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mtgn_2863608_K3Al2O5 | K3 Al2 O5 | K6 Al4 O10 | C2 | 5 | null | 2025-11-13 21:34:04 | 1,064 | 1.402671 | 1.348955 | 1.211967 | 0.053715 | 0.136988 | 0.190703 | 0.190703 | -56.735048 | 0.213272 | 0.181881 | 0.380085 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.046016354940798, 0.0254507298015582, 2.024952747739875], [2.112198981512176, 4.757124635879948, 1.972299654835741], [0.0902596335675524, 0.0070411308654085, 7.054463979402983]], "pbc": [true, true, true], "a": 5.43722... | null | 0.258413 | 0.380085 | null | [
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-0.05... | null | 0 | null | null | 0.079144 | 0.003854 | mattergen | mattergen_base |
mtgn_2858607_K2Sr1Os1N4 | K2 Sr1 Os1 N4 | K4 Sr2 Os2 N8 | I-4 | 82 | null | 2025-11-13 22:48:24 | 1,064 | 2.492265 | 2.489465 | 2.484241 | 0.002801 | 0.005224 | 0.008025 | 0.008025 | -50.064878 | 0.028047 | 0.027114 | 0.025541 | -50.248665 | 0.004453 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.18315697493085, -0.0112036962412061, -2.858716094454069], [-1.566959809408212, 4.941304526269979, -2.8603650789561934], [0.1776201382246979, 0.2465024991538981, 6.4543581539651385]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.18315697493085, -0.011203696241206117, -2.858716094454069], [-1.566959809408212, 4.941304526269979, -2.8603650789561934], [0.17762013822469785, 0.2465024991538981, 6.4543581539651385]], "pbc": [true, true, true], "a":... | 0.026901 | 0.028047 | [
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... | 6 | 6 | 0.530488 | 0.472585 | 0.530202 | 0.475718 | mattergen | mattergen_base |
mtgn_3490544_K2Sc1In1O4 | K2 Sc1 In1 O4 | K4 Sc2 In2 O8 | I-4 | 82 | 0.005246 | 2025-11-13 23:41:27 | 1,064 | 1.84394 | 1.839406 | 1.834615 | 0.004534 | 0.00479 | 0.009324 | 0.009324 | -47.555622 | 0.003634 | 0.003642 | 0.003652 | -48.061897 | 0.007355 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1677546593662935, -0.1024474525559503, -3.101010881036573], [-3.4889652917340004, 4.912564393260023, 0.1710770315003678], [-0.0708308430055664, 0.1029691482248945, 6.026512050577914]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1677546593662935, -0.10244745255595034, -3.101010881036573], [-3.4889652917340004, 4.912564393260023, 0.1710770315003678], [-0.07083084300556643, 0.10296914822489452, 6.026512050577914]], "pbc": [true, true, true], "a... | 0.003643 | 0.003652 | [
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mtgn_3372705_K3Tl1I4 | K3 Tl1 I4 | K6 Tl2 I8 | Cmmm | 65 | 0.000027 | 2025-11-13 19:21:42 | 1,064 | 1.931379 | 1.929851 | 1.930369 | 0.001528 | 0.000518 | 0.00101 | 0.001528 | -21.821301 | 0.005126 | 0.005078 | 0.005077 | -22.05703 | 0 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.053675332811371, 0.0062399864930344, -0.0033432064745307], [-0.0135747526170037, 8.238393795377808, -2.9183217038928624], [0.007579446084688, 0.0111525510135636, 8.736092821915804]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.053675332811371, 0.006239986493034429, -0.0033432064745306713], [-0.013574752617003706, 8.238393795377808, -2.9183217038928624], [0.007579446084688018, 0.011152551013563551, 8.736092821915804]], "pbc": [true, true, tr... | 0.005094 | 0.005126 | [
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0.01177... | 1 | 1 | 0.119122 | 0.083591 | 0.119122 | 0.083591 | mattergen | mattergen_base |
mtgn_2883922_K3Rb1O4 | K3 Rb1 O4 | K6 Rb2 O8 | Cm | 8 | 0.000645 | 2025-11-13 19:51:47 | 1,064 | 1.654482 | 1.696587 | 1.648246 | 0.042105 | 0.048342 | 0.006236 | 0.048342 | -32.193826 | 0.003203 | 0.002829 | 0.003671 | -32.449978 | 0.005153 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.879562773506006, 0.1083570120706807, -0.9984001100813795], [-1.9022429322154235, 4.4272955521370605, -1.2572282020397654], [0.0323278869060718, -0.025718619349035, 7.6540144469208835]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.879562773506006, 0.10835701207068073, -0.9984001100813795], [-1.9022429322154235, 4.4272955521370605, -1.2572282020397654], [0.03232788690607178, -0.02571861934903503, 7.6540144469208835]], "pbc": [true, true, true], ... | 0.003234 | 0.003671 | [
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mtgn_3575307_K2Si1F6 | K2 Si1 F6 | K2 Si1 F6 | P-31m | 162 | 0.006388 | 2025-11-13 23:20:14 | 1,064 | 1.388668 | 1.400107 | 1.400143 | 0.011439 | 0.000036 | 0.011474 | 0.011474 | -46.086965 | 0.000324 | 0.000357 | 0.000357 | -46.678421 | 0.000786 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.836551179160734, -0.0028471023208474, 0.0117674344104869], [0.0016238666375103, 5.081416504148434, 2.94370357804357], [-0.009386990232456, -0.0060981267205457, 5.873153183397795]], "pbc": [true, true, true], "a": 4.83... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.836551179160734, -0.0028471023208473693, 0.011767434410486851], [0.00162386663751035, 5.081416504148434, 2.94370357804357], [-0.009386990232455967, -0.006098126720545687, 5.873153183397795]], "pbc": [true, true, true]... | 0.000346 | 0.000357 | [
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-0.15... | 9 | 9 | 0.041323 | 0.008079 | 0.041572 | 0.008461 | mattergen | mattergen_base |
mtgn_3337994_K2Pt1Cl6 | K2 Pt1 Cl6 | K2 Pt1 Cl6 | P-3m1 | 164 | 0.001084 | 2025-11-14 00:32:10 | 1,064 | 2.023852 | 2.11034 | 2.110648 | 0.086488 | 0.000308 | 0.086796 | 0.086796 | -29.769769 | 0.008672 | 0.01161 | 0.011608 | -30.102713 | 0.015358 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.03838406279943, -0.0011129336660968, 0.022151951872676], [0.0105846509503699, 6.051682188480984, 3.503509297629599], [-0.0021645930005066, -0.0055287981568924, 6.992513221473351]], "pbc": [true, true, true], "a": 6.03... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.038863376014121, -0.0011685296596071297, 0.0220502520979672], [0.010467976389312825, 6.053165165927075, 3.5043441784017393], [-0.002288825833473707, -0.005565074250287847, 6.994240294000612]], "pbc": [true, true, true... | 0.01063 | 0.01161 | [
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0.01... | 6 | 6 | 0.340729 | 0.086519 | 0.344503 | 0.087868 | mattergen | mattergen_base |
mtgn_3289661_K2Tl1Cd4Sb3 | K2 Tl1 Cd4 Sb3 | K2 Tl1 Cd4 Sb3 | P-4m2 | 115 | 0.002527 | 2025-11-13 22:24:08 | 1,064 | 3.638812 | 3.716473 | 3.983486 | 0.077661 | 0.267013 | 0.344674 | 0.344674 | -22.045491 | 3.475709 | 3.347771 | 1.332464 | -22.881027 | 0.010385 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.196699458558058, 0.0060128370185333, -0.0042454327221761], [-0.0052310628959075, 5.198733629520631, -0.002645539175045], [0.0093456447611358, 0.0066815475110694, 11.826360174257239]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.196699458558058, 0.00601283701853329, -0.004245432722176126], [-0.005231062895907499, 5.198733629520631, -0.002645539175044976], [0.009345644761135802, 0.006681547511069397, 11.826360174257239]], "pbc": [true, true, t... | 2.718648 | 3.475709 | [
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mtgn_3297075_K2Sn1Te1O6 | K2 Sn1 Te1 O6 | K6 Sn3 Te3 O18 | R3 | 146 | -0.00317 | 2025-11-13 22:55:57 | 1,064 | 1.917711 | 1.923335 | 1.875183 | 0.005624 | 0.048152 | 0.042528 | 0.048152 | -54.141376 | 0.004146 | 0.004237 | 0.003546 | -54.315247 | 0.0031 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.059292313945436, -0.0013916297680258, 2.1993636824979865], [2.057331640321585, 4.624613571618203, 2.1953140389792627], [0.0012670496898277, 0.0052216661873309, 6.922486239779934]], "pbc": [true, true, true], "a": 5.51... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.059292313945436, -0.0013916297680258325, 2.1993636824979865], [2.057331640321585, 4.624613571618203, 2.1953140389792627], [0.0012670496898277458, 0.0052216661873308945, 6.922486239779934]], "pbc": [true, true, true], ... | 0.003976 | 0.004237 | [
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mtgn_2881310_K2Pd1Cl6 | K2 Pd1 Cl6 | K2 Pd1 Cl6 | P312 | 149 | 0.007849 | 2025-11-14 00:46:25 | 1,064 | 2.11761 | 2.109131 | 2.109606 | 0.008479 | 0.000475 | 0.008004 | 0.008479 | -28.057692 | 0.023918 | 0.025176 | 0.025242 | -28.120337 | 0.00704 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.3912119033748205, -0.0036188268382336, -0.0045232637427996], [0.0078840969813917, 6.380915875066535, 3.6633824124088608], [0.0076635479986831, 0.0106469715837143, 7.3670110335136]], "pbc": [true, true, true], "a": 6.3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.3912119033748205, -0.0036188268382335567, -0.004523263742799619], [0.00788409698139165, 6.380915875066535, 3.6633824124088608], [0.007663547998683126, 0.010646971583714263, 7.3670110335136]], "pbc": [true, true, true]... | 0.024779 | 0.025242 | [
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-0.006... | 6 | 6 | 0.205967 | 0.047957 | 0.207348 | 0.048715 | mattergen | mattergen_base |
mtgn_718676_K2Rb1N3 | K2 Rb1 N3 | K4 Rb2 N6 | Imm2 | 44 | 0.007165 | 2025-11-14 00:42:13 | 1,064 | 1.331995 | 1.746389 | 2.402008 | 0.414395 | 0.655618 | 1.070013 | 1.070013 | -28.097807 | 0.606309 | 1.604081 | 2.362253 | -28.472607 | 0.040187 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.143926627426813, -0.002342988417381, 1.5275309890659239], [-0.60657071025589, 8.435827742552933, 8.009963676884432], [-1.6999534047333054, 3.539871389659796, 10.967244888704492]], "pbc": [true, true, true], "a": 4.416... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.143926627426813, -0.0023429884173810497, 1.5275309890659239], [-0.60657071025589, 8.435827742552933, 8.009963676884432], [-1.6999534047333054, 3.539871389659796, 10.967244888704492]], "pbc": [true, true, true], "a": 4... | 1.524214 | 2.362253 | [
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-0.00... | 6 | 6 | 0.602419 | 0.825671 | 0.624391 | 0.801667 | mattergen | mattergen_base finetuned on dn and k_1064 (NOEMD) |
mtgn_3424276_K2Pd1F6 | K2 Pd1 F6 | K2 Pd1 F6 | P-31m | 162 | 0.005306 | 2025-11-14 00:41:34 | 1,064 | 1.681611 | 1.71424 | 1.714765 | 0.032628 | 0.000525 | 0.033153 | 0.033153 | -36.801949 | 0.004133 | 0.0042 | 0.004199 | -37.170444 | 0.005452 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.965942965927732, -0.0114964864477887, 0.0012802411595334], [0.0212240336963591, 5.3539717164896015, -3.076914400045289], [-0.0126815273544658, -0.0134978179228537, 6.187575262152072]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.965942965927732, -0.011496486447788726, 0.0012802411595334215], [0.02122403369635914, 5.3539717164896015, -3.076914400045289], [-0.012681527354465774, -0.013497817922853716, 6.187575262152072]], "pbc": [true, true, tr... | 0.004177 | 0.0042 | [
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-0.... | 6 | 6 | 0.189864 | 0.127213 | 0.195047 | 0.118789 | mattergen | mattergen_base |
mtgn_3074575_K2Pd1Cl4 | K2 Pd1 Cl4 | K4 Pd2 Cl8 | I4/mmm | 139 | 0.0004 | 2025-11-14 00:46:35 | 1,064 | 1.889137 | 1.815413 | 1.818193 | 0.073724 | 0.00278 | 0.070944 | 0.073724 | -24.377845 | 0.00614 | 0.005013 | 0.00506 | -24.401499 | 0.002377 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.024825703785341, -0.0071573047513736, -2.720433710949099], [-3.5018647768464892, 5.48199109374835, -1.179363854966137], [-0.0019098022408009, 0.002216728139309, 6.6109733486059605]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.024825703785341, -0.007157304751373615, -2.720433710949099], [-3.5018647768464892, 5.48199109374835, -1.179363854966137], [-0.0019098022408008941, 0.0022167281393090073, 6.6109733486059605]], "pbc": [true, true, true]... | 0.005404 | 0.00614 | [
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-0.0... | 6 | 6 | 0.184952 | 0.063855 | 0.187902 | 0.063755 | mattergen | mattergen_base |
mtgn_591764_Cs1K1Hf1I6 | Cs1 K1 Hf1 I6 | Cs1 K1 Hf1 I6 | P312 | 149 | 0.002927 | 2025-11-14 10:19:00 | 1,064 | 2.000849 | 2.000899 | 2.003 | 0.00005 | 0.002101 | 0.002151 | 0.002151 | -31.724156 | 0.009796 | 0.009796 | 0.010384 | -31.813953 | 0.004944 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.654122696423666, 0.0079509833209479, -0.0047197104523112], [-4.340103593476847, 7.490811763815183, 0.0013739574347039], [0.0018892053800617, -0.0049792024075201, 7.865826195048125]], "pbc": [true, true, true], "a": 8.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.654122696423666, 0.007950983320947938, -0.004719710452311192], [-4.340103593476847, 7.490811763815183, 0.0013739574347038683], [0.0018892053800617118, -0.004979202407520146, 7.865826195048125]], "pbc": [true, true, tr... | 0.009992 | 0.010384 | [
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0.02063... | 6 | 6 | 0.095645 | 0.023116 | 0.096082 | 0.024239 | mattergen | mattergen_base |
mtgn_675789_K2Ce1Re1N4 | K2 Ce1 Re1 N4 | K4 Ce2 Re2 N8 | I-4 | 82 | 0.006681 | 2025-11-14 07:41:43 | 1,064 | 2.212968 | 2.236769 | 2.279496 | 0.023801 | 0.042727 | 0.066528 | 0.066528 | -58.099815 | 0.301044 | 0.273743 | 0.246787 | -58.510708 | 0.003031 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.197905128948238, 0.0043904646427491, -2.9416328123941553], [-1.665631557142003, 4.921923668911697, -2.9455313159477705], [0.0949361021981403, 0.1329965745630985, 6.225808101267136]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.197905128948238, 0.004390464642749051, -2.9416328123941553], [-1.665631557142003, 4.921923668911697, -2.9455313159477705], [0.09493610219814033, 0.13299657456309852, 6.225808101267136]], "pbc": [true, true, true], "a"... | 0.273858 | 0.301044 | [
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-0.... | 6 | 6 | 0.441622 | 0.490044 | 0.443578 | 0.498293 | mattergen | mattergen_base |
mtgn_3669033_K2Cu3S3 | K2 Cu3 S3 | K4 Cu6 S6 | Cm | 8 | 0.004151 | 2025-11-14 09:27:55 | 1,064 | 2.161576 | 2.1989 | 2.313316 | 0.037324 | 0.114416 | 0.15174 | 0.15174 | -30.475081 | 0.149035 | 0.06451 | 0.076362 | -31.711615 | 0.020763 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8517081413189214, 0.0007648434040174, 0.9669306517776476], [1.353478259532088, 5.7902089458422665, 2.7617437714357216], [-0.0467833521216356, -0.1109682265557361, 8.304504988492644]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8517081413189214, 0.0007648434040174054, 0.9669306517776476], [1.353478259532088, 5.7902089458422665, 2.7617437714357216], [-0.046783352121635625, -0.11096822655573609, 8.304504988492644]], "pbc": [true, true, true], ... | 0.096636 | 0.149035 | [
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mtgn_3462799_K4Ag6 | K4 Ag6 | K8 Ag12 | Cmce | 64 | -0.000782 | 2025-11-14 09:20:25 | 1,064 | 2.976286 | 3.305393 | 3.954144 | 0.329107 | 0.648751 | 0.977857 | 0.977857 | -20.649723 | 1.613437 | 2.260337 | 1.953318 | -21.609709 | 0.020289 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.514465217882226, 0.053155814345776, 0.0018193897529195], [2.5048473672777862, 5.1899404812801135, 0.007590145887328], [-0.0073235314785637, -0.0154003705288588, 9.068950947255068]], "pbc": [true, true, true], "a": 6.5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.514465217882226, 0.05315581434577604, 0.0018193897529195124], [2.5048473672777862, 5.1899404812801135, 0.0075901458873279615], [-0.0073235314785637376, -0.015400370528858797, 9.068950947255068]], "pbc": [true, true, t... | 1.942364 | 2.260337 | [
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mtgn_668495_K2Ag4O4 | K2 Ag4 O4 | K2 Ag4 O4 | P2_1/m | 11 | 0.004557 | 2025-11-14 09:53:48 | 1,064 | 2.395674 | 2.807905 | 2.405425 | 0.412231 | 0.40248 | 0.009751 | 0.412231 | -37.876632 | 0.061277 | 0.248655 | 0.068325 | -38.367111 | 0.01444 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.072571439554179, 0.0105212203627183, 1.9231976240361588], [-0.0096262995641682, 6.544319215198027, -0.00988823806017], [-0.0891190956570624, 0.0099489646891128, 6.622777321202876]], "pbc": [true, true, true], "a": 5.4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.072571439554179, 0.010521220362718287, 1.9231976240361588], [-0.00962629956416819, 6.544319215198027, -0.009888238060170031], [-0.08911909565706244, 0.009948964689112822, 6.622777321202876]], "pbc": [true, true, true]... | 0.126086 | 0.248655 | [
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-... | 6 | 6 | 0.467141 | 0.371397 | 0.480423 | 0.354684 | mattergen | mattergen_base |
mtgn_2925934_K2Pd1Au1O6 | K2 Pd1 Au1 O6 | K2 Pd1 Au1 O6 | P-3m1 | 164 | 0.016397 | 2025-11-14 01:35:54 | 1,064 | 2.168102 | 2.168179 | 2.964007 | 0.000077 | 0.795827 | 0.795905 | 0.795905 | -46.033852 | 0.262234 | 0.262109 | 0.030584 | -45.792572 | 0.008788 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.919134998257698, -0.0044160161285905, -0.0013603249017775], [-2.9551063009121377, 5.125600622688958, 0.0060461626800148], [0.0010574680315091, 0.0043967810458123, 5.476768535926466]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.919134998257698, -0.004416016128590473, -0.0013603249017774528], [-2.9551063009121377, 5.125600622688958, 0.0060461626800147545], [0.0010574680315091013, 0.004396781045812334, 5.476768535926466]], "pbc": [true, true, ... | 0.184976 | 0.262234 | [
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mtgn_3533892_K2Ca1Hf1O4 | K2 Ca1 Hf1 O4 | K2 Ca1 Hf1 O4 | P2/m | 10 | 0.002188 | 2025-11-14 07:56:06 | 1,064 | 1.943093 | 1.928162 | 1.905153 | 0.014931 | 0.023009 | 0.03794 | 0.03794 | -54.844411 | 0.003088 | 0.002904 | 0.002861 | -54.998726 | 0.001876 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3441521881522163, -0.0010385367107913, -0.0003155699782642], [0.0017088032189367, 5.644644975760013, -1.8103723250343968], [0.000990353046869, -0.0165392761845678, 6.494327510429288]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3441521881522163, -0.0010385367107912627, -0.0003155699782642453], [0.0017088032189367234, 5.644644975760013, -1.8103723250343968], [0.0009903530468689586, -0.016539276184567783, 6.494327510429288]], "pbc": [true, tru... | 0.002951 | 0.003088 | [
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-0.02... | 0 | 0 | 0.018216 | 0.010988 | 0.018634 | 0.01054 | mattergen | mattergen_base |
mtgn_3504438_K4Hg2S4 | K4 Hg2 S4 | K4 Hg2 S4 | Pbam | 55 | 0.001951 | 2025-11-14 06:11:33 | 1,064 | 1.905682 | 2.519225 | 2.130673 | 0.613544 | 0.388552 | 0.224992 | 0.613544 | -29.430607 | 0.004723 | 0.013992 | 0.008331 | -29.966934 | 0.018052 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.206920870881591, 0.0005352199619756, -0.000405605123502], [-0.0010485901673667, 7.71736769519572, 0.0020088072986667], [0.0009855256635775, -0.0042689890363016, 9.478104319404943]], "pbc": [true, true, true], "a": 4.2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.206920870881591, 0.0005352199619756278, -0.0004056051235020053], [-0.0010485901673667113, 7.71736769519572, 0.0020088072986666917], [0.0009855256635775442, -0.00426898903630155, 9.478104319404943]], "pbc": [true, true... | 0.009015 | 0.013992 | [
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0.0073... | 6 | 6 | 0.253672 | 0.055484 | 0.257734 | 0.058406 | mattergen | mattergen_base |
mtgn_2950789_K1Ba2H2 | K1 Ba2 H2 | K2 Ba4 H4 | I4/mmm | 139 | 0.002267 | 2025-11-14 09:40:57 | 1,064 | 1.839539 | 1.845607 | 1.423722 | 0.006068 | 0.421885 | 0.415817 | 0.421885 | -12.97925 | 1.649789 | 1.639623 | 2.851891 | -13.074158 | 0.006273 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.334654203581371, 0.001125531633595, -0.9132219175634559], [-0.1918158684948142, 4.3346953942367135, -0.9068825470577643], [-0.0409042157775936, -0.0586751267490832, 10.514851876725826]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.334654203581371, 0.0011255316335950054, -0.9132219175634559], [-0.19181586849481422, 4.3346953942367135, -0.9068825470577643], [-0.040904215777593574, -0.05867512674908323, 10.514851876725826]], "pbc": [true, true, tr... | 2.047101 | 2.851891 | [
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mtgn_776300_K2Pb1Cl4 | K2 Pb1 Cl4 | K4 Pb2 Cl8 | C2/m | 12 | 0.002089 | 2025-11-14 02:00:23 | 1,064 | 1.784184 | 1.77601 | 1.760372 | 0.008174 | 0.015638 | 0.023812 | 0.023812 | -24.356042 | 0.003363 | 0.003266 | 0.003124 | -24.622267 | 0.008501 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.469576584630992, 0.000101781935628, 0.0014328765675127], [-2.2371908483186087, 6.918992767224211, -2.0422623698534523], [-0.001422995306793, 0.0200920661525015, 8.150881888348758]], "pbc": [true, true, true], "a": 4.4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.469576584630992, 0.00010178193562800496, 0.0014328765675127393], [-2.2371908483186087, 6.918992767224211, -2.0422623698534523], [-0.0014229953067929737, 0.02009206615250155, 8.150881888348758]], "pbc": [true, true, tr... | 0.003251 | 0.003363 | [
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-0.044... | 6 | 6 | 0.058608 | 0.02779 | 0.057847 | 0.02778 | mattergen | mattergen_base |
mtgn_3605739_K4Cd2Te4 | K4 Cd2 Te4 | K8 Cd4 Te8 | C2/m | 12 | 0.004051 | 2025-11-14 07:37:33 | 1,064 | 2.627057 | 2.591764 | 2.594982 | 0.035293 | 0.003218 | 0.032075 | 0.035293 | -26.453172 | 0.250052 | 0.070994 | 0.03052 | -27.093563 | 0.014087 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.87656446720446, 0.0029967845534776, 0.000311847234416], [-2.4426486705939947, 7.064715916576597, 0.0420878058720399], [0.0006571161461724, 0.2550346113941628, 12.00717923971288]], "pbc": [true, true, true], "a": 4.876... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.876229996330881, 0.0029982684182967905, 0.00030874920378221173], [-2.4424788529803325, 7.064335532753616, 0.04324515610474426], [0.0006483429418217365, 0.2569869480130797, 12.006834218032736]], "pbc": [true, true, tru... | 0.117189 | 0.250052 | [
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mtgn_813582_Cs1K1Hf1F6 | Cs1 K1 Hf1 F6 | Cs1 K1 Hf1 F6 | P312 | 149 | 0.000434 | 2025-11-14 10:18:35 | 1,064 | 1.405774 | 1.415627 | 1.415557 | 0.009853 | 0.000071 | 0.009783 | 0.009853 | -54.002018 | 0.000569 | 0.0006 | 0.0006 | -54.506802 | 0.001244 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.004986510187605, 0.0007347626486407, 0.0023434102891257], [-0.0038385261159223, 5.653127830549196, 3.2472050961510828], [0.001109350373066, 0.0042570187601434, 6.519007673313797]], "pbc": [true, true, true], "a": 6.00... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.004986510187605, 0.0007347626486407297, 0.0023434102891256615], [-0.003838526115922295, 5.653127830549196, 3.2472050961510828], [0.0011093503730660488, 0.004257018760143376, 6.519007673313797]], "pbc": [true, true, tr... | 0.00059 | 0.0006 | [
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mtgn_3638030_K4Li2H2S2 | K4 Li2 H2 S2 | K4 Li2 H2 S2 | P2_1/m | 11 | null | 2025-11-14 05:13:45 | 1,064 | 1.905707 | 1.926998 | 1.923414 | 0.021291 | 0.003584 | 0.017707 | 0.021291 | -31.018066 | 0.004355 | 0.004748 | 0.004809 | -31.153963 | 0.009842 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.338382155049577, 0.0004631019212361, 0.0003378153569366], [-0.0007922335667218, 6.540593006718038, -1.791863983683149], [-8.1524169695e-05, 0.0555785786798958, 7.673973978823405]], "pbc": [true, true, true], "a": 4.33... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.338382155049577, 0.0004631019212361479, 0.0003378153569365508], [-0.0007922335667217737, 6.540593006718038, -1.791863983683149], [-8.152416969504624e-05, 0.05557857867989577, 7.673973978823405]], "pbc": [true, true, t... | 0.004638 | 0.004809 | [
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mtgn_3149454_K4Cd2Bi2 | K4 Cd2 Bi2 | K8 Cd4 Bi4 | Cmcm | 63 | -0.000016 | 2025-11-14 07:53:56 | 1,064 | 1.818606 | 2.769408 | 2.63611 | 0.950802 | 0.133298 | 0.817504 | 0.950802 | -15.47635 | 1.40429 | 0.794682 | 0.649366 | -16.712421 | 0.010167 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.45440401806168, -0.0032795813114381, -0.0064916465304316], [-0.0099100686279935, 6.889061383475844, -1.4254962775526632], [-0.0051050308456714, 0.0881422698699411, 7.034900987016362]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.45440401806168, -0.0032795813114381155, -0.0064916465304316225], [-0.009910068627993512, 6.889061383475844, -1.4254962775526632], [-0.005105030845671354, 0.08814226986994107, 7.034900987016362]], "pbc": [true, true, t... | 0.949446 | 1.40429 | [
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mtgn_653898_K2Cu1O2 | K2 Cu1 O2 | K4 Cu2 O4 | I4/mmm | 139 | 0.00559 | 2025-11-14 07:15:59 | 1,064 | 1.776447 | 1.825101 | 3.59529 | 0.048654 | 1.770189 | 1.818843 | 1.818843 | -20.863756 | 0.123955 | 0.135253 | 0.476457 | -21.381931 | 0.006497 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8144414191552354, -0.005787449580977, -1.1205736325786315], [-0.3252400929581361, 3.8002772758244223, -1.1242336021845658], [0.0133764583587146, 0.0195835036911918, 7.088702857638825]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8144414191552354, -0.005787449580977024, -1.1205736325786315], [-0.3252400929581361, 3.8002772758244223, -1.1242336021845658], [0.013376458358714583, 0.019583503691191807, 7.088702857638825]], "pbc": [true, true, true... | 0.245222 | 0.476457 | [
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mtgn_3586786_K4In2Bi4 | K4 In2 Bi4 | K8 In4 Bi8 | C2/m | 12 | 0.000503 | 2025-11-14 06:10:39 | 1,064 | 3.639837 | 3.07969 | 4.732643 | 0.560147 | 1.652953 | 1.092806 | 1.652953 | -27.947861 | 0.872704 | 1.552705 | 1.88717 | -28.612518 | 0.015507 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.89993390897288, 2.39387784618e-05, 1.2828500326350485], [2.298774430699444, 7.083873951703651, 1.2226721906279934], [-0.3387444954274498, 0.1208191343149394, 11.294999292917403]], "pbc": [true, true, true], "a": 5.065... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.89993390897288, 2.3938778461797194e-05, 1.2828500326350485], [2.298774430699444, 7.083873951703651, 1.2226721906279934], [-0.3387444954274498, 0.12081913431493943, 11.294999292917403]], "pbc": [true, true, true], "a":... | 1.437526 | 1.88717 | [
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mtgn_3334416_K2C1N4 | K2 C1 N4 | K2 C1 N4 | P-1 | 2 | 0.009233 | 2025-11-14 08:18:54 | 1,064 | 1.551004 | 1.503168 | 1.435272 | 0.047835 | 0.067896 | 0.115732 | 0.115732 | -46.565097 | 0.060928 | 1.200298 | 1.084115 | -46.674088 | 0.036774 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.898933641223156, 0.0141500434909918, 0.0006094715090357], [0.0308560050913677, 5.653248187160527, 1.1130553955339695], [0.0106604611990536, 0.2854730898970428, 5.986773003183699]], "pbc": [true, true, true], "a": 3.89... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.898933641223156, 0.014150043490991847, 0.0006094715090357224], [0.030856005091367662, 5.653248187160527, 1.1130553955339695], [0.0106604611990536, 0.2854730898970428, 5.986773003183699]], "pbc": [true, true, true], "a... | 0.78178 | 1.200298 | [
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0.0559845... | 6 | 6 | 0.483505 | 0.043925 | 0.483838 | 0.043739 | mattergen | mattergen_base |
mtgn_867469_K4H2O2F2 | K4 H2 O2 F2 | K4 H2 O2 F2 | P2_1 | 4 | 0.001054 | 2025-11-14 06:32:39 | 1,064 | 1.522137 | 1.526925 | 1.514926 | 0.004788 | 0.011999 | 0.007211 | 0.011999 | -43.254408 | 0.001084 | 0.001048 | 0.001023 | -43.621731 | 0.010588 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9065746601991944, -0.0034517295711291, 0.001729083164276], [0.0052734211321256, 5.509056469768909, -0.7155089412126501], [-0.0006591225050073, 0.0351864642387701, 7.79991863424732]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9065746601991944, -0.0034517295711290648, 0.0017290831642760157], [0.005273421132125643, 5.509056469768909, -0.7155089412126501], [-0.0006591225050073443, 0.035186464238770074, 7.79991863424732]], "pbc": [true, true, ... | 0.001052 | 0.001084 | [
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mtgn_3482818_K4Hg2O4 | K4 Hg2 O4 | K8 Hg4 O8 | C2/m | 12 | 0.003576 | 2025-11-14 06:16:28 | 1,064 | 1.747945 | 2.065542 | 2.008844 | 0.317597 | 0.056698 | 0.260899 | 0.317597 | -34.672469 | 0.003661 | 0.008037 | 0.007442 | -35.230606 | 0.012055 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.50960045601755, 0.0052143496415396, -0.010299306443874], [-2.763867224499664, 5.550691712175539, -3.264425693855838], [0.0111845230711398, -0.0632485576017322, 7.685529953135994]], "pbc": [true, true, true], "a": 5.50... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.50960045601755, 0.005214349641539592, -0.01029930644387403], [-2.763867224499664, 5.550691712175539, -3.264425693855838], [0.01118452307113977, -0.0632485576017322, 7.685529953135994]], "pbc": [true, true, true], "a":... | 0.00638 | 0.008037 | [
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mtgn_754031_K2Au1I1O6 | K2 Au1 I1 O6 | K4 Au2 I2 O12 | C2/m | 12 | 0.004429 | 2025-11-14 08:44:52 | 1,064 | 1.866826 | 2.194759 | 1.850813 | 0.327933 | 0.343945 | 0.016012 | 0.343945 | -44.250251 | 0.006133 | 0.012917 | 0.010509 | -44.328312 | 0.035008 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.318571453498336, 0.0078626554209049, -2.649813055004726], [-0.9097785833967974, 5.6689891089583035, -1.7973557085573333], [-0.0221761384651375, 0.1672497013060245, 6.618907726023644]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.318571453498336, 0.007862655420904934, -2.649813055004726], [-0.9097785833967974, 5.6689891089583035, -1.7973557085573333], [-0.022176138465137486, 0.16724970130602446, 6.618907726023644]], "pbc": [true, true, true], ... | 0.009853 | 0.012917 | [
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mtgn_1293345_K2Ge1F6 | K2 Ge1 F6 | K2 Ge1 F6 | P312 | 149 | 0.00344 | 2025-11-14 06:46:03 | 1,064 | 1.391905 | 1.402997 | 1.402961 | 0.011092 | 0.000036 | 0.011056 | 0.011092 | -41.840107 | 0.000539 | 0.000535 | 0.000535 | -42.510078 | 0.002895 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.190528288239477, 0.000486036832956, -0.0016180197226724], [-0.0043035545679342, 5.319778109742846, -3.074472272175488], [0.0043507860160412, 0.0006631849830409, 6.145589836211604]], "pbc": [true, true, true], "a": 5.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.190528288239477, 0.0004860368329560044, -0.0016180197226723589], [-0.004303554567934191, 5.319778109742846, -3.074472272175488], [0.004350786016041205, 0.0006631849830408672, 6.145589836211604]], "pbc": [true, true, t... | 0.000536 | 0.000539 | [
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mtgn_3409871_K2H1I1O5 | K2 H1 I1 O5 | K2 H1 I1 O5 | P1 | 1 | 0.004471 | 2025-11-14 06:49:26 | 1,064 | 1.734017 | 1.754199 | 1.727632 | 0.020181 | 0.026566 | 0.006385 | 0.026566 | -40.554519 | 0.003979 | 0.003563 | 0.00356 | -40.697281 | 0.054225 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.252073082662189, 0.1783632884036281, 0.0596866059873811], [2.5508489671296117, 5.011034684454347, 3.277731251146996], [0.1471598736508186, -0.0454810183304714, 6.486182818013192]], "pbc": [true, true, true], "a": 5.25... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.252073082662189, 0.17836328840362806, 0.05968660598738107], [2.5508489671296117, 5.011034684454347, 3.277731251146996], [0.14715987365081856, -0.045481018330471426, 6.486182818013192]], "pbc": [true, true, true], "a":... | 0.003701 | 0.003979 | [
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mtgn_753338_K2Na1H6Ir1 | K2 Na1 H6 Ir1 | K2 Na1 H6 Ir1 | P-3m1 | 164 | -0.001096 | 2025-11-14 04:04:12 | 1,064 | 1.79073 | 1.790869 | 1.830906 | 0.00014 | 0.040037 | 0.040177 | 0.040177 | -36.376252 | 0.003602 | 0.003602 | 0.004233 | -36.439892 | 0.005104 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.810147898525083, 0.0022258537733133, 0.0032737663716104], [-2.90982667591494, 5.028090507053719, -0.004317728713871], [0.0029088015407428, -0.0023706231943066, 5.713817071787563]], "pbc": [true, true, true], "a": 5.81... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.810147898525083, 0.0022258537733133364, 0.0032737663716104377], [-2.90982667591494, 5.028090507053719, -0.004317728713870993], [0.002908801540742786, -0.0023706231943066004, 5.713817071787563]], "pbc": [true, true, tr... | 0.003812 | 0.004233 | [
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mtgn_3552096_K4Au2O4 | K4 Au2 O4 | K4 Au2 O4 | Pbam | 55 | 0.006655 | 2025-11-14 08:44:33 | 1,064 | 1.818907 | 3.523566 | 2.445453 | 1.704659 | 1.078113 | 0.626547 | 1.704659 | -39.44814 | 0.033482 | 0.423222 | 0.249483 | -39.623283 | 0.012562 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.623219912573923, -0.0043729143121028, 0.0002309213328209], [0.0070505467453263, 6.3914971909822205, 0.0042211816324256], [-0.0005650667844685, -0.0030898695876524, 8.753483457990697]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.620485114628137, -0.003975518248811124, 0.00023880356360937648], [0.007760014651825011, 6.4028646666116895, 0.0036063597993018985], [-0.0005468636286713482, -0.003936500151259499, 8.752003035328409]], "pbc": [true, tr... | 0.235396 | 0.423222 | [
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mtgn_3293572_K2Li1Ga1F6 | K2 Li1 Ga1 F6 | K2 Li1 Ga1 F6 | P4/mmm | 123 | 0.004676 | 2025-11-14 05:25:34 | 1,064 | 1.484386 | 1.499967 | 1.4999 | 0.015581 | 0.000067 | 0.015515 | 0.015581 | -45.977317 | 0.00064 | 0.0007 | 0.0007 | -46.497982 | 0.002548 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.02819095865082, 0.0115632891197677, -0.0099686438759271], [-0.0149806459903235, 5.803218954649459, -0.0282494382193306], [0.0159165237905445, 0.01694180152768, 5.804203383314585]], "pbc": [true, true, true], "a": 4.02... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.02819095865082, 0.011563289119767721, -0.009968643875927139], [-0.014980645990323484, 5.803218954649459, -0.028249438219330632], [0.015916523790544455, 0.016941801527680003, 5.804203383314585]], "pbc": [true, true, tr... | 0.00068 | 0.0007 | [
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mtgn_3338886_K2Mg1In1H6 | K2 Mg1 In1 H6 | K2 Mg1 In1 H6 | P4/mmm | 123 | 0.008665 | 2025-11-14 04:42:23 | 1,064 | 2.253052 | 2.55233 | 2.551666 | 0.299277 | 0.000663 | 0.298614 | 0.299277 | -27.197932 | 0.027296 | 0.071327 | 0.071424 | -27.710201 | 0.002374 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1318214050408395, -0.0317900482721614, 0.0317421534915832], [0.0453997163614349, 5.892623170180349, 0.0250519823600359], [-0.0451497324909288, -0.0246743415790906, 5.892923802228033]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1318214050408395, -0.03179004827216135, 0.03174215349158317], [0.04539971636143492, 5.892623170180349, 0.025051982360035925], [-0.045149732490928844, -0.024674341579090625, 5.892923802228033]], "pbc": [true, true, tru... | 0.056682 | 0.071424 | [
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mtgn_3486832_Cs3K1Ag2Sb2 | Cs3 K1 Ag2 Sb2 | Cs3 K1 Ag2 Sb2 | Pm | 6 | null | 2025-11-14 11:10:46 | 1,064 | 3.220692 | 3.18709 | 2.977846 | 0.033602 | 0.209244 | 0.242846 | 0.242846 | -20.449406 | 0.067517 | 0.079006 | 0.080427 | -20.77721 | 0.019042 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.742084931043534, -0.0006320098869134, 0.0010615148794077], [0.0067717817483422, 6.917410874638654, -2.0572708147952024], [-0.0063339637739919, 0.0784198726683486, 7.103669323418983]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.740385771586956, -0.0010671652783134978, 0.0009214348250277402], [0.006367267226588566, 6.916875245123734, -2.063431470464085], [-0.006485630492029386, 0.07212289916824646, 7.1037874033930155]], "pbc": [true, true, tr... | 0.07565 | 0.080427 | [
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mtgn_1387183_K2Cu1H6Rh1 | K2 Cu1 H6 Rh1 | K2 Cu1 H6 Rh1 | P-3m1 | 164 | 0.000004 | 2025-11-14 07:15:27 | 1,064 | 2.949957 | 1.98576 | 1.986062 | 0.964198 | 0.000302 | 0.963895 | 0.964198 | -35.906426 | 0.06517 | 0.011885 | 0.011933 | -36.291389 | 0.008708 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.92329780477335, 0.0016170981160877, 0.0040354569528098], [0.0027274406018026, 4.968186047451538, -2.868112625022465], [-0.0040351102562718, 9.03043140152e-05, 5.733836294089677]], "pbc": [true, true, true], "a": 4.923... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.92329780477335, 0.0016170981160877381, 0.004035456952809838], [0.0027274406018026444, 4.968186047451538, -2.868112625022465], [-0.004035110256271845, 9.030431401521824e-05, 5.733836294089677]], "pbc": [true, true, tru... | 0.029663 | 0.06517 | [
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mtgn_3355265_K2As1Br7 | K2 As1 Br7 | K6 As3 Br21 | R-3m | 166 | -0.001306 | 2025-11-14 09:50:03 | 1,064 | 1.590987 | 1.583123 | 1.657899 | 0.007864 | 0.074776 | 0.066912 | 0.074776 | -25.403983 | 0.200096 | 0.207312 | 0.142228 | -27.479111 | 0.042503 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.849413003798406, 0.001520044099878, -2.7454338194822197], [-3.97426909863985, 6.217674041424483, 0.0023583576788457], [1.2529720690980466, 0.8447223981854833, 13.229938030504156]], "pbc": [true, true, true], "a": 7.37... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.849413003798406, 0.0015200440998780125, -2.7454338194822197], [-3.97426909863985, 6.217674041424483, 0.0023583576788456647], [1.2529720690980466, 0.8447223981854833, 13.229938030504156]], "pbc": [true, true, true], "a... | 0.183212 | 0.207312 | [
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mtgn_651744_K2B4Pt4 | K2 B4 Pt4 | K1 B2 Pt2 | Pm | 6 | -0.006979 | 2025-11-14 10:11:51 | 1,064 | 2.729951 | 2.962667 | 2.481994 | 0.232716 | 0.480673 | 0.247957 | 0.480673 | -56.987966 | 0.020733 | 0.026361 | 0.017123 | -56.158802 | 0.054024 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.930084089182557, 0.0038871878660898, -1.7613881970699368], [-1.0659897025691607, 5.8080273234134925, -2.9784490904044705], [-0.0133607925990976, -0.0229262805780845, 7.238628836990978]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.930084089182557, 0.0038871878660898256, -1.7613881970699368], [-1.0659897025691607, 5.8080273234134925, -2.9784490904044705], [-0.013360792599097624, -0.022926280578084476, 7.238628836990978]], "pbc": [true, true, tru... | 0.021406 | 0.026361 | [
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mtgn_681487_K2Be2S3 | K2 Be2 S3 | K4 Be4 S6 | C2/m | 12 | 0.011011 | 2025-11-14 08:23:35 | 1,064 | 2.125025 | 2.135212 | 2.079669 | 0.010186 | 0.055542 | 0.045356 | 0.055542 | -29.236184 | 0.005694 | 0.005339 | 0.004881 | -29.461271 | 0.007378 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.758839687121176, 0.0029515972239569, -0.0029122742633917], [-1.8875649301937407, 5.734480451912802, -1.580212453488521], [4.60055711286e-05, 0.105432760709968, 7.218888635303005]], "pbc": [true, true, true], "a": 3.75... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.758839687121176, 0.0029515972239569236, -0.0029122742633917176], [-1.8875649301937407, 5.734480451912802, -1.580212453488521], [4.600557112864574e-05, 0.105432760709968, 7.218888635303005]], "pbc": [true, true, true],... | 0.005305 | 0.005694 | [
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mtgn_2933473_K2Ge2S3 | K2 Ge2 S3 | K4 Ge4 S6 | Cm | 8 | null | 2025-11-14 07:00:12 | 1,064 | 2.387426 | 2.552771 | 2.378893 | 0.165345 | 0.173878 | 0.008533 | 0.173878 | -28.51829 | 0.014325 | 0.015532 | 0.011518 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.109502947032483, -0.0016170229473822, -2.389249095077894], [-2.542129010772822, 4.99093306270329, -1.8565160406193477], [0.0094131288045914, 0.1243880848550804, 6.70229381216234]], "pbc": [true, true, true], "a": 6.56... | null | 0.013792 | 0.015532 | null | [
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mtgn_3477802_K2In1Re1N4 | K2 In1 Re1 N4 | K4 In2 Re2 N8 | I-4 | 82 | null | 2025-11-14 05:56:45 | 1,064 | 2.543986 | 2.533269 | 2.516708 | 0.010717 | 0.016561 | 0.027278 | 0.027278 | -51.532656 | 0.021502 | 0.021198 | 0.020443 | -52.122608 | 0.005804 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.136529327585045, -0.0073905866414576, -2.891256162083619], [-1.628506400434624, 4.866525101909531, -2.89858204682353], [0.0142795086763321, 0.0307773364138465, 6.0322413380463775]], "pbc": [true, true, true], "a": 5.8... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.136529327585045, -0.007390586641457626, -2.891256162083619], [-1.628506400434624, 4.866525101909531, -2.89858204682353], [0.014279508676332134, 0.030777336413846473, 6.0322413380463775]], "pbc": [true, true, true], "a... | 0.021048 | 0.021502 | [
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... | 6 | 6 | 0.423639 | 0.205072 | 0.428007 | 0.19626 | mattergen | mattergen_base |
mtgn_3323014_Cs1K2Bi1O4 | Cs1 K2 Bi1 O4 | Cs2 K4 Bi2 O8 | I-42m | 121 | 0.001201 | 2025-11-14 10:49:18 | 1,064 | 1.965786 | 1.973045 | 1.982094 | 0.007259 | 0.009049 | 0.016308 | 0.016308 | -36.904486 | 0.014651 | 0.014343 | 0.014026 | -36.971329 | 0.00216 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.524411871038125, -0.0577828125773223, 3.3171264699611176], [1.5944686901467968, 5.288220651040261, 3.329081739492954], [-0.0067883959448421, -0.0070369936497762, 6.634138613414614]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.524411871038125, -0.05778281257732231, 3.3171264699611176], [1.5944686901467968, 5.288220651040261, 3.329081739492954], [-0.0067883959448420675, -0.007036993649776214, 6.634138613414614]], "pbc": [true, true, true], "... | 0.01434 | 0.014651 | [
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mtgn_1318402_Cs1K2Ta1O4 | Cs1 K2 Ta1 O4 | Cs2 K4 Ta2 O8 | I-4 | 82 | 0.009973 | 2025-11-14 10:29:08 | 1,064 | 1.741236 | 1.741581 | 1.741409 | 0.000345 | 0.000172 | 0.000172 | 0.000345 | -52.15575 | 0.001981 | 0.001981 | 0.001981 | -52.208454 | 0.004303 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.820544817263372, 0.0385724897726722, -2.192169453391628], [-2.73538968485424, 5.130756256011298, -2.188334216970219], [-0.0356773949654386, -0.0561213701929243, 6.221398864343055]], "pbc": [true, true, true], "a": 6.2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.820544817263372, 0.03857248977267224, -2.192169453391628], [-2.73538968485424, 5.130756256011298, -2.188334216970219], [-0.03567739496543865, -0.0561213701929243, 6.221398864343055]], "pbc": [true, true, true], "a": 6... | 0.001981 | 0.001981 | [
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mtgn_3042473_K2Ag1P1O4 | K2 Ag1 P1 O4 | K4 Ag2 P2 O8 | I-4 | 82 | 0.006859 | 2025-11-14 09:07:59 | 1,064 | 1.741897 | 1.744507 | 1.752656 | 0.00261 | 0.00815 | 0.01076 | 0.01076 | -44.492066 | 0.002067 | 0.002092 | 0.002168 | -44.675438 | 0.003877 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.666734549658616, -0.0241152387317799, -3.0334295950106633], [-0.6074549405868341, 4.627972594076566, -3.0323001350920538], [-0.0114720174510897, -0.01384565460216, 6.119596355031092]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.666734549658616, -0.02411523873177994, -3.0334295950106633], [-0.6074549405868341, 4.627972594076566, -3.0323001350920538], [-0.011472017451089674, -0.013845654602159951, 6.119596355031092]], "pbc": [true, true, true]... | 0.002109 | 0.002168 | [
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mtgn_1304207_Cs2K4As2 | Cs2 K4 As2 | Cs4 K8 As4 | Cmcm | 63 | 0.000006 | 2025-11-14 11:08:09 | 1,064 | 2.623806 | 3.313992 | 2.83708 | 0.690186 | 0.476911 | 0.213275 | 0.690186 | -17.435928 | 0.770751 | 1.402976 | 1.127797 | -17.976431 | 0.03704 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.125360088124835, 0.0026482081496859, -0.0001854985504281], [-2.5644827637882806, 6.698685497534852, -0.0023501489106788], [0.0005775422241476, -0.0014400978225396, 10.13253470704802]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.125360088124835, 0.0026482081496859125, -0.0001854985504281155], [-2.5644827637882806, 6.698685497534852, -0.0023501489106787597], [0.0005775422241475569, -0.0014400978225396453, 10.13253470704802]], "pbc": [true, tru... | 1.100508 | 1.402976 | [
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mtgn_3616237_Cs1K1Li2Te2 | Cs1 K1 Li2 Te2 | Cs1 K1 Li2 Te2 | P-3m1 | 164 | 0.006911 | 2025-11-14 10:59:46 | 1,064 | 2.23643 | 2.236408 | 2.279881 | 0.000022 | 0.043473 | 0.043451 | 0.043473 | -18.197246 | 0.010933 | 0.010933 | 0.012566 | -18.23341 | 0.005333 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.778953751697298, -0.0004701414721213, 0.000928246715356], [-2.389193861570242, 4.13904180165015, 0.0007601786994499], [-0.002280685083026, -0.0025968836009118, 10.606997285587044]], "pbc": [true, true, true], "a": 4.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.778953751697298, -0.00047014147212127007, 0.0009282467153559881], [-2.389193861570242, 4.13904180165015, 0.0007601786994498936], [-0.002280685083026039, -0.0025968836009117773, 10.606997285587044]], "pbc": [true, true... | 0.011477 | 0.012566 | [
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mtgn_655217_K2Hg1Pd1Br6 | K2 Hg1 Pd1 Br6 | K4 Hg2 Pd2 Br12 | C2/m | 12 | 0.001982 | 2025-11-14 06:22:25 | 1,064 | 2.212591 | 2.172254 | 2.150954 | 0.040337 | 0.0213 | 0.061637 | 0.061637 | -26.831372 | 0.01896 | 0.022074 | 0.02836 | -26.949543 | 0.039481 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.309439410972768, 0.0333432757784718, -3.205805212056576], [-3.5741961601607124, 6.1063348021606725, 0.1191220912750098], [0.3171709856364955, 0.0891710116944515, 9.317123410597105]], "pbc": [true, true, true], "a": 7.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.309439410972768, 0.033343275778471834, -3.205805212056576], [-3.5741961601607124, 6.1063348021606725, 0.11912209127500978], [0.31717098563649554, 0.08917101169445149, 9.317123410597105]], "pbc": [true, true, true], "a... | 0.023131 | 0.02836 | [
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0.0216492... | 6 | 6 | 0.166916 | 0.048891 | 0.168092 | 0.052266 | mattergen | mattergen_base |
mtgn_2852785_K2As1Cl5 | K2 As1 Cl5 | K4 As2 Cl10 | I4mm | 107 | 0.001661 | 2025-11-14 08:53:36 | 1,064 | 1.865882 | 1.904815 | 1.997582 | 0.038933 | 0.092767 | 0.1317 | 0.1317 | -26.619798 | 0.004127 | 0.004699 | 0.005982 | -26.675688 | 0.002145 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.78348470134988, -0.0265378958103855, 3.7565767147833555], [0.9543578302653312, 5.696171815706765, 3.7550468083111728], [-0.0012410767425469, -0.00868140383173, 7.501972924858562]], "pbc": [true, true, true], "a": 6.89... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.78348470134988, -0.02653789581038552, 3.7565767147833555], [0.9543578302653312, 5.696171815706765, 3.7550468083111728], [-0.001241076742546942, -0.008681403831729958, 7.501972924858562]], "pbc": [true, true, true], "a... | 0.004936 | 0.005982 | [
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mtgn_3277513_Cs4K1Ag1Te1O2 | Cs4 K1 Ag1 Te1 O2 | Cs4 K1 Ag1 Te1 O2 | Pmm2 | 25 | null | 2025-11-14 11:04:26 | 1,064 | 2.056264 | 2.065009 | 2.17856 | 0.008745 | 0.113551 | 0.122296 | 0.122296 | -28.992037 | 0.010991 | 0.01276 | 0.014964 | -29.080481 | 0.013364 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.992865163848635, 0.0014609698373192, -0.0026696847435099], [-0.001458828771943, 5.752205898264776, -0.0040151801229592], [0.0043376217742103, 0.0055257380460393, 9.969918853722424]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.992865163848635, 0.0014609698373191985, -0.0026696847435099193], [-0.0014588287719430292, 5.752205898264776, -0.004015180122959225], [0.004337621774210328, 0.0055257380460392806, 9.969918853722424]], "pbc": [true, tru... | 0.012905 | 0.014964 | [
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mtgn_3182732_K2Mg1Zn3Sb4 | K2 Mg1 Zn3 Sb4 | K4 Mg2 Zn6 Sb8 | Cm | 8 | 0.001842 | 2025-11-14 04:52:43 | 1,064 | 3.508994 | 4.522183 | 4.625268 | 1.013189 | 0.103084 | 1.116273 | 1.116273 | -26.337207 | 1.19027 | 1.215707 | 0.881192 | -26.871418 | 0.034011 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.692524241694811, -0.0013315496889623, 0.0001182840082949], [-2.343349156667888, 6.776229772768071, -2.9606901409052564], [-0.0017955497293959, -0.2417740813954401, 9.52246459436054]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.692524241694811, -0.0013315496889622688, 0.00011828400829490793], [-2.343349156667888, 6.776229772768071, -2.9606901409052564], [-0.0017955497293959456, -0.24177408139544013, 9.52246459436054]], "pbc": [true, true, tr... | 1.095723 | 1.215707 | [
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mtgn_3281805_K4Ag4Au2 | K4 Ag4 Au2 | K8 Ag8 Au4 | Cmce | 64 | -0.000129 | 2025-11-14 09:28:11 | 1,064 | 2.994358 | 2.95004 | 3.062697 | 0.044318 | 0.112657 | 0.068338 | 0.112657 | -22.819818 | 1.648266 | 2.920537 | 2.897708 | -23.700525 | 0.018477 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.424306660420962, 0.0155839299425064, -0.0133265885995626], [-2.551500103365293, 5.1100202297291375, -0.0145591026172904], [0.0125635577994059, 0.0349450995822981, 9.12324425906737]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.424306660420962, 0.01558392994250641, -0.013326588599562605], [-2.551500103365293, 5.1100202297291375, -0.014559102617290369], [0.012563557799405902, 0.03494509958229807, 9.12324425906737]], "pbc": [true, true, true],... | 2.488837 | 2.920537 | [
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mtgn_605809_K2Nb1Cu1S4 | K2 Nb1 Cu1 S4 | K4 Nb2 Cu2 S8 | I-4 | 82 | null | 2025-11-14 04:29:25 | 1,064 | 3.171044 | 3.180813 | 3.185497 | 0.009769 | 0.004684 | 0.014453 | 0.014453 | -40.382371 | 0.20621 | 0.25253 | 0.337922 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.105167452379383, -0.0110368480783468, -3.5490342211900554], [-2.052293426325191, 5.750424977253179, -3.547691633420699], [-0.2434516612380473, -0.3456234387540253, 6.606505848450846]], "pbc": [true, true, true], "a": ... | null | 0.265554 | 0.337922 | null | [
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-0.0... | null | 6 | null | null | 0.104536 | 0.11075 | mattergen | mattergen_base |
mtgn_720153_Cs2K2Te2 | Cs2 K2 Te2 | Cs4 K4 Te4 | I4/mmm | 139 | 0.003448 | 2025-11-14 09:58:10 | 1,064 | 2.387827 | 2.386838 | 2.380664 | 0.000988 | 0.006174 | 0.007162 | 0.007162 | -15.80336 | 0.232199 | 0.23108 | 0.105181 | -16.298273 | 0.012592 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1858532435724, -0.0009751580638999, -1.381545327115276], [-0.3666423806413734, 5.172105738312062, -1.3813539760025824], [0.0856472835767939, 0.0906804715617381, 10.739536290252865]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1858532435724, -0.000975158063899868, -1.381545327115276], [-0.36664238064137344, 5.172105738312062, -1.3813539760025824], [0.08564728357679391, 0.09068047156173813, 10.739536290252865]], "pbc": [true, true, true], "a... | 0.189486 | 0.232199 | [
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-0... | 1 | 1 | 0.057838 | 0.144525 | 0.057663 | 0.144899 | mattergen | mattergen_base finetuned on dn and k_1064 (NOEMD) |
mtgn_3322829_K4Cd2S4 | K4 Cd2 S4 | K4 Cd2 S4 | P2_1/m | 11 | 0.00334 | 2025-11-14 07:37:37 | 1,064 | 2.203619 | 2.150963 | 2.220553 | 0.052656 | 0.069589 | 0.016933 | 0.069589 | -31.666576 | 0.015406 | 0.011971 | 0.012407 | -32.272415 | 0.015324 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.53936544149164, 0.0026503890128362, -0.0090061617349841], [-0.0037905306739065, 7.458395105687841, 0.3865737124338396], [0.0172462112967283, 0.1080832831902367, 8.985359561672805]], "pbc": [true, true, true], "a": 4.5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.53936544149164, 0.002650389012836167, -0.009006161734984091], [-0.0037905306739064956, 7.458395105687841, 0.3865737124338396], [0.017246211296728285, 0.10808328319023672, 8.985359561672805]], "pbc": [true, true, true]... | 0.013262 | 0.015406 | [
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-0.01... | 6 | 6 | 0.050807 | 0.118836 | 0.048706 | 0.117425 | mattergen | mattergen_base |
mtgn_586560_K2C1N2 | K2 C1 N2 | K2 C1 N2 | P-6m2 | 187 | 0.015752 | 2025-11-14 08:10:35 | 1,064 | 1.544054 | 1.543989 | 1.989405 | 0.000065 | 0.445416 | 0.445351 | 0.445416 | -29.911928 | 0.00149 | 0.00149 | 0.005705 | -30.091942 | 0.00129 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.606862051637479, -0.0030819476726937, 0.0111313524973562], [-2.3090465549367996, 3.9878734354575185, -0.0119151458274617], [-0.0031411424790975, 0.0026584460833645, 6.134959935740129]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.606862051637479, -0.0030819476726937013, 0.011131352497356192], [-2.3090465549367996, 3.9878734354575185, -0.01191514582746174], [-0.003141142479097466, 0.002658446083364503, 6.134959935740129]], "pbc": [true, true, t... | 0.002895 | 0.005705 | [
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0.0675... | 6 | 6 | 0.356347 | 0.156018 | 0.356043 | 0.156364 | mattergen | mattergen_base finetuned on dn (NOEMD), k_1065 and k_1500 (JARVIS) |
mtgn_2929065_K2Li1Mo1N3 | K2 Li1 Mo1 N3 | K4 Li2 Mo2 N6 | Cm | 8 | null | 2025-11-14 05:12:04 | 1,064 | 2.537702 | 2.574094 | 2.206394 | 0.036392 | 0.3677 | 0.331309 | 0.3677 | -42.882334 | 0.020826 | 0.018997 | 0.008611 | -42.927334 | 0.011637 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.517446162262734, -0.0012631413536151, -0.0004981504459148], [-1.7575586677588233, 5.369557400275361, -1.7134324827137566], [0.0043129545576222, 0.0459557814811477, 6.367365360229373]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.517446162262734, -0.0012631413536151085, -0.0004981504459148407], [-1.7575586677588233, 5.369557400275361, -1.7134324827137566], [0.004312954557622198, 0.04595578148114771, 6.367365360229373]], "pbc": [true, true, tru... | 0.016145 | 0.020826 | [
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0.0161... | 6 | 6 | 0.3573 | 0.413805 | 0.363942 | 0.418723 | mattergen | mattergen_base |
mtgn_2943571_K4H2S2Br2 | K4 H2 S2 Br2 | K2 H1 S1 Br1 | Pm | 6 | 0.000201 | 2025-11-14 06:35:34 | 1,064 | 1.7069 | 1.709534 | 1.709826 | 0.002634 | 0.000292 | 0.002927 | 0.002927 | -34.160975 | 0.002548 | 0.002398 | 0.002398 | -34.505379 | 0.015111 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.831734618555411, 0.00114343742791, 0.001708875232062], [-0.0028285862054917, 6.6799135595049535, -0.5863637851839779], [-0.0031741145608304, 0.072807543075931, 9.31006689683508]], "pbc": [true, true, true], "a": 4.831... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.831734618555411, 0.001143437427910037, 0.0017088752320619813], [-0.002828586205491662, 6.6799135595049535, -0.5863637851839779], [-0.0031741145608303535, 0.07280754307593097, 9.31006689683508]], "pbc": [true, true, tr... | 0.002448 | 0.002548 | [
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-0.02067... | 6 | 6 | 0.097596 | 0.097328 | 0.09572 | 0.097144 | mattergen | mattergen_base |
mtgn_1314825_Cs1K1Ir1O3F3 | Cs1 K1 Ir1 O3 F3 | Cs1 K1 Ir1 O3 F3 | P1 | 1 | null | 2025-11-14 10:39:13 | 1,064 | 1.943133 | 1.858353 | 1.945756 | 0.08478 | 0.087402 | 0.002622 | 0.087402 | -45.119715 | 0.035587 | 0.058116 | 0.034126 | -45.560677 | 0.031233 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.863751790274532, -0.0487417820014908, -0.0192402014878855], [-0.1228908008363547, 5.500994479386224, -3.2529744748506486], [-0.0283664689058974, -0.0359781792727771, 6.428043556998178]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.863751790274532, -0.048741782001490784, -0.019240201487885498], [-0.1228908008363547, 5.500994479386224, -3.2529744748506486], [-0.028366468905897373, -0.03597817927277715, 6.428043556998178]], "pbc": [true, true, tru... | 0.042609 | 0.058116 | [
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-0.097... | 6 | 6 | 0.736414 | 0.044636 | 0.737833 | 0.04736 | mattergen | mattergen_base |
mtgn_1357454_K2Mg1I1O6 | K2 Mg1 I1 O6 | K2 Mg1 I1 O6 | P-3m1 | 164 | 0.01191 | 2025-11-14 04:54:50 | 1,064 | 1.187392 | 1.813019 | 1.813098 | 0.625626 | 0.000079 | 0.625705 | 0.625705 | -46.62991 | 0.210714 | 0.438219 | 0.43809 | -46.778332 | 0.00153 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.386372042823254, -0.0051506545192495, 0.0027585959493354], [0.0088916279726625, 5.3350382659665945, -3.080116107492393], [0.0002131149999822, 0.0002779043743828, 6.160701140187968]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.386372042823254, -0.005150654519249482, 0.002758595949335365], [0.008891627972662505, 5.3350382659665945, -3.080116107492393], [0.00021311499998217883, 0.0002779043743827628, 6.160701140187968]], "pbc": [true, true, t... | 0.362341 | 0.438219 | [
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-0.... | 6 | 6 | 0.283983 | 0.082765 | 0.284362 | 0.082624 | mattergen | mattergen_base |
mtgn_983052_Cs1K2Sb1S4 | Cs1 K2 Sb1 S4 | Cs2 K4 Sb2 S8 | I-42m | 121 | 0.004211 | 2025-11-14 10:34:26 | 1,064 | 2.152089 | 2.149858 | 2.150671 | 0.002231 | 0.000814 | 0.001417 | 0.002231 | -30.647043 | 0.009293 | 0.009373 | 0.009346 | -30.662998 | 0.000592 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.557477925395554, 0.0022574543628009, -2.5659827920995153], [-3.049435814836507, 5.811018685794266, -2.572762427185667], [-0.0072037113141348, -0.0111524553108177, 7.063923609322948]], "pbc": [true, true, true], "a": 7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.557477925395554, 0.002257454362800923, -2.5659827920995153], [-3.049435814836507, 5.811018685794266, -2.572762427185667], [-0.007203711314134839, -0.01115245531081772, 7.063923609322948]], "pbc": [true, true, true], "... | 0.009337 | 0.009373 | [
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... | 6 | 6 | 0.008178 | 0.033412 | 0.007954 | 0.033289 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_864613_K2P2Pt1 | K2 P2 Pt1 | K4 P4 Pt2 | Immm | 71 | -0.000028 | 2025-11-14 02:38:49 | 1,064 | 3.176291 | 2.76355 | 2.575183 | 0.412741 | 0.188367 | 0.601108 | 0.601108 | -21.37769 | 0.192678 | 0.090047 | 0.100828 | -21.868063 | 0.004585 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9909748742793845, 0.0095495361386354, 1.3348913062114178], [1.2141558168427709, 5.371381451631723, 2.924599635997202], [0.1183978678802359, 0.0027120823077407, 6.234813923965491]], "pbc": [true, true, true], "a": 4.20... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9909748742793845, 0.009549536138635396, 1.3348913062114178], [1.2141558168427709, 5.371381451631723, 2.924599635997202], [0.11839786788023594, 0.00271208230774071, 6.234813923965491]], "pbc": [true, true, true], "a": ... | 0.127851 | 0.192678 | [
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0.0135822023... | 6 | 6 | 0.860057 | 0.459385 | 0.863183 | 0.46073 | mattergen | mattergen_base |
mtgn_2881117_K2Ni1Hg1H6 | K2 Ni1 Hg1 H6 | K8 Ni4 Hg4 H24 | Fm-3m | 225 | null | 2025-11-14 02:39:54 | 1,064 | 5.395402 | 5.396183 | 5.400177 | 0.000781 | 0.003994 | 0.004775 | 0.004775 | -29.44679 | 1.769877 | 1.764849 | 1.769044 | -29.59206 | 0.011851 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.967880757886254, -6.37765966414e-05, 2.8710863604512786], [1.654881776184354, 4.6816868216845595, 2.870178308890534], [2.65014018208e-05, -0.0039423927369957, 5.73468484439306]], "pbc": [true, true, true], "a": 5.7378... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.967880757886254, -6.377659664140147e-05, 2.8710863604512786], [1.654881776184354, 4.6816868216845595, 2.870178308890534], [2.650140182078741e-05, -0.003942392736995723, 5.73468484439306]], "pbc": [true, true, true], "... | 1.767923 | 1.769877 | [
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-0.0... | 6 | 6 | 0.290238 | 0.504225 | 0.29183 | 0.553104 | mattergen | mattergen_base |
mtgn_3412227_Cs2K1W1O3F3 | Cs2 K1 W1 O3 F3 | Cs6 K3 W3 O9 F9 | R3m | 160 | null | 2025-11-14 11:14:36 | 1,064 | 1.704348 | 1.808924 | 1.823488 | 0.104576 | 0.014564 | 0.11914 | 0.11914 | -61.609702 | 0.001555 | 0.002626 | 0.002769 | -55.44165 | 0.00568 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.74395986481554, 0.0241220303281311, -3.2651834705521896], [-1.8853953657990594, 5.341203994213921, -3.280070425609385], [-0.0044527068298925, 0.0027943014234005, 6.542872602356892]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.74395986481554, 0.024122030328131053, -3.2651834705521896], [-1.8853953657990594, 5.341203994213921, -3.280070425609385], [-0.004452706829892462, 0.002794301423400536, 6.542872602356892]], "pbc": [true, true, true], "... | 0.002317 | 0.002769 | [
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mtgn_992108_K1Ge2Te4 | K1 Ge2 Te4 | K2 Ge4 Te8 | I422 | 97 | -0.003907 | 2025-11-14 09:39:23 | 1,064 | 3.623238 | 2.541634 | 2.893591 | 1.081604 | 0.351957 | 0.729646 | 1.081604 | -24.82817 | 1.173094 | 0.717845 | 0.870959 | -25.138636 | 0.001162 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.992038331481963, 0.0008321698574468, 3.207219734392888], [2.9981284035227564, 6.247106832840603, 1.5959044145270522], [0.0416745039176013, -0.0031863210496957, 7.118500230703101]], "pbc": [true, true, true], "a": 6.79... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.992038331481963, 0.0008321698574467801, 3.207219734392888], [2.9981284035227564, 6.247106832840603, 1.5959044145270522], [0.041674503917601295, -0.003186321049695742, 7.118500230703101]], "pbc": [true, true, true], "a... | 0.920633 | 1.173094 | [
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0.062248... | 1 | 1 | 0.422073 | 0.670678 | 0.423829 | 0.669 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_640299_K2Co1H6Pb1 | K2 Co1 H6 Pb1 | K2 Co1 H6 Pb1 | P-3m1 | 164 | 0.00494 | 2025-11-14 07:20:23 | 1,064 | 1.666296 | 1.666646 | 2.977311 | 0.000349 | 1.310665 | 1.311015 | 1.311015 | -33.149173 | 0.22703 | 0.226953 | 1.13008 | -34.179966 | 0.024453 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.668805360740485, 0.0018584892479395, -0.0036863169255557], [-2.8368860026613394, 4.90805872730746, 0.0020585561468191], [0.002917313462392, 0.0004188698976917, 5.981651746159964]], "pbc": [true, true, true], "a": 5.66... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.668805360740485, 0.0018584892479395023, -0.0036863169255557035], [-2.8368860026613394, 4.90805872730746, 0.0020585561468190587], [0.002917313462391997, 0.0004188698976916516, 5.981651746159964]], "pbc": [true, true, t... | 0.528021 | 1.13008 | [
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-0.05... | 6 | 6 | 0.42331 | 0.613486 | 0.452333 | 0.634024 | mattergen | mattergen_base |
mtgn_3497684_K4Ge2Pt4 | K4 Ge2 Pt4 | K16 Ge8 Pt16 | Fdd2 | 43 | 0.000014 | 2025-11-14 07:02:43 | 1,064 | 2.740353 | 2.979698 | 2.781115 | 0.239345 | 0.198583 | 0.040762 | 0.239345 | -40.690665 | 2.035395 | 2.673107 | 5.123036 | -41.18383 | 0.012016 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.109772405592537, -0.0049295429086508, -2.550633939318629], [-3.053792735766486, 4.955267414030373, 1.2711356164460494], [-0.0577504458452765, 0.0065483324496977, 8.466659640153294]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.109772405592537, -0.004929542908650833, -2.550633939318629], [-3.053792735766486, 4.955267414030373, 1.2711356164460494], [-0.05775044584527646, 0.0065483324496977266, 8.466659640153294]], "pbc": [true, true, true], "... | 3.277179 | 5.123036 | [
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0.013231860... | 6 | 6 | 1.075727 | 1.866698 | 1.072848 | 1.854153 | mattergen | mattergen_base |
mtgn_1322411_K2Li2Hf1S4 | K2 Li2 Hf1 S4 | K4 Li4 Hf2 S8 | Cm | 8 | 0.007035 | 2025-11-14 05:28:20 | 1,064 | 2.256102 | 2.433799 | 2.369674 | 0.177697 | 0.064125 | 0.113573 | 0.177697 | -44.675982 | 0.009707 | 0.013333 | 0.012491 | -44.945511 | 0.022534 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.159148382716922, 0.003651166848235, -0.0014191523090212], [-2.086106506766722, 6.855678751658334, -1.7396568083309831], [0.0003424379140983, -0.0363465941912479, 7.354565882395149]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.159148382716922, 0.0036511668482350143, -0.0014191523090212117], [-2.086106506766722, 6.855678751658334, -1.7396568083309831], [0.00034243791409833843, -0.0363465941912479, 7.354565882395149]], "pbc": [true, true, tru... | 0.011844 | 0.013333 | [
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0.017824... | 6 | 6 | 0.097355 | 0.047804 | 0.095129 | 0.048556 | mattergen | mattergen_base |
mtgn_3300319_K2Ba1W1O5 | K2 Ba1 W1 O5 | K4 Ba2 W2 O10 | Immm | 71 | -0.00005 | 2025-11-14 08:26:54 | 1,064 | 2.166808 | 2.234741 | 2.175398 | 0.067933 | 0.059343 | 0.008589 | 0.067933 | -61.943376 | 0.007684 | 0.008211 | 0.007401 | -55.872986 | 0.004235 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8447649782694104, -0.0029509929317565, -1.0828547793943786], [-0.7018348784775759, 5.484292727697913, -2.494676052912871], [-0.0149452785153705, -0.0131818728317715, 7.3410844310732175]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8447649782694104, -0.002950992931756459, -1.0828547793943786], [-0.7018348784775759, 5.484292727697913, -2.494676052912871], [-0.014945278515370503, -0.013181872831771458, 7.3410844310732175]], "pbc": [true, true, tru... | 0.007765 | 0.008211 | [
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mtgn_3684034_K2Na1As1S4 | K2 Na1 As1 S4 | K4 Na2 As2 S8 | I-42m | 121 | 0.002813 | 2025-11-14 04:22:06 | 1,064 | 2.202584 | 2.221616 | 2.209248 | 0.019033 | 0.012368 | 0.006664 | 0.019033 | -31.222176 | 0.008649 | 0.008935 | 0.008759 | -31.189234 | 0.000768 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.25857136692896, 0.018290040845857, -1.9426987613036288], [-3.4123550431791405, 5.251268390767132, -1.9505944012560357], [-0.0045550411147905, -0.0066510192611561, 6.560004024627965]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.25857136692896, 0.018290040845856975, -1.9426987613036288], [-3.4123550431791405, 5.251268390767132, -1.9505944012560357], [-0.004555041114790539, -0.006651019261156121, 6.560004024627965]], "pbc": [true, true, true],... | 0.008781 | 0.008935 | [
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mtgn_3449703_K2As1F7 | K2 As1 F7 | K4 As2 F14 | C2 | 5 | 0.006664 | 2025-11-14 09:06:28 | 1,064 | 1.43112 | 1.446342 | 1.437186 | 0.015223 | 0.009157 | 0.006066 | 0.015223 | -43.511614 | 0.001782 | 0.002524 | 0.001809 | -44.192959 | 0.034107 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.940556909876553, -0.0836747555371661, -0.2455858044339263], [-0.3833601929014914, 5.952734052105725, -2.2194215199724594], [-0.0610813397625102, 0.1198819044229839, 6.378535511060098]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.940556909876553, -0.08367475553716612, -0.24558580443392633], [-0.38336019290149137, 5.952734052105725, -2.2194215199724594], [-0.06108133976251023, 0.11988190442298392, 6.378535511060098]], "pbc": [true, true, true],... | 0.002038 | 0.002524 | [
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mtgn_3667789_K2Na1Nb1S4 | K2 Na1 Nb1 S4 | K4 Na2 Nb2 S8 | I-4 | 82 | 0.004068 | 2025-11-14 03:49:49 | 1,064 | 2.239971 | 2.223862 | 2.227973 | 0.016109 | 0.004111 | 0.011998 | 0.016109 | -39.567775 | 0.013058 | 0.012703 | 0.012792 | -39.359196 | 0.007362 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.365538458084637, -0.0276022426293634, -2.546806792927135], [-2.9350881216327873, 5.64823936514595, -2.5566717520356335], [0.0194601517631543, 0.0396562055854976, 6.867936590913566]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.365538458084637, -0.02760224262936344, -2.546806792927135], [-2.9350881216327873, 5.64823936514595, -2.5566717520356335], [0.019460151763154264, 0.03965620558549764, 6.867936590913566]], "pbc": [true, true, true], "a"... | 0.012851 | 0.013058 | [
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mtgn_1319815_K4P2Pd4 | K4 P2 Pd4 | K16 P8 Pd16 | Fdd2 | 43 | 0.000043 | 2025-11-14 02:22:16 | 1,064 | 1.76322 | 1.949451 | 2.485641 | 0.186232 | 0.536189 | 0.722421 | 0.722421 | -39.922287 | 1.322212 | 1.432711 | 1.633221 | -39.939404 | 0.014916 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.186355504074418, -0.0149145685855182, 2.7116090789970033], [3.0993757426791846, 4.993615314343149, 1.3665148411995607], [0.107881582847312, -0.0189247144879519, 8.141456754814271]], "pbc": [true, true, true], "a": 6.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.18654659773171, -0.014872484210146544, 2.7118341033878477], [3.0994989596189586, 4.994226157477636, 1.3666464125488686], [0.10750747752648941, -0.018898149370726074, 8.14299332959136]], "pbc": [true, true, true], "a":... | 1.462714 | 1.633221 | [
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mtgn_612634_K2Hf1W1O6 | K2 Hf1 W1 O6 | K2 Hf1 W1 O6 | P4/mmm | 123 | 0.002385 | 2025-11-14 06:24:04 | 1,064 | 2.545586 | 2.516175 | 2.516234 | 0.029411 | 0.000059 | 0.029352 | 0.029411 | -80.092038 | 0.017521 | 0.015341 | 0.015321 | -73.986504 | 0.002458 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.060725189848053, -0.0007383432563303, 0.000283394590545], [0.0010586669038019, 5.75098611939353, 0.0014487871265848], [-0.0003670941785656, -0.0017238431368095, 5.751976326013968]], "pbc": [true, true, true], "a": 4.0... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.061809467942835, -0.0007223211546196184, 0.0002869728663107342], [0.0010824401735538768, 5.755397618287364, 0.001506809288485911], [-0.0003624220373573853, -0.0016682249020500723, 5.756299942697588]], "pbc": [true, tr... | 0.016061 | 0.017521 | [
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mtgn_2944973_K2Co1Cu1H6 | K2 Co1 Cu1 H6 | K2 Co1 Cu1 H6 | P-3m1 | 164 | -0.000014 | 2025-11-14 07:21:53 | 1,064 | 3.24922 | 1.97761 | 1.977737 | 1.27161 | 0.000127 | 1.271483 | 1.27161 | -35.045679 | 0.108303 | 0.011858 | 0.011958 | -35.334835 | 0.007449 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.678216458100723, -0.0028505524988683, 0.0026571671375553], [-0.0003780459666782, 4.892612681519638, -2.8241876479631753], [-0.0015709949998765, 0.0001839398194315, 5.643555727282117]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.678216458100723, -0.0028505524988682853, 0.002657167137555296], [-0.00037804596667818886, 4.892612681519638, -2.8241876479631753], [-0.0015709949998765486, 0.00018393981943148454, 5.643555727282117]], "pbc": [true, tr... | 0.04404 | 0.108303 | [
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-0.05830... | 6 | 6 | 0.297178 | 0.393245 | 0.294648 | 0.390916 | mattergen | mattergen_base |
mtgn_3596611_K2Pb2O3 | K2 Pb2 O3 | K4 Pb4 O6 | C2 | 5 | 0.009441 | 2025-11-14 02:03:06 | 1,064 | 2.244535 | 2.211725 | 2.211368 | 0.03281 | 0.000357 | 0.033168 | 0.033168 | -32.606063 | 0.011762 | 0.011281 | 0.012097 | -32.949429 | 0.022411 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.91690373186004, -0.8257699748545245, -2.390281291189103], [-2.9151542894815377, 5.562112857748034, -3.114402355227247], [-0.0125637627508449, -0.5043287196358524, 5.917295381605718]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.917471693775529, -0.8260969516535362, -2.3900813883261303], [-2.9158163072324492, 5.562727368002859, -3.1145394031137785], [-0.012418345336020355, -0.5045267223741124, 5.9171628755362455]], "pbc": [true, true, true], ... | 0.011713 | 0.012097 | [
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-... | 0 | 0 | 0.072411 | 0.025158 | 0.081631 | 0.034889 | mattergen | mattergen_base |
mtgn_635155_K2H7 | K2 H7 | K4 H14 | C2/m | 12 | 0.006558 | 2025-11-14 06:51:26 | 1,064 | 1.449856 | 1.694787 | 1.575796 | 0.244931 | 0.118991 | 0.12594 | 0.244931 | -24.724251 | 0.267923 | 0.729797 | 1.077234 | -26.17005 | 0.014472 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8015869876839705, -0.0043232538090994, 1.1624436257838657], [1.3837496880913647, 6.2756305945989475, 2.0234812067709322], [-0.2187296940981553, 0.1457134438209274, 7.214128511341889]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8015869876839705, -0.004323253809099447, 1.1624436257838657], [1.3837496880913647, 6.2756305945989475, 2.0234812067709322], [-0.21872969409815532, 0.14571344382092735, 7.214128511341889]], "pbc": [true, true, true], "... | 0.691651 | 1.077234 | [
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mtgn_815628_Cs1K1Rb1Al1F6 | Cs1 K1 Rb1 Al1 F6 | Cs4 K4 Rb4 Al4 F24 | F-43m | 216 | null | 2025-11-14 09:58:30 | 1,064 | 1.493988 | 1.494088 | 1.494122 | 0.0001 | 0.000033 | 0.000134 | 0.000134 | -49.129444 | 0.000535 | 0.000535 | 0.000535 | -49.729816 | 0.00047 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.465706093784498, -0.0075186428386462, -3.1540526864632934], [-3.641457425182556, 5.153020627667196, -0.0068804367168174], [-0.0009333578733704, 0.0033443816723214, 6.310217620458008]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.465706093784498, -0.007518642838646238, -3.1540526864632934], [-3.641457425182556, 5.153020627667196, -0.006880436716817413], [-0.0009333578733704238, 0.003344381672321388, 6.310217620458008]], "pbc": [true, true, tru... | 0.000535 | 0.000535 | [
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mtgn_3055965_K2Ce1Ag2Te4 | K2 Ce1 Ag2 Te4 | K4 Ce2 Ag4 Te8 | C2/m | 12 | 0.000014 | 2025-11-14 08:30:37 | 1,064 | 3.239102 | 3.02183 | 3.343318 | 0.217273 | 0.321488 | 0.104216 | 0.321488 | -34.062929 | 1.114398 | 0.481513 | 1.528063 | -34.398975 | 0.008952 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.363539500309271, 0.0148314599750973, -1.2261620745932502], [-0.8188956888300196, 8.038250299361504, -2.8212268655195962], [0.0337281057731085, 0.0765502133081586, 8.491681298770654]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.363539500309271, 0.014831459975097336, -1.2261620745932502], [-0.8188956888300196, 8.038250299361504, -2.8212268655195962], [0.03372810577310846, 0.07655021330815863, 8.491681298770654]], "pbc": [true, true, true], "a... | 1.041325 | 1.528063 | [
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0.0525948... | 6 | 6 | 0.198635 | 0.176183 | 0.200571 | 0.181572 | mattergen | mattergen_base |
mtgn_3673388_Cs1K2Pt1O4 | Cs1 K2 Pt1 O4 | Cs2 K4 Pt2 O8 | I4/mmm | 139 | 0.004811 | 2025-11-14 10:45:46 | 1,064 | 2.569882 | 2.267179 | 2.364253 | 0.302702 | 0.097073 | 0.205629 | 0.302702 | -36.930688 | 0.176895 | 0.146636 | 0.157132 | -37.037548 | 0.003182 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.584936216487205, -0.0238464764070777, -2.250748619138281], [-3.0353700408643145, 4.963794645327049, -1.5306122506839646], [-0.0152527214052422, 0.0319185917555856, 6.015776753773392]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.584936216487205, -0.02384647640707771, -2.250748619138281], [-3.0353700408643145, 4.963794645327049, -1.5306122506839646], [-0.015252721405242173, 0.03191859175558564, 6.015776753773392]], "pbc": [true, true, true], "... | 0.160221 | 0.176895 | [
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mtgn_3055133_K4As2Pd4 | K4 As2 Pd4 | K8 As4 Pd8 | Cmce | 64 | -0.0024 | 2025-11-14 08:54:49 | 1,064 | 1.411157 | 2.619854 | 1.592918 | 1.208697 | 1.026935 | 0.181761 | 1.208697 | -37.807627 | 3.716526 | 0.220528 | 3.246997 | -38.117802 | 0.057396 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.678984425816969, 0.0056608411697872, -0.014408401771896], [2.8337190633498706, 5.830821900693013, -0.0208310304015625], [0.0201568153704993, 0.025546909097983, 7.8901025779822875]], "pbc": [true, true, true], "a": 5.6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.678984425816969, 0.005660841169787152, -0.01440840177189603], [2.8337190633498706, 5.830821900693013, -0.020831030401562485], [0.020156815370499345, 0.025546909097982972, 7.8901025779822875]], "pbc": [true, true, true... | 2.394683 | 3.716526 | [
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mtgn_3327456_K2Cd4Hg1Sb3 | K2 Cd4 Hg1 Sb3 | K2 Cd4 Hg1 Sb3 | P-4m2 | 115 | -0.000713 | 2025-11-14 07:56:13 | 1,064 | 4.176503 | 4.186563 | 4.112114 | 0.01006 | 0.074448 | 0.064388 | 0.074448 | -20.098968 | 3.192252 | 3.176209 | 0.933157 | -21.06044 | 0.003813 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.222513915377175, 0.0049094126153097, -0.0021411441296413], [-0.0059261400218095, 5.226934468112316, -0.0056938024704942], [0.004689544670491, 0.0123931418737124, 11.503903623910082]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.222513915377175, 0.004909412615309681, -0.0021411441296413087], [-0.005926140021809505, 5.226934468112316, -0.0056938024704941675], [0.0046895446704909825, 0.012393141873712415, 11.503903623910082]], "pbc": [true, tru... | 2.433873 | 3.192252 | [
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mtgn_3349842_K2Ca1Pb1Cl6 | K2 Ca1 Pb1 Cl6 | K6 Ca3 Pb3 Cl18 | R3 | 146 | 0.00067 | 2025-11-14 08:12:25 | 1,064 | 1.786199 | 1.786171 | 1.785528 | 0.000028 | 0.000644 | 0.000672 | 0.000672 | -37.297871 | 0.002883 | 0.002883 | 0.002912 | -37.588505 | 0.03525 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.623365463406838, -0.0047818860507023, 3.7066631911451013], [2.2768354314943444, 6.218593651730751, 3.708892900203064], [-0.0377304279267101, -0.0266176218732098, 7.842444391303127]], "pbc": [true, true, true], "a": 7.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.623365463406838, -0.004781886050702295, 3.7066631911451013], [2.2768354314943444, 6.218593651730751, 3.708892900203064], [-0.03773042792671006, -0.02661762187320982, 7.842444391303127]], "pbc": [true, true, true], "a"... | 0.002893 | 0.002912 | [
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mtgn_1362529_Cs1K1Ca2Br6 | Cs1 K1 Ca2 Br6 | Cs2 K2 Ca4 Br12 | Cmmm | 65 | 0.001596 | 2025-11-14 10:32:53 | 1,064 | 1.778456 | 1.77598 | 1.775671 | 0.002476 | 0.00031 | 0.002786 | 0.002786 | -35.196393 | 0.002446 | 0.002421 | 0.002422 | -35.396717 | 0.028381 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.806423338505726, -0.0011584390225836, -0.000508616032962], [0.0008275955347028, 7.977208784964388, -0.0604254975256347], [0.0014283306332499, 0.0064834327618068, 7.976707844223979]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.806423338505726, -0.0011584390225835909, -0.0005086160329619783], [0.0008275955347028078, 7.977208784964388, -0.06042549752563466], [0.0014283306332498627, 0.006483432761806771, 7.976707844223979]], "pbc": [true, true... | 0.00243 | 0.002446 | [
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mtgn_3382599_K2Mg2O3 | K2 Mg2 O3 | K4 Mg4 O6 | C2/m | 12 | 0.002352 | 2025-11-14 04:57:35 | 1,064 | 1.751318 | 1.742875 | 1.756278 | 0.008443 | 0.013403 | 0.00496 | 0.013403 | -33.842332 | 0.004054 | 0.003672 | 0.003587 | -33.921909 | 0.008802 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.551136290316207, 0.0007807919956189, 6.2863047225e-06], [-1.7766285742289285, 5.412389641836067, -1.7592379721868334], [-0.0003520395523015, 0.0215359915549038, 6.104347078343862]], "pbc": [true, true, true], "a": 3.5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.551136290316207, 0.000780791995618928, 6.286304722486826e-06], [-1.7766285742289285, 5.412389641836067, -1.7592379721868334], [-0.0003520395523015011, 0.021535991554903804, 6.104347078343862]], "pbc": [true, true, tru... | 0.003771 | 0.004054 | [
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mtgn_3564866_K2Ba1F4 | K2 Ba1 F4 | K4 Ba2 F8 | I4/mmm | 139 | 0.010097 | 2025-11-14 08:39:26 | 1,064 | 1.515751 | 1.515685 | 1.513143 | 0.000066 | 0.002542 | 0.002608 | 0.002608 | -33.225676 | 0.000693 | 0.000693 | 0.000694 | -33.682064 | 0.013552 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.334723970538034, 0.0059133267563743, -1.4416753660122759], [-0.484719746188913, 4.309422339089528, -1.4402680069188027], [0.0337040796874272, 0.0293058474252215, 7.3118655768782395]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.334723970538034, 0.005913326756374338, -1.4416753660122759], [-0.484719746188913, 4.309422339089528, -1.4402680069188027], [0.033704079687427176, 0.029305847425221524, 7.3118655768782395]], "pbc": [true, true, true], ... | 0.000693 | 0.000694 | [
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-0.12... | 8 | 8 | 0.023602 | 0.015774 | 0.024362 | 0.016125 | mattergen | mattergen_base |
mtgn_3687140_K2Na3Al1O4 | K2 Na3 Al1 O4 | K4 Na6 Al2 O8 | Cm | 8 | 0.010196 | 2025-11-14 04:22:54 | 1,064 | 1.896692 | 1.921668 | 1.821943 | 0.024977 | 0.099725 | 0.074748 | 0.099725 | -46.451617 | 0.144357 | 0.024666 | 0.016631 | -46.437153 | 0.017898 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5017139998921425, 0.0023242305217102, 0.0014272147709668], [-1.7541314803381374, 5.957866452994806, -1.909430662221442], [-0.0007720371688658, -0.1358247563809987, 8.567724729721915]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5017139998921425, 0.0023242305217102185, 0.0014272147709667928], [-1.7541314803381374, 5.957866452994806, -1.909430662221442], [-0.000772037168865847, -0.13582475638099872, 8.567724729721915]], "pbc": [true, true, tru... | 0.061884 | 0.144357 | [
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-0.... | 0 | 0 | 0.109887 | 0.034398 | 0.107504 | 0.031845 | mattergen | mattergen_base |
mtgn_3530363_K2Nb1P1N4 | K2 Nb1 P1 N4 | K4 Nb2 P2 N8 | I-4 | 82 | null | 2025-11-14 02:45:10 | 1,064 | 2.422253 | 2.41963 | 2.415369 | 0.002623 | 0.004261 | 0.006884 | 0.006884 | -56.972439 | 0.010569 | 0.010539 | 0.010433 | -56.565357 | 0.017179 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.914519265823823, 1.61432214505e-05, -2.8053317535253273], [-1.6008720478344727, 4.6449599273930975, -2.8071711804859816], [-0.0131217494070205, -0.0140421365202057, 5.687930062508247]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.914519265823823, 1.6143221450485703e-05, -2.8053317535253273], [-1.6008720478344727, 4.6449599273930975, -2.8071711804859816], [-0.013121749407020527, -0.014042136520205726, 5.687930062508247]], "pbc": [true, true, tr... | 0.010514 | 0.010569 | [
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-0.018359... | 6 | 6 | 0.092707 | 0.058107 | 0.077397 | 0.051873 | mattergen | mattergen_base |
mtgn_3520710_K2Mg2Be1S4 | K2 Mg2 Be1 S4 | K4 Mg4 Be2 S8 | Cm | 8 | 0.002437 | 2025-11-14 04:57:11 | 1,064 | 2.162598 | 2.118448 | 2.16777 | 0.044149 | 0.049322 | 0.005173 | 0.049322 | -36.68094 | 0.005341 | 0.004838 | 0.005374 | -36.89896 | 0.00963 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6837959256817103, 0.0011525769699125, -0.9193691361944586], [-0.5225634944090489, 7.048744634231426, -2.075081541450724], [0.0066692898511142, 0.043153840841683, 7.866654241832582]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6837959256817103, 0.001152576969912539, -0.9193691361944586], [-0.5225634944090489, 7.048744634231426, -2.075081541450724], [0.006669289851114209, 0.04315384084168296, 7.866654241832582]], "pbc": [true, true, true], "... | 0.005184 | 0.005374 | [
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0.02300... | 6 | 6 | 0.067258 | 0.066127 | 0.06903 | 0.066723 | mattergen | mattergen_base |
mtgn_3680032_Cs1K1Pd1F6 | Cs1 K1 Pd1 F6 | Cs1 K1 Pd1 F6 | P312 | 149 | 0.002161 | 2025-11-14 10:04:10 | 1,064 | 1.630648 | 1.641375 | 1.64168 | 0.010727 | 0.000305 | 0.011032 | 0.011032 | -36.97143 | 0.003496 | 0.003564 | 0.003563 | -37.32832 | 0.003738 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.949125945240828, -0.0007947353487034, 0.0011381877783028], [0.0032330102363819, 5.530194612583303, -3.1948963245431545], [-0.0024201797029822, 0.0010428125444217, 6.389724278899403]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.949125945240828, -0.0007947353487034155, 0.0011381877783027603], [0.003233010236381925, 5.530194612583303, -3.1948963245431545], [-0.0024201797029822117, 0.001042812544421729, 6.389724278899403]], "pbc": [true, true, ... | 0.003541 | 0.003564 | [
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-0.133... | 6 | 6 | 0.280475 | 0.076327 | 0.284719 | 0.074337 | mattergen | mattergen_base |
mtgn_570230_K2Ge2S5 | K2 Ge2 S5 | K4 Ge4 S10 | C2/m | 12 | null | 2025-11-14 07:15:41 | 1,064 | 2.333972 | 2.180133 | 2.561305 | 0.153839 | 0.381172 | 0.227333 | 0.381172 | -37.592274 | 0.033548 | 0.026053 | 0.041034 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.320908185684645, -0.1509843517044553, -1.3296201133196712], [3.2976754268132797, 5.970213100726447, -0.0306010381334788], [0.031588488103241, -0.0327070881982451, 6.593155128118132]], "pbc": [true, true, true], "a": 7... | null | 0.033545 | 0.041034 | null | [
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-... | null | 6 | null | null | 0.092935 | 0.071254 | mattergen | mattergen_base finetuned on dn (NOEMD), k_1065 and k_1500 (JARVIS) |
mtgn_3701318_K2Li1Sb1S4 | K2 Li1 Sb1 S4 | K4 Li2 Sb2 S8 | I-4 | 82 | 0.003354 | 2025-11-14 05:12:52 | 1,064 | 2.297205 | 2.272057 | 2.275707 | 0.025148 | 0.00365 | 0.021498 | 0.025148 | -31.668619 | 0.012298 | 0.011906 | 0.011952 | -31.586029 | 0.009166 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.11883608622712, 0.0131326307935719, -2.6642822371702537], [-3.512718911845327, 5.523231074619726, -1.3720067452549076], [0.0070699021635635, 0.0005066463069514, 6.688542201607827]], "pbc": [true, true, true], "a": 6.6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.11883608622712, 0.013132630793571912, -2.6642822371702537], [-3.512718911845327, 5.523231074619726, -1.3720067452549076], [0.0070699021635634695, 0.0005066463069513951, 6.688542201607827]], "pbc": [true, true, true], ... | 0.012052 | 0.012298 | [
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-0.00... | 6 | 6 | 0.09249 | 0.041436 | 0.091783 | 0.043392 | mattergen | mattergen_base |
mtgn_1288720_K2H1F5 | K2 H1 F5 | K2 H1 F5 | P2/m | 10 | -0.00136 | 2025-11-14 06:40:15 | 1,064 | 1.345215 | 2.032591 | 1.743148 | 0.687376 | 0.289443 | 0.397933 | 0.687376 | -29.678848 | 0.001858 | 0.020639 | 0.012822 | -30.196049 | 0.003277 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.190659952923108, -0.0376312037325477, 0.0797511524189481], [0.0986251907876964, 5.139882461090168, 0.3510077495453536], [-0.0602094928719202, -0.0264661955600912, 6.627496929846435]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.190659952923108, -0.037631203732547705, 0.07975115241894812], [0.09862519078769635, 5.139882461090168, 0.3510077495453536], [-0.06020949287192022, -0.02646619556009119, 6.627496929846435]], "pbc": [true, true, true], ... | 0.011773 | 0.020639 | [
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-0.163... | 6 | 6 | 0.226084 | 0.052522 | 0.224039 | 0.050642 | mattergen | mattergen_base |
mtgn_3401990_K2H4Pt1 | K2 H4 Pt1 | K2 H4 Pt1 | P4/mmm | 123 | 0.00183 | 2025-11-14 06:40:39 | 1,064 | 2.163658 | 1.892465 | 1.89273 | 0.271193 | 0.000264 | 0.270929 | 0.271193 | -24.481772 | 0.026783 | 0.00502 | 0.005019 | -24.579924 | 0.000266 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.050731002023126, 0.0006543052380366, -0.0007775973906925], [-0.0014457977488454, 5.7433100909493175, 0.0012530020748098], [0.0007206322179043, 0.0051336514324149, 5.7384823414238815]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.050731002023126, 0.0006543052380365953, -0.0007775973906925158], [-0.0014457977488453603, 5.7433100909493175, 0.001253002074809817], [0.0007206322179042588, 0.0051336514324149115, 5.7384823414238815]], "pbc": [true, t... | 0.012274 | 0.026783 | [
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-0.0231... | 6 | 6 | 0.804939 | 0.730142 | 0.804357 | 0.730464 | mattergen | mattergen_base |
mtgn_3152981_K4Be2Te4 | K4 Be2 Te4 | K8 Be4 Te8 | Immm | 71 | 0.008903 | 2025-11-14 08:22:20 | 1,064 | 2.565601 | 2.438959 | 2.463521 | 0.126643 | 0.024562 | 0.102081 | 0.126643 | -31.136526 | 0.273698 | 0.017897 | 0.033692 | -31.567919 | 0.016447 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2652828409978625, -0.0016659515717518, 1.0164217264202786], [1.5059609424001514, 8.738690925464908, 3.1431483840785264], [0.0096858341645139, -0.0326502613764838, 9.411748344283087]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2652828409978625, -0.0016659515717517607, 1.0164217264202786], [1.5059609424001514, 8.738690925464908, 3.1431483840785264], [0.009685834164513893, -0.032650261376483754, 9.411748344283087]], "pbc": [true, true, true],... | 0.108429 | 0.273698 | [
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0.00242... | [
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0.0027609570... | 1 | 1 | 0.222496 | 0.041234 | 0.222183 | 0.038371 | mattergen | mattergen_base |
mtgn_3337782_K2Na1V1S4 | K2 Na1 V1 S4 | K4 Na2 V2 S8 | I-42m | 121 | 0.005674 | 2025-11-14 03:05:50 | 1,064 | 2.68839 | 2.679871 | 2.6838 | 0.008519 | 0.003929 | 0.00459 | 0.008519 | -37.541953 | 0.071716 | 0.060917 | 0.067703 | -37.831264 | 0.001878 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.247818213844591, -0.0040262605414422, -1.9262885377802499], [-3.424616941722501, 5.223077248797042, -1.9387051174114558], [0.0032594917335389, 0.020619413596064, 6.545967930611148]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.247818213844591, -0.004026260541442177, -1.9262885377802499], [-3.424616941722501, 5.223077248797042, -1.9387051174114558], [0.0032594917335388713, 0.020619413596064038, 6.545967930611148]], "pbc": [true, true, true],... | 0.066778 | 0.071716 | [
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-0.0029... | 6 | 6 | 0.04971 | 0.04439 | 0.050958 | 0.045096 | mattergen | mattergen_base |
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