338699 | 0.005711 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.618404093115896, 8.76686092393e-05, 9.72501069004e-05], [-0.0002077002172455, 6.970697186769187, -1.4861093778627348], [-0.0002185190614506, -0.0163869881539368, 10.806926896355703]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.694662516033707,0.0,0.00019297877187371624],[-0.0003771363780775098,7.075986129560417,-1.502868653593543],[0.0,0.0,11.00704858]],"pbc":[true,true,true],"a":4.69466252,"b":7.23382292,"c":11.00704858,"alpha":101.99086861000002,... | 3.403407 | 4.749472 | [
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cd-251030-930e7b1e8cf64c72b073983a05ae562e | Ta2 Te2 Se2 | Ta2 Te2 Se2 | P2_1/m | 11 | -0.000093 | 2026-01-27 01:02:10 | 1,064 | 4.302562 | 3.098452 | 3.024936 | 1.20411 | 0.073516 | 1.277626 | 1.277626 | -40.279994 | 2.261711 | 1.64253 | 1.170058 | -40.482456 | 0.027019 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3554999026111303, 0.0008857602457244, -0.00371093511159], [-0.0049030043289924, 5.507982823390424, -3.6144430764517117], [0.0040444859208732, -0.21335577458735, 8.014637553577597]], "pbc": [true, true, true], "a": 3.3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.5131560882769053,0.0,-0.005542301897625658],[-0.004511059722222236,5.485597229127262,-3.5134167172531163],[0.0,0.0,8.12075608]],"pbc":[true,true,true],"a":3.51316046,"b":6.51428387,"c":8.12075608,"alpha":122.63875089999999,"b... | 1.691433 | 2.261711 | [
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0.1210047588... | 6 | 6 | 1.921955 | 1.826216 | 1.63954 | 1.934795 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251201-bbdc18d6ffb3495392ef93fa06f15081 | La8 As7 S1 | La8 As7 S1 | P2/m | 10 | 0.000081 | 2026-01-27 04:46:20 | 1,064 | 4.072527 | 3.904362 | 4.331805 | 0.168166 | 0.427444 | 0.259278 | 0.427444 | -102.48577 | 0.985027 | 0.789835 | 0.724455 | -102.803329 | 0.002772 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.738508640703473, 0.0016258982873762, 2.1654549719557217], [-2.4897024145649493, 7.041706109741807, -4.3284421356371245], [0.002494524692452, -0.0018120489760442, 17.2827546080648]], "pbc": [true, true, true], "a": 4.3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.774328408137115,0.0,2.18323506507584],[-2.516664530376781,7.113502540856217,-4.363962609694009],[0.0,0.0,17.42900445]],"pbc":[true,true,true],"a":4.36028328,"b":8.71663286,"c":17.42900445,"alpha":120.04286391,"beta":59.953051... | 0.833106 | 0.985027 | [
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0.061... | 6 | 6 | 0.29533 | 0.508968 | 0.300259 | 0.539475 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251104-b7f413cef3ce47e3a8ca5ce87033f69d | W2 Se4 | W2 Se4 | P2_1/m | 11 | 0.00002 | 2026-01-26 17:03:34 | 1,064 | 4.314489 | 4.31582 | 3.384129 | 0.001331 | 0.931691 | 0.93036 | 0.931691 | -43.21453 | 0.090092 | 0.090029 | 0.023019 | -43.236595 | 0.066871 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2872992296110035, 0.0003453629742875, -0.023167798224308], [-1.6433214265642906, 2.847583499564679, 0.015717291744652], [-0.0022491085145767, 0.0002229086990435, 13.320695322344022]], "pbc": [true, true, true], "a": 3... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.324042842100523,0.0,-0.026035269296054517],[-1.662009010157811,2.878761316894196,0.01655068394803405],[0.0,0.0,15.28813335]],"pbc":[true,true,true],"a":3.3241448,"b":3.32412614,"c":15.28813335,"alpha":89.71472555,"beta":90.44... | 0.067713 | 0.090092 | [
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0.2433902... | 6 | 6 | 0.773455 | 0.103174 | 0.810211 | 0.093569 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251119-21b7c514669e4b4b93fc88d7c2bac72a | Tl1 Sn1 Ge1 Te3 | Tl1 Sn1 Ge1 Te3 | P3m1 | 156 | 0.000978 | 2026-01-27 10:58:26 | 1,064 | 5.187114 | 5.177579 | 6.988699 | 0.009534 | 1.81112 | 1.801585 | 1.81112 | -21.187133 | 2.078304 | 2.070755 | 2.770959 | -21.638557 | 0.017994 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.353072604890243, -0.0026607845870491, -0.0008832742440286], [-2.1739577201506046, 3.769941569245029, -0.0003851845353318], [0.0025252248179285, 0.0007273170682653, 11.26069594738406]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.3434925308049905,0.0,-0.0020402843227259227],[-2.1668729331077925,3.761764518114471,-0.0001609810446340058],[0.0,0.0,11.69523188]],"pbc":[true,true,true],"a":4.34349301,"b":4.34122225,"c":11.69523188,"alpha":90.00212464,"beta... | 2.306673 | 2.770959 | [
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0.08929078073... | 1 | 1 | 1.091594 | 1.851286 | 1.129686 | 1.92773 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251101-82893b9215d74dceb915925a283d0c5f | La8 Te1 As7 | La8 Te1 As7 | P2/m | 10 | 0.000106 | 2026-01-27 07:33:25 | 1,064 | 4.011415 | 3.94364 | 4.314452 | 0.067775 | 0.370812 | 0.303037 | 0.370812 | -100.477785 | 1.117922 | 0.613431 | 0.765961 | -100.757477 | 0.003105 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.777651185219715, -0.0010504116355653, 2.1798531333450546], [2.523541052185984, 7.130458904372416, 4.358411584133973], [0.0048013305717169, 0.0027932218925485, 17.490186862761515]], "pbc": [true, true, true], "a": 4.36... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.8133411956235634,0.0,2.197026665730571],[2.5492522033086016,7.2087883171418,4.392991469102342],[0.0,0.0,17.63637498]],"pbc":[true,true,true],"a":4.40096549,"b":8.81837229,"c":17.63637498,"alpha":60.12142568,"beta":60.05194146... | 0.832438 | 1.117922 | [
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0.059564908... | 6 | 6 | 0.332903 | 0.507199 | 0.32765 | 0.552477 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-f319e8e3ac4d4088b648ec238d3584e3 | K12 P4 | K12 P4 | P2_1/m | 11 | -0.002375 | 2026-01-26 18:24:26 | 1,064 | 2.327042 | 2.758738 | 2.817572 | 0.431697 | 0.058834 | 0.490531 | 0.490531 | -37.546586 | 0.440366 | 1.47707 | 1.41535 | -39.057777 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.279556935715905, -0.0045254032998353, -0.0006630820733043], [0.0068610085971741, 8.415918846282878, -0.0349646852299803], [-0.0003397152495303, -0.004263434961372, 14.518665043495634]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.9365953501319,0.0,-0.0007688232377792529],[0.01350054552581258,8.767321598994629,-0.03399230279371704],[0.0,0.0,15.16776115]],"pbc":[true,true,true],"a":4.93659541,"b":8.76739789,"c":15.16776115,"alpha":90.22214349,"beta":90.... | 1.110929 | 1.47707 | [
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-0.00804920... | 6 | 6 | 0.454643 | 0.928263 | 0.446924 | 0.899905 | crystal-diffusers | test_08-25_11-04/epoch=244-step=3920.ckpt |
cd-251119-94fce71eefc449769375c966baffc6c4 | Ti1 Mo9 | Ti1 Mo9 | P2/m | 10 | -0.000324 | 2026-01-27 07:07:02 | 1,064 | 5.993499 | 5.625719 | 6.465173 | 0.36778 | 0.839454 | 0.471674 | 0.839454 | -107.019575 | 3.471344 | 3.874998 | 3.105988 | -106.324753 | 0.004582 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.428888147060115, -7.59643883342e-05, -6.9530603378e-05], [8.54523522424e-05, 5.046514345696948, 1.061208145190541], [5.62109062476e-05, -0.0182829644929979, 6.77263385765275]], "pbc": [true, true, true], "a": 4.428888... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.476842158668739,0.0,-0.00010917736115780873],[0.00016607859069159566,5.139527638759615,1.0951235224070528],[0.0,0.0,6.90052221]],"pbc":[true,true,true],"a":4.47684216,"b":5.25490627,"c":6.90052221,"alpha":77.97138361,"beta":9... | 3.48411 | 3.874998 | [
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0.39989412146890... | 6 | 6 | 0.695675 | 2.582549 | 0.732121 | 2.652366 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251207-77d6d969d6b9490ca57cd9b489bc70a4 | Hf2 Se4 S2 | Hf2 Se4 S2 | P2_1/m | 11 | -0.001357 | 2026-01-26 22:20:01 | 1,064 | 3.254782 | 4.776125 | 3.162285 | 1.521343 | 1.61384 | 0.092497 | 1.61384 | -50.873279 | 0.469048 | 1.016891 | 0.083342 | -50.931778 | 0.023728 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.663377687996191, -0.001061745677624, 0.0031598017108077], [0.002057981807321, 5.128412370088927, -0.6390850547625727], [-0.0109188061078839, 0.0054106239471067, 9.372151432105623]], "pbc": [true, true, true], "a": 3.6... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.6923743743832356,0.0,0.00752878211992027],[0.002839027431520472,5.250013138108589,-0.65374027879527],[0.0,0.0,9.54253372]],"pbc":[true,true,true],"a":3.6923820499999995,"b":5.29055974,"c":9.54253372,"alpha":97.09802774,"beta"... | 0.523094 | 1.016891 | [
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0.054792... | 6 | 6 | 1.483655 | 0.347619 | 1.606544 | 0.423798 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=354-step=13845.ckpt |
cd-251207-eca1689bd7ea49dfa31be9cdbf930d9d | Na3 Rh1 N4 | Na3 Rh1 N4 | P2/m | 10 | -0.006093 | 2026-01-27 05:54:06 | 1,064 | 2.475183 | 1.928874 | 4.583759 | 0.546309 | 2.654884 | 2.108575 | 2.654884 | -45.380551 | 1.936887 | 0.306033 | 1.595601 | -45.602455 | 0.018149 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.219193645501744, -0.0007156962905348, 1.1776417833031851], [0.0320593722632178, 3.788057412926482, -0.088178024708339], [-0.0450251724417303, -0.0417665738270141, 10.114298697966651]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.307729379685099,0.0,1.2025968364726936],[0.027513099731076195,3.8827695448879362,-0.07275054973100552],[0.0,0.0,10.20156679]],"pbc":[true,true,true],"a":3.51956145,"b":3.8835485,"c":10.20156679,"alpha":91.07338515,"beta":70.0... | 1.279507 | 1.936887 | [
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0.030030... | 6 | 6 | 2.690682 | 1.064159 | 2.645758 | 1.119896 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=834-step=32565.ckpt |
cd-251023-063e812179d943678ee8d84447d3d6f0 | Ta3 Nb8 | Ta6 Nb16 | Cm | 8 | 0.0001 | 2026-01-27 10:45:29 | 1,064 | 3.128634 | 2.56914 | 2.09254 | 0.559494 | 0.476601 | 1.036094 | 1.036094 | -117.155328 | 2.786727 | 4.099815 | 3.524163 | -116.401077 | 0.005846 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.606837759673201, -0.0016667212083396, -0.0200905672086701], [-2.306888581634991, 4.876774157487805, 0.3050365684396891], [-0.0371662260148038, -0.0387337822431657, 8.523437432321474]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.696413748308075,0.0,0.00012606332528262773],[-2.3485022598036918,4.968111091264274,0.3208880791504747],[0.0,0.0,8.62277213]],"pbc":[true,true,true],"a":4.6964137500000005,"b":5.504594429999999,"c":8.62277213,"alpha":86.658071... | 3.470235 | 4.099815 | [
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-0.0261784990... | 6 | 6 | 0.894269 | 2.707016 | 0.902759 | 2.661878 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251124-52a323cf8e9946f6be9a786193dc378d | Mo1 W2 Se6 | Mo1 W2 Se6 | P-6m2 | 187 | 0.000065 | 2026-01-27 10:45:55 | 1,064 | 4.373861 | 4.373198 | 3.349086 | 0.000663 | 1.024112 | 1.024775 | 1.024775 | -63.164262 | 0.099797 | 0.099813 | 0.024081 | -63.087711 | 0.045212 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2886928355395755, -0.000109652616256, 0.0096689490698937], [-1.6443489028815221, 2.847808013802428, -0.0103787043136399], [-0.0675427298353899, 0.0426977432177534, 20.087201200928263]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.3253188702681853,0.0,0.021647335082382133],[-1.6625648919433882,2.8797142572143644,-0.02203238679063885],[0.0,0.0,21.92008659]],"pbc":[true,true,true],"a":3.32538933,"b":3.3252611400000003,"c":21.92008659,"alpha":90.37963094,... | 0.074564 | 0.099813 | [
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0.228619... | 6 | 6 | 0.823709 | 0.067572 | 0.840978 | 0.07355 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251023-d11709211df8477a944b346e6cf70539 | K3 I3 | K6 I6 | Imm2 | 44 | 0.000036 | 2026-01-27 10:54:17 | 1,064 | 1.793073 | 1.793156 | 1.793435 | 0.000084 | 0.000279 | 0.000362 | 0.000362 | -16.680136 | 0.003012 | 0.003011 | 0.003011 | -16.814545 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.8918052391969695, -0.0035711809284599, -1.1098743245853524], [-0.2512288669284795, 4.886594052536622, -1.1224809786950447], [-0.020606416250171, 0.0005383085365602, 11.218252760572762]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.93613601692261,0.0,-1.1113730263873305],[-0.25214203128636303,4.935484451970523,-1.1338666525847985],[0.0,0.0,11.32503596]],"pbc":[true,true,true],"a":5.05970244,"b":5.07032898,"c":11.32503596,"alpha":102.92220257999999,"beta... | 0.003011 | 0.003012 | [
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0.014412... | 6 | 6 | 0.209647 | 0.073015 | 0.214588 | 0.068431 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
cd-251207-d154813a29df47a7a08bdfc97c157cec | Mo6 W3 | Mo12 W6 | Cm | 8 | 0.000089 | 2026-01-27 09:28:07 | 1,064 | 5.515002 | 4.924939 | 4.828712 | 0.590063 | 0.096228 | 0.68629 | 0.68629 | -104.660537 | 2.313082 | 1.928582 | 1.503082 | -104.0224 | 0.002374 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.05675124215695, -0.0011383100897848, -0.7080964853201741], [-0.5167652162734278, 6.606333100843583, -2.1470284136043185], [0.0203103069748804, 0.0077716548777258, 6.8211467189496675]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.091289665766852,0.0,-0.7281661535426043],[-0.5151136786214017,6.737308540065297,-2.1859926744522205],[0.0,0.0,6.92537738]],"pbc":[true,true,true],"a":3.17589322,"b":7.101776710000001,"c":6.92537738,"alpha":107.92725616,"beta"... | 1.914915 | 2.313082 | [
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0.49662712090513... | 6 | 6 | 0.967607 | 2.230782 | 1.02311 | 2.355426 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=04-step=0195.ckpt |
cd-251023-daf8c0cb50f84982ad86641b0e764b6c | Hf18 O2 | Hf18 O2 | P2_1/m | 11 | 0.000561 | 2026-01-26 18:07:09 | 1,064 | 3.570547 | 4.025526 | 4.090984 | 0.454978 | 0.065459 | 0.520437 | 0.520437 | -198.955691 | 4.355607 | 4.224802 | 4.172236 | -199.418518 | 0.009092 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.431285602282949, -0.0002159378461017, -0.0001020631170378], [0.0003468104632606, 6.849986633583511, -1.5029890807802055], [-0.0005289656406602, -0.0048818490789742, 12.959806528093964]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.496679929284622,0.0,0.00008021004096418345],[0.0006285312048526278,6.945725143821119,-1.5213714087669943],[0.0,0.0,13.14088598]],"pbc":[true,true,true],"a":4.49667993,"b":7.110391629999999,"c":13.14088598,"alpha":102.35478404... | 4.250882 | 4.355607 | [
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0.036511191696... | 6 | 6 | 0.340609 | 3.659162 | 0.326641 | 3.572679 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v2 |
cd-251201-d5a29407dbc64e71a9d1df187a68fd0d | Tl4 Te6 | Tl4 Te6 | Immm | 71 | -0.000238 | 2026-01-26 23:35:38 | 1,064 | 7.350922 | 7.071015 | 3.5959 | 0.279908 | 3.475115 | 3.755022 | 3.755022 | -29.732906 | 1.32833 | 1.698985 | 0.399497 | -29.849728 | 0.012393 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.3459364427965905, 0.0023598957392056, -0.0019899043704085], [-0.0037214970907309, 8.253191941414793, 0.0101602967492807], [0.0063506713189658, 0.0110394779772117, 10.108815619203337]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.41950207305595,0.0,-0.004669618267980389],[-0.008263093370129952,8.014133131136104,0.0013215978415164777],[0.0,0.0,10.02867205]],"pbc":[true,true,true],"a":4.41950454,"b":8.014137500000002,"c":10.02867205,"alpha":89.99055145,... | 1.142271 | 1.698985 | [
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0.039327... | 1 | 1 | 2.242938 | 1.425951 | 2.121901 | 1.418849 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251023-3691385477a644a4bbaab61ec62fc76b | Ta2 Nb8 | Ta2 Nb8 | P2_1/m | 11 | 0.000016 | 2026-01-26 18:49:51 | 1,064 | 3.266313 | 2.975827 | 3.391548 | 0.290486 | 0.415721 | 0.125235 | 0.415721 | -105.272292 | 4.024537 | 5.36187 | 2.412364 | -104.549843 | 0.006766 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.6315005436307315, -0.0001080677448099, -0.0002595776547101], [-3.9493162261e-05, 5.2741927683121625, -1.1221139878010222], [2.81726411685e-05, 0.0004061205960492, 7.117134843006692]], "pbc": [true, true, true], "a": 4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.6928920415400945,0.0,-0.00028178510588191863],[0.00008816293942029577,5.385290573211556,-1.140649204330235],[0.0,0.0,7.23253451]],"pbc":[true,true,true],"a":4.69289205,"b":5.50476477,"c":7.23253451,"alpha":101.9589744,"beta":... | 3.932924 | 5.36187 | [
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-0.01052425803562... | [
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-0.030119978920... | 6 | 6 | 0.929552 | 2.773656 | 0.957877 | 2.727678 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
cd-251120-9768bea642184513a329990b765a6285 | Mo1 W1 S4 | Mo2 W2 S8 | Cm | 8 | 0.000001 | 2026-01-27 10:38:26 | 1,064 | 2.829583 | 2.829654 | 2.069572 | 0.000071 | 0.760081 | 0.76001 | 0.760081 | -45.509552 | 0.0352 | 0.035216 | 0.005484 | -45.41053 | 0.00497 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.166709247278913, 0.0005961451319351, -0.0481180298510688], [-1.5842006378861466, 2.7424190959891117, 0.0004725906218066], [-0.0077386920564226, -0.0720047914413438, 28.183385068321826]], "pbc": [true, true, true], "a"... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.189690433468594,0.0,-0.047624591865272646],[-1.5961283395480081,2.761604112137864,0.006695810817095612],[0.0,0.0,28.42920617]],"pbc":[true,true,true],"a":3.1900459499999996,"b":3.1896908600000002,"c":28.42920617,"alpha":89.87... | 0.0253 | 0.035216 | [
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0.22079855956... | 6 | 6 | 0.851388 | 0.038813 | 0.846064 | 0.04668 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251116-7be26c8de41d4ea8bd1442eb63e35399 | Mo7 W1 | Mo7 W1 | P2/m | 10 | 0.000053 | 2026-01-27 07:29:17 | 1,064 | 6.250329 | 7.035652 | 5.230196 | 0.785323 | 1.805456 | 1.020133 | 1.805456 | -89.63733 | 1.43858 | 1.60683 | 3.254543 | -88.923981 | 0.001938 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7223633005602355, -0.0015184330824891, -5.51361930014e-05], [-1.817808643758315, 5.129868552350716, -3.88558746808e-05], [5.11211785293e-05, 8.5952823578e-06, 8.744061692129664]], "pbc": [true, true, true], "a": 2.722... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[2.747274089040285,0.0,-0.00007261680970541903],[-1.831552482590997,5.178232178806323,-0.000036389968124611416],[0.0,0.0,8.96840163]],"pbc":[true,true,true],"a":2.7472740900000003,"b":5.49260166,"c":8.96840163,"alpha":90.0003796... | 2.099985 | 3.254543 | [
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0.4832074561... | 6 | 6 | 0.820388 | 2.187596 | 0.877504 | 2.314243 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v5 |
cd-251207-5c3a5186dd3f4b59b7ecc05e389ca932 | Hf10 C7 N3 | Hf10 C7 N3 | P2/m | 10 | 0.000035 | 2026-01-27 04:38:35 | 1,064 | 3.488008 | 0.908088 | 0.908518 | 2.57992 | 0.00043 | 2.57949 | 2.57992 | -214.367102 | 0.808269 | 3.255522 | 3.847311 | -214.179947 | 0.00279 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2544895955166004, 8.53214562887e-05, -1.03183018433e-05], [-0.0001232606185658, 5.5548510373073405, 0.7799530691940012], [-0.0007348652887283, -0.0039034160065017, 13.351172242232236]], "pbc": [true, true, true], "a":... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.2658922655950016,0.0,0.0001696245854584182],[-0.00022766797080294663,5.601316540282533,0.7883686307538347],[0.0,0.0,13.46721282]],"pbc":[true,true,true],"a":3.26589227,"b":5.65652474,"c":13.46721282,"alpha":81.98841541,"beta"... | 2.637034 | 3.847311 | [
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0.2842... | 6 | 6 | 0.901258 | 1.814994 | 1.003814 | 1.922648 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=644-step=25155.ckpt |
cd-251207-e6d50db59c384d439851236839d64bc2 | Na1 La1 C2 N4 | Na1 La1 C2 N4 | P2/m | 10 | null | 2026-01-27 05:44:44 | 1,064 | 2.384484 | 2.03023 | 1.728845 | 0.354254 | 0.301386 | 0.655639 | 0.655639 | -63.552023 | 0.008073 | 0.005935 | 0.002111 | -63.576077 | 0.007147 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.415815739349338, 0.0575539250669169, -0.0010967704460592], [-7.850259815590463, 5.9031864691524305, 0.001511506160906], [-0.000197029316365, 0.0003951408809391, 3.950932408217328]], "pbc": [true, true, true], "a": 5.4... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[5.458009597503551,0.0,-0.0008259615214132846],[-7.976011379269341,6.102922371031781,0.0005032611460044778],[0.0,0.0,3.96414869]],"pbc":[true,true,true],"a":5.458009659999999,"b":10.04302839,"c":3.96414869,"alpha":89.99712888000... | 0.005373 | 0.008073 | [
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0.06319... | 6 | 6 | 0.485433 | 0.031495 | 0.488913 | 0.033192 | crystal-diffusers | optical-anisotropy_12-04_03-35/epoch=814-step=31785.ckpt |
cd-251201-6b22e93fb98842959d3f274f7aafb216 | Ca2 Nb4 N6 | Ca2 Nb4 N6 | P2_1/m | 11 | -0.000329 | 2026-01-26 23:47:15 | 1,064 | 3.363845 | 3.470082 | 4.15182 | 0.106237 | 0.681738 | 0.787975 | 0.787975 | -108.508716 | 2.620201 | 1.93798 | 1.851839 | -107.697891 | 0.013055 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.13174847732396, 3.29862949114e-05, 2.4333523573e-05], [5.9940837724e-06, 5.404051136449898, -1.2211255918930177], [-6.24364894079e-05, -0.0190888878901814, 8.331045665700934]], "pbc": [true, true, true], "a": 3.131748... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[3.1566761296375363,0.0,0.0000478368076422791],[-0.000060441043753779204,5.489071452210874,-1.2293387516453844],[0.0,0.0,8.47312029]],"pbc":[true,true,true],"a":3.1566761299999997,"b":5.62504926,"c":8.47312029,"alpha":102.623717... | 2.136673 | 2.620201 | [
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0.0794... | 6 | 6 | 0.58887 | 1.572992 | 0.794428 | 1.627916 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
cd-251120-563c7476162b4862beafbc54093073cc | Ge1 Sb4 Te7 | Ge3 Sb12 Te21 | R3m | 160 | 0.000001 | 2026-01-27 10:27:42 | 1,064 | 7.201347 | 8.172474 | 8.605854 | 0.971127 | 0.43338 | 1.404507 | 1.404507 | -44.474636 | 2.770037 | 3.056883 | 1.830498 | -44.486557 | 0.005028 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.28824573084857, 0.0005493019827343, 0.0123078060629313], [-2.1434323545924787, 3.6889820221614693, -0.3955199561897021], [-0.0163074503224946, 0.0285139019087366, 24.263722874538846]], "pbc": [true, true, true], "a": ... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.324228177810355,0.0,0.015224923176893416],[-2.1621446344616584,3.719803242809708,-0.4019498001335559],[0.0,0.0,24.30112819]],"pbc":[true,true,true],"a":4.32425498,"b":4.3212694,"c":24.30112819,"alpha":95.33717401,"beta":89.79... | 2.552473 | 3.056883 | [
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0.0857705886257... | [
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0.0865149... | 1 | 1 | 1.037485 | 2.236873 | 0.897609 | 2.367966 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v4 |
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