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values | model stringclasses 168
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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mtgn_1071010_Hf2Te6 | Hf2 Te6 | Hf2 Te6 | P2_1/m | 11 | 0.000141 | 2025-12-15 22:19:59 | 1,064 | 3.638578 | 4.784966 | 4.026495 | 1.146388 | 0.75847 | 0.387917 | 1.146388 | -43.557368 | 2.271244 | 4.222653 | 0.92085 | -43.629951 | 0.025376 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8782627585067098, 0.0007100051550488, -0.0011425986335964], [0.0008120335887742, 5.875081460968002, 0.094401317796168], [0.0015777855605529, 0.0954359171831606, 10.125541006075043]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.947825803835196, 0.0004825850321847719, -0.0017204811672644675], [0.0004381130770365219, 5.9480619770704415, 0.05884036075473974], [0.0002695742109118189, 0.030260734688956025, 10.496721687820024]], "pbc": [true, true... | 2.471583 | 4.222653 | [
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0.09107... | 6 | 6 | 2.753093 | 3.875227 | 2.579783 | 4.072949 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_3272768_Sr2Co1H5 | Sr2 Co1 H5 | Sr2 Co1 H5 | P4/mmm | 123 | 0.00742 | 2025-12-15 22:20:44 | 1,064 | 0.723664 | 1.223292 | 1.222912 | 0.499628 | 0.00038 | 0.499248 | 0.499628 | -30.398514 | 3.600151 | 2.636085 | 2.636003 | -30.69647 | 0.003504 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.548121080848583, 0.0123855882194244, -0.0142661918028453], [-0.0186134005474411, 5.26368128908976, -0.01290701933082], [0.0211120097362087, 0.0132252170582508, 5.2642856157176965]], "pbc": [true, true, true], "a": 3.5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6237696501010466, 0.012724016312309488, -0.014426519090701403], [-0.018679968579863072, 5.312926211962943, -0.012843600271938461], [0.02152583487294076, 0.013536648054090824, 5.314479445633913]], "pbc": [true, true, t... | 2.957413 | 3.600151 | [
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-0.0410... | 6 | 6 | 0.393651 | 0.539593 | 0.363961 | 0.544241 | mattergen | mattergen_base |
mtgn_1393836_Cr1Ge1F6 | Cr1 Ge1 F6 | Cr1 Ge1 F6 | P312 | 149 | 0.002889 | 2025-12-15 22:58:03 | 1,064 | 1.129054 | 0.87946 | 1.168441 | 0.249594 | 0.288981 | 0.039386 | 0.288981 | -43.287274 | 0.374251 | 0.605599 | 0.360352 | -43.216503 | 0.031649 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.246826532680417, 0.0356735352317307, -2.445245646876343], [0.0601033151551249, 4.666614823851706, 0.0068302670640119], [-0.0045583047882969, 0.0089865376622815, 4.894762133881232]], "pbc": [true, true, true], "a": 4.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.326893973778629, 0.14253360119580596, -2.4826999699039667], [0.14600603768798084, 4.717915837409363, -0.04920564356272148], [0.02634042707437435, -0.050296837243271435, 5.0223642936679695]], "pbc": [true, true, true],... | 0.446734 | 0.605599 | [
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-0.12236207214... | 6 | 6 | 0.012753 | 0.03044 | 0.015593 | 0.05446 | mattergen | mattergen_base |
mtgn_3566900_Sr2Ce1Ag1S4 | Sr2 Ce1 Ag1 S4 | Sr4 Ce2 Ag2 S8 | I4/mmm | 139 | 0.011015 | 2025-12-15 22:46:37 | 1,064 | 2.723186 | 2.707129 | 2.568943 | 0.016057 | 0.138185 | 0.154243 | 0.154243 | -41.619663 | 0.100213 | 0.100734 | 0.114327 | -41.910019 | 0.004797 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.294655730709189, 1.38970669113e-05, -2.306861568735139], [-1.0049769683273515, 5.196078162167026, -2.3088111946837535], [0.0180570022304211, 0.0249501415932858, 7.269621692011678]], "pbc": [true, true, true], "a": 5.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.3641838546347875, -0.00033154221974361067, -2.337410070134745], [-1.0189603151409432, 5.265882414937119, -2.340411293714843], [-0.0035052947116236545, -0.002590442955144708, 7.315872229642715]], "pbc": [true, true, tr... | 0.105092 | 0.114327 | [
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0.0729000... | 6 | 6 | 0.006102 | 0.005328 | 0.022163 | 0.006733 | mattergen | mattergen_base |
mtgn_3173641_Rb2Na1Ta1O4 | Rb2 Na1 Ta1 O4 | Rb4 Na2 Ta2 O8 | I-4 | 82 | 0.001677 | 2025-12-15 23:07:40 | 1,064 | 1.771187 | 1.767768 | 1.764682 | 0.003419 | 0.003086 | 0.006505 | 0.006505 | -52.772236 | 0.001976 | 0.001952 | 0.001927 | -52.803543 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.448420018157066, 0.0056241017954462, -3.183844176512296], [-1.8628609484484804, 5.123161991775086, -3.179135175095551], [-0.1752637985952767, -0.2536234679347013, 5.955878400069121]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.3527610517009565, 0.0033318855669022054, -3.1235951832880238], [-1.8329548259300779, 5.0317233413646685, -3.1202430237445746], [0.01881118992486955, 0.02161129144783004, 6.169796298965061]], "pbc": [true, true, true],... | 0.001951 | 0.001976 | [
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-0.0... | 0 | 0 | 0.020953 | -0.002432 | 0.012129 | -0.01903 | mattergen | mattergen_base |
mtgn_1298893_Y2Sb4Rh2 | Y2 Sb4 Rh2 | Y4 Sb8 Rh4 | I4/mmm | 139 | 0.007815 | 2025-12-15 23:40:25 | 1,064 | 4.10307 | 4.101578 | 4.656565 | 0.001492 | 0.554987 | 0.553496 | 0.554987 | -49.921263 | 5.26245 | 5.190515 | 3.68091 | -50.332581 | 0.014624 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.224964309321075, 0.0020749093087116, -0.9315009258324555], [-0.202062532605954, 4.219653002405135, -0.932547497545997], [0.0023564705758774, 0.0076279712140963, 10.085021557670103]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.292809025267096, -0.0003676076323895223, -0.9447430653115233], [-0.20795747668987935, 4.2873964820653745, -0.9466129954028846], [-0.0062666003585755085, -0.0032941722865904893, 10.189047065947916]], "pbc": [true, true... | 4.711292 | 5.26245 | [
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0.050418123136932... | 6 | 6 | 0.172771 | 1.214441 | 0.170094 | 1.337492 | mattergen | mattergen_base |
mtgn_3581337_Ba2Tl1Sb1S4 | Ba2 Tl1 Sb1 S4 | Ba8 Tl4 Sb4 S16 | Fmm2 | 42 | 0.001176 | 2025-12-15 22:15:20 | 1,064 | 2.8241 | 2.907241 | 3.249714 | 0.083142 | 0.342473 | 0.425615 | 0.425615 | -36.529289 | 0.032223 | 0.03677 | 0.058667 | -36.585087 | 0.005502 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.754987052861643, 0.0348202653212177, -2.677839391076808], [-1.141314679073065, 5.6390911586569485, -2.6812065785103227], [0.007209458153177, 0.0121974603854144, 7.686682500467525]], "pbc": [true, true, true], "a": 6.3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.803819313853091, -0.006428130950555048, -2.6780240239922826], [-1.1927055173265888, 5.681011851910929, -2.68359496336793], [0.016091260390476637, 0.0201494412167384, 7.706438305883727]], "pbc": [true, true, true], "a"... | 0.042553 | 0.058667 | [
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0.0252289... | 6 | 6 | 0.145848 | 0.055072 | 0.146533 | 0.053405 | mattergen | mattergen_base |
mtgn_2847748_Sr4Hg2N2 | Sr4 Hg2 N2 | Sr8 Hg4 N4 | Cmcm | 63 | 0.000565 | 2025-12-15 23:14:21 | 1,064 | 3.440991 | 4.873909 | 3.948457 | 1.432919 | 0.925453 | 0.507466 | 1.432919 | -27.914777 | 1.115086 | 2.162289 | 1.466155 | -28.446968 | 0.01089 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.623108111764263, -0.0016719353556382, -0.6606960336275833], [0.0023019375461109, 5.401887713693489, 0.0031949272598691], [0.0092588974373566, -0.0057045040164247, 10.24643599647992]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.736237936887195, -0.0013959922760672394, -0.6824250407017554], [0.0027999567003274797, 5.372964681579006, 0.0033835052127376896], [-0.007094919501150942, -0.005477311203143448, 10.492559703643328]], "pbc": [true, true... | 1.581177 | 2.162289 | [
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0.0... | 6 | 6 | 0.754618 | 2.147855 | 0.999482 | 2.178088 | mattergen | mattergen_base |
mtgn_3348248_Rb2Na1As1O4 | Rb2 Na1 As1 O4 | Rb4 Na2 As2 O8 | I-4 | 82 | 0.004266 | 2025-12-15 21:42:12 | 1,064 | 1.71301 | 1.711346 | 1.709767 | 0.001665 | 0.001578 | 0.003243 | 0.003243 | -41.119412 | 0.001868 | 0.00187 | 0.001872 | -41.056725 | 0.01363 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.319702896993309, -0.0148933395900908, -3.09995612977789], [-1.7926879232147752, 5.009154388806245, -3.0979767466317183], [-0.1591904886372718, -0.2272064001717314, 5.840846691453213]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.303791151658784, -0.015944803227412735, -3.0888857806110788], [-1.78862010490079, 4.993424369563016, -3.0873603987039395], [-0.0752556264315654, -0.10886106641727061, 5.962529639143255]], "pbc": [true, true, true], "a... | 0.00187 | 0.001872 | [
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-0.11... | 0 | 0 | 0.021223 | -0.020433 | 0.018778 | -0.03215 | mattergen | mattergen_base |
mtgn_983445_Na1Ca2Sb1S4 | Na1 Ca2 Sb1 S4 | Na2 Ca4 Sb2 S8 | C2 | 5 | 0.003612 | 2025-12-15 22:40:28 | 1,064 | 2.898765 | 2.911597 | 2.98258 | 0.012832 | 0.070983 | 0.083814 | 0.083814 | -36.877067 | 0.039241 | 0.037385 | 0.031332 | -37.065487 | 0.007188 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.177381858104108, 0.0026544423995044, -2.3379206539856416], [-1.0305154527096556, 5.075201158469559, -2.3327412144685176], [-0.0051213015981339, -0.0114367573670525, 6.891301795174654]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.2519723674720655, -0.00971896405174935, -2.367137160577073], [-1.0568342000826152, 5.144538976229259, -2.3603712015007443], [-0.013882632285976268, -0.020149578171855684, 6.958093199550271]], "pbc": [true, true, true]... | 0.035986 | 0.039241 | [
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0.058903... | 6 | 6 | 0.122823 | -0.043752 | 0.149105 | -0.03315 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_3679251_Sr4Sb2I2 | Sr4 Sb2 I2 | Sr8 Sb4 I4 | I4_1/amd | 141 | 0.00387 | 2025-12-15 23:42:27 | 1,064 | 3.117914 | 3.105602 | 3.02344 | 0.012312 | 0.082162 | 0.094474 | 0.094474 | -28.455038 | 0.141729 | 0.146155 | 0.193621 | -28.496559 | 0.006715 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.128234483905152, 0.0043439648488179, -2.6473691247305142], [-1.1480675591593423, 6.0183551272012465, -2.6496609152752164], [-0.0129518746333795, -0.0121256155942067, 8.38439548937199]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.189049881748587, 0.003204911499889804, -2.671988288467503], [-1.160847183940159, 6.07729172526519, -2.674824517845549], [0.007503014230397408, 0.011943649945394496, 8.510041105332629]], "pbc": [true, true, true], "a":... | 0.160502 | 0.193621 | [
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0.03143... | 1 | 1 | 0.266327 | 0.776206 | 0.252055 | 0.843496 | mattergen | mattergen_base |
mtgn_656554_Cs2Sb1Cl5 | Cs2 Sb1 Cl5 | Cs4 Sb2 Cl10 | I4mm | 107 | 0.000809 | 2025-12-15 23:11:20 | 1,064 | 1.895473 | 1.858875 | 1.859251 | 0.036599 | 0.000377 | 0.036222 | 0.036599 | -26.96987 | 0.004405 | 0.0039 | 0.003926 | -26.996729 | 0.004917 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.702212168629678, -0.0327451448153453, -3.07648949728983], [-3.942749027063997, 6.10792439463019, -1.2228530177319876], [-0.026652637113623, 0.0465139050415976, 7.372992807015725]], "pbc": [true, true, true], "a": 7.37... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.78954175569394, -0.05010669613221703, -3.127888731838447], [-3.9981805181572247, 6.191271796938941, -1.2185490381164863], [-0.03878965973477, 0.06428795760586248, 7.470560592656446]], "pbc": [true, true, true], "a": 7... | 0.004077 | 0.004405 | [
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-0.0795026... | 6 | 6 | 0.065393 | 0.001935 | 0.059898 | 0.001026 | mattergen | mattergen_base |
mtgn_3588105_Na1Cd2Rh1O4 | Na1 Cd2 Rh1 O4 | Na2 Cd4 Rh2 O8 | Cmmm | 65 | 0.004349 | 2025-12-16 00:01:59 | 1,064 | 2.884873 | 2.645122 | 2.611829 | 0.239751 | 0.033294 | 0.273045 | 0.273045 | -38.230754 | 0.117873 | 0.146874 | 0.129028 | -38.594177 | 0.003675 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2425699635692804, -9.3843253331e-06, -9.44753320024e-05], [-0.0002611911738364, 5.377313894307192, -1.9357899063675792], [0.0005060812718291, -0.0170200126541389, 5.713518904222508]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.251344482744828, -0.0004233035685938799, -0.0004911797128264639], [-0.0007123032423487267, 5.4253010984712935, -1.9500236962032498], [-0.000185199661536438, -0.013796413292488673, 5.764916303890146]], "pbc": [true, tr... | 0.131259 | 0.146874 | [
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-0... | 6 | 6 | 0.404578 | 0.165568 | 0.393181 | 0.158051 | mattergen | mattergen_base |
mtgn_756393_Na2B2O4 | Na2 B2 O4 | Na8 B8 O16 | Fmm2 | 42 | 0.009082 | 2025-12-15 23:53:44 | 1,064 | 1.612173 | 1.592922 | 1.579842 | 0.019251 | 0.01308 | 0.032331 | 0.032331 | -53.513718 | 0.000868 | 0.000847 | 0.000886 | -53.36755 | 0.010512 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.211661880565516, -0.0049874882986579, -0.9953783610619039], [-2.147163956220935, 3.630936044531392, -0.9676435874186539], [0.0040077630066652, -0.0072992285734249, 5.406613762389544]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.229533653879099, 0.014305357573088527, -1.0098382072374223], [-2.138666755351821, 3.65808655791816, -0.9777071024928272], [0.017277062418070678, 0.021342634514999428, 5.541126579448336]], "pbc": [true, true, true], "a... | 0.000867 | 0.000886 | [
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-0.117... | 4 | 4 | 0.010548 | 0.00191 | 0.013473 | 0.003015 | mattergen | mattergen_base |
mtgn_3694916_Ba2Tl1Bi1S4 | Ba2 Tl1 Bi1 S4 | Ba4 Tl2 Bi2 S8 | C2 | 5 | 0.005235 | 2025-12-15 22:04:26 | 1,064 | 3.069155 | 3.066279 | 3.052341 | 0.002876 | 0.013938 | 0.016813 | 0.016813 | -35.96173 | 0.491031 | 0.472087 | 0.262274 | -36.239426 | 0.009863 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.791398100233646, -0.0045529830138924, -2.627433320292328], [-1.2067228086543402, 5.664412177595694, -2.6259750667680386], [-0.0063173650671072, -0.0242947880615575, 7.643384824794482]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.8027255480112885, 0.021609433044714188, -2.658194445255061], [-1.1765986036174703, 5.688473175266261, -2.6415643525155104], [-0.0201353412485393, -0.02108504686366241, 7.702506205906376]], "pbc": [true, true, true], "... | 0.408464 | 0.491031 | [
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0.02... | 6 | 6 | 0.143514 | 0.034562 | 0.148173 | 0.035267 | mattergen | mattergen_base |
mtgn_800735_Y1P2Ir5 | Y1 P2 Ir5 | Y2 P4 Ir10 | Immm | 71 | 0.000001 | 2025-12-15 23:52:43 | 1,064 | 5.289569 | 5.75454 | 5.284755 | 0.464971 | 0.469785 | 0.004814 | 0.469785 | -66.689056 | 1.283876 | 2.362717 | 2.018845 | -66.732269 | 0.002598 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6677555187510444, 0.0018764559088938, 1.2410512240867702], [1.2751177757044478, 5.496332270014169, 2.2638451423333223], [-0.0116396913881777, -0.002885864685134, 6.075405321344107]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.780156162304936, 0.0018979521930692226, 1.279037160150037], [1.331216195224914, 5.506980249782929, 2.2829593939053066], [0.04069850974065619, -0.006490549106553156, 6.105672165452031]], "pbc": [true, true, true], "a":... | 1.888479 | 2.362717 | [
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mtgn_3392587_Hg4As2I2 | Hg4 As2 I2 | Hg4 As2 I2 | Pmma | 51 | 0.000023 | 2025-12-15 23:53:58 | 1,064 | 4.424539 | 3.494368 | 3.065318 | 0.93017 | 0.42905 | 1.359221 | 1.359221 | -14.137199 | 3.185835 | 0.600509 | 0.256466 | -14.654074 | 0.019836 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.718538329563942, 0.0004715380225742, -0.00132454137261], [-0.0069707820995558, 7.594735782132522, 0.0069388119497784], [0.0014746079175218, -0.0210797410013328, 7.593952169360207]], "pbc": [true, true, true], "a": 4.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.691732604970214, 0.0022472652294904458, -0.0011276378692488412], [-0.004215006083441172, 7.826864514242691, 0.01328344626349717], [0.001935058944792928, -0.0158537154114861, 7.952223071854633]], "pbc": [true, true, tr... | 1.347603 | 3.185835 | [
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0.061542... | 6 | 6 | 0.261535 | 0.379061 | 0.254069 | 0.473077 | mattergen | mattergen_base |
mtgn_3374901_Ba2Tl1Cl5 | Ba2 Tl1 Cl5 | Ba4 Tl2 Cl10 | Imm2 | 44 | 0.003992 | 2025-12-15 22:11:06 | 1,064 | 1.765448 | 1.778091 | 1.784322 | 0.012643 | 0.006232 | 0.018875 | 0.018875 | -32.387888 | 0.002379 | 0.002503 | 0.002522 | -32.503387 | 0.012471 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.746216626420666, 0.001353966102066, -1.3381859715303348], [-0.8686025528858257, 6.816989731243694, -3.0753513104661163], [0.0581243627019835, 0.043462165150541, 9.290318555338194]], "pbc": [true, true, true], "a": 4.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.763293133962972, 0.0011162136349618442, -1.3430952977707875], [-0.8778091527012623, 6.884893714694144, -3.106915837920882], [0.07318313292193487, 0.041856446718297274, 9.377076510494021]], "pbc": [true, true, true], "... | 0.002468 | 0.002522 | [
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mtgn_769528_Na1Ca1Cd2O4 | Na1 Ca1 Cd2 O4 | Na2 Ca2 Cd4 O8 | I-4m2 | 119 | 0.006416 | 2025-12-15 22:35:11 | 1,064 | 1.409189 | 1.519159 | 2.121156 | 0.10997 | 0.601998 | 0.711968 | 0.711968 | -36.561547 | 1.068416 | 1.20886 | 1.839893 | -36.844509 | 0.003427 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.329398011069823, -0.0004615342142284, -1.9841282362765238], [-0.9082102222689995, 4.233136741175845, -1.983898315446997], [0.0137783514563868, 0.0169234776192644, 5.746116879655629]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.35592326821052, -0.0006384070863447618, -1.9959956478902565], [-0.9140221578237723, 4.258992530739706, -1.995933111295266], [0.03327170277831842, 0.04080850258356341, 5.822832276511076]], "pbc": [true, true, true], "a... | 1.37239 | 1.839893 | [
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-0.... | 0 | 0 | 0.123411 | 0.162876 | 0.109572 | 0.19657 | mattergen | mattergen_base |
mtgn_3626275_Ba2Tl1Hg4Bi1 | Ba2 Tl1 Hg4 Bi1 | Ba6 Tl3 Hg12 Bi3 | R-3m | 166 | -0.000762 | 2025-12-15 22:05:01 | 1,064 | 3.86562 | 3.712484 | 3.876175 | 0.153136 | 0.163691 | 0.010555 | 0.163691 | -14.285158 | 3.931452 | 3.838481 | 4.980064 | -14.931783 | 0.008831 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.3449841142009324, 0.0005609950987456, 1.6633717636403682], [2.4252201329366714, 4.765597983260161, 1.6622494360496747], [0.0378178469090791, 0.0254749147181466, 9.722069806635291]], "pbc": [true, true, true], "a": 5.5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.455675937572591, 0.00026146351956261247, 1.6573953654956917], [2.475121918352281, 4.862384306503597, 1.656423789339153], [-0.0024236556517441355, 0.0011850365672152858, 9.81771277238982]], "pbc": [true, true, true], "... | 4.249999 | 4.980064 | [
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0.007414... | 6 | 6 | 0.99577 | 1.80774 | 0.908359 | 1.770648 | mattergen | mattergen_base |
mtgn_3173688_Na1Ca1Ni2Sn4 | Na1 Ca1 Ni2 Sn4 | Na2 Ca2 Ni4 Sn8 | Amm2 | 38 | null | 2025-12-15 21:35:35 | 1,064 | 4.359522 | 4.039598 | 4.130621 | 0.319924 | 0.091023 | 0.2289 | 0.319924 | -32.199065 | 1.688706 | 3.936147 | 2.591705 | -33.623409 | 0.006652 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.180985045321363, -0.0082059047750166, 0.001000101824631], [-2.096931586342942, 5.461538778310906, 0.0014673801324007], [-0.00177705532813, -0.0027026384363777, 7.355401713956531]], "pbc": [true, true, true], "a": 4.18... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.201322030012881, -0.001051707995473164, 0.0012003768090179927], [-2.0977771391037408, 5.454795664502031, 0.0014587075139700248], [-0.0014733441175668535, -0.0026402694658459354, 7.510847514159098]], "pbc": [true, true... | 2.738852 | 3.936147 | [
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0.109... | 6 | 6 | 0.997679 | 1.888931 | 0.985952 | 1.885202 | mattergen | mattergen_base |
mtgn_983013_Na1Ca2Sb1Te4 | Na1 Ca2 Sb1 Te4 | Na4 Ca8 Sb4 Te16 | Fmm2 | 42 | 0.002569 | 2025-12-15 22:42:00 | 1,064 | 3.614534 | 3.650514 | 3.66051 | 0.03598 | 0.009996 | 0.045975 | 0.045975 | -30.191671 | 0.120652 | 0.119791 | 0.085029 | -30.198652 | 0.007506 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.75177953417413, -0.0018458086841602, -2.538182555414043], [-1.173528017865842, 5.631300223223024, -2.5375648554407584], [0.0097033712934305, 0.0096236192360704, 7.747959502531677]], "pbc": [true, true, true], "a": 6.2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.836923999671253, 0.015689103647576544, -2.5844401544262365], [-1.1735758488073444, 5.7187012627049585, -2.583518223482646], [-0.006806864134871898, -0.010294450928886095, 7.851354013816594]], "pbc": [true, true, true]... | 0.108491 | 0.120652 | [
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0.08360291... | 1 | 1 | 1.337662 | 1.119483 | 1.384331 | 1.339489 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_3450811_Hf2Te2H4 | Hf2 Te2 H4 | Hf2 Te2 H4 | Pmn2_1 | 31 | -0.002748 | 2025-12-15 21:54:09 | 1,064 | 3.524626 | 3.758147 | 3.410492 | 0.233521 | 0.347655 | 0.114134 | 0.347655 | -43.635248 | 0.800369 | 0.321515 | 0.326126 | -43.84333 | 0.040464 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.472547855976278, -0.0037895675844619, -0.0079270901931289], [0.0066851374523167, 5.584409466040001, 0.016881815342222], [-0.0150292538510425, -0.0152836641495768, 6.6359614600322026]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.445475498299407, -0.004343366741792097, -0.0011410471665226345], [0.00578020253417552, 5.640584265609093, 0.012153775234894377], [-0.0007932161058159928, -0.02346803451142195, 7.231730064652747]], "pbc": [true, true, ... | 0.48267 | 0.800369 | [
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mtgn_1054067_Cr2Ag2S4 | Cr2 Ag2 S4 | Cr2 Ag2 S4 | P2/m | 10 | 0.002886 | 2025-12-15 22:44:02 | 1,064 | 4.065217 | 4.014457 | 3.911684 | 0.050759 | 0.102773 | 0.153533 | 0.153533 | -44.59816 | 0.716788 | 0.760701 | 0.788778 | -45.263634 | 0.006402 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5337195836264192, -0.008461437551038, -0.0012388641469412], [0.0133004830899154, 6.006178196723741, -1.3265641423866026], [0.0023316006394295, -0.0516279952239196, 6.933291493850177]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.531612612357295, -0.008804682190397406, -0.0008776567248044902], [0.01277047170800574, 6.087570119011063, -1.3100492514342195], [0.0031571762335207364, -0.01536454505454379, 7.014630807629533]], "pbc": [true, true, tr... | 0.755422 | 0.788778 | [
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0.034993... | 6 | 6 | 0.142398 | 0.20165 | 0.14112 | 0.200948 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_607536_Na1Be1Si1Ag1O4 | Na1 Be1 Si1 Ag1 O4 | Na2 Be2 Si2 Ag2 O8 | I-4 | 82 | null | 2025-12-15 23:53:46 | 1,064 | 1.890399 | 1.890954 | 1.892646 | 0.000555 | 0.001692 | 0.002247 | 0.002247 | -49.871873 | 0.002777 | 0.002776 | 0.0028 | -49.950623 | 0.010054 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2124125541198065, 0.0080319783085891, -2.367778385094228], [-1.3342428459089084, 3.9991725560972218, -2.36070567695879], [0.0712175877894143, 0.0907101834087187, 5.058681139154483]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.287174246079647, 0.00863712863203138, -2.410242835702706], [-1.3576403508754527, 4.07087466605114, -2.40331930160874], [0.042663112442478814, 0.05063716500022273, 5.096192146469572]], "pbc": [true, true, true], "a": 4... | 0.002785 | 0.0028 | [
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mtgn_3540835_Na1Ca2Ag1O4 | Na1 Ca2 Ag1 O4 | Na2 Ca4 Ag2 O8 | I-4m2 | 119 | 0.007085 | 2025-12-15 21:32:21 | 1,064 | 1.920722 | 1.9664 | 2.347064 | 0.045678 | 0.380664 | 0.426342 | 0.426342 | -41.951644 | 2.209586 | 2.069137 | 1.17941 | -42.012474 | 0.008589 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.317903022472051, 0.0012871449265086, -1.974094204534354], [-0.9048935443623847, 4.22163076819714, -1.974805580205758], [-0.0232914915535604, -0.0285849404857348, 5.657782945103636]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.327560863376226, 0.0018936465345554066, -1.9782332513682939], [-0.9061454715109568, 4.230861079064196, -1.9785484285584654], [0.018408703608275782, 0.023566021895664004, 5.761023411258839]], "pbc": [true, true, true],... | 1.819378 | 2.209586 | [
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mtgn_769306_Y2Zn2Pt4 | Y2 Zn2 Pt4 | Y2 Zn2 Pt4 | P6_3/mmc | 194 | -0.000091 | 2025-12-15 23:39:01 | 1,064 | 4.092404 | 4.092254 | 4.355104 | 0.00015 | 0.26285 | 0.2627 | 0.26285 | -47.045731 | 4.139816 | 4.14009 | 4.08872 | -47.328728 | 0.010964 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.367000186012549, 0.0012217842754957, 0.0005946101675242], [-2.1845989020233954, 3.781254587791044, -0.0013197584773368], [-0.0011799771600911, 0.0024665285404364, 8.82163082562013]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4168390714476695, 0.0015937143330296308, 0.0004589332543012367], [-2.2092209650621184, 3.8246328727345533, -0.0010611863409533064], [-0.001497157818622078, 0.003000024060346395, 9.052023029821008]], "pbc": [true, true... | 4.122875 | 4.14009 | [
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0.053314... | 6 | 6 | 0.441014 | 2.905001 | 0.403617 | 2.754599 | mattergen | mattergen_base |
mtgn_2865843_Te6Os2 | Te6 Os2 | Te12 Os4 | C2/m | 12 | 0.01548 | 2025-12-15 21:36:37 | 1,064 | 4.7755 | 4.91161 | 5.126567 | 0.13611 | 0.214957 | 0.351067 | 0.351067 | -41.204381 | 1.992912 | 2.511834 | 2.115392 | -40.486843 | 0.016501 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.530978105218841, -0.0748969533125856, -0.0067745031528772], [-3.190986948668234, 5.698369582806618, -0.0012277553210079], [0.0218211794928449, 0.0290848957975187, 5.871738569017746]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.479619562843385, 0.003703184435240552, -0.03426130389152422], [-3.097427932943338, 5.690285996282722, -0.029645265747542438], [-0.0028937941070902883, -0.013599762727737023, 6.130951371133446]], "pbc": [true, true, tr... | 2.206713 | 2.511834 | [
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0.082483... | 6 | 6 | 1.270489 | 0.726047 | 1.14364 | 0.738635 | mattergen | mattergen_base |
mtgn_1276215_Y2Sb4Au2 | Y2 Sb4 Au2 | Y4 Sb8 Au4 | I4/mmm | 139 | 0.005379 | 2025-12-15 23:44:06 | 1,064 | 4.160487 | 4.278391 | 5.739152 | 0.117904 | 1.46076 | 1.578665 | 1.578665 | -40.852848 | 2.101845 | 2.037752 | 1.344345 | -41.025757 | 0.011746 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2198134546714465, -0.0008891416607821, -0.8991188767364869], [-0.1915129231101201, 4.214274350849163, -0.9010215022971455], [0.072498571560629, 0.0812567896110128, 10.715042110521589]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.318007447521559, -0.00047841321782658036, -0.9190110477643972], [-0.19555022395022975, 4.312787350693804, -0.921011574961757], [-0.0051346301179071106, -0.00016918213112604712, 10.578066934815293]], "pbc": [true, true... | 1.827981 | 2.101845 | [
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0.0605407... | 6 | 6 | 0.215868 | 2.866011 | 0.231848 | 2.952432 | mattergen | mattergen_base |
mtgn_3174180_Hg2Sb2S2Br2 | Hg2 Sb2 S2 Br2 | Hg2 Sb2 S2 Br2 | P2_1/m | 11 | 0.001963 | 2025-12-16 02:34:14 | 1,064 | 3.2036 | 3.045652 | 3.098509 | 0.157949 | 0.052857 | 0.105091 | 0.157949 | -22.532897 | 0.033993 | 0.034574 | 0.041956 | -22.909443 | 0.049197 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9494448605761177, 0.0001397771686713, -0.0003944619166091], [0.0147476986081633, 7.340236251597206, -0.3461653240767596], [0.001767961617545, -0.0547873515350301, 8.835547996128852]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.041716448455604, -0.0026551590228205456, 0.0007275918694953121], [0.00974462809657878, 7.231761714198538, -0.33887191299954006], [0.004142487077019269, -0.013619059636814214, 9.696235889387214]], "pbc": [true, true, t... | 0.036841 | 0.041956 | [
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0.007092418... | 6 | 6 | 0.617116 | 0.253646 | 0.639981 | 0.366745 | mattergen | mattergen_base |
mtgn_2932250_Sr2Hg2O4 | Sr2 Hg2 O4 | Sr4 Hg4 O8 | Immm | 71 | 0.006721 | 2025-12-16 07:28:58 | 1,064 | 1.953797 | 2.10593 | 2.340274 | 0.152133 | 0.234344 | 0.386477 | 0.386477 | -36.486509 | 0.004734 | 0.006458 | 0.009166 | -36.895767 | 0.007571 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5949215150922305, -0.0018467504698609, -0.9385295183044688], [-0.8002245378925293, 5.987935743778986, -3.0779011787242574], [0.0521986420903981, 0.0629601419599279, 7.588492218836406]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.707581528649957, -0.0014439343638660998, -0.9675613509568638], [-0.8005548068240678, 5.993565962649053, -3.0809569947388145], [-0.008582981949673954, 0.04877107504011841, 7.584089038237019]], "pbc": [true, true, true]... | 0.006786 | 0.009166 | [
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... | 6 | 6 | -0.065238 | 0.110095 | -0.074751 | 0.106649 | mattergen | mattergen_base |
mtgn_861902_Sr1Cu1F6 | Sr1 Cu1 F6 | Sr2 Cu2 F12 | C2/m | 12 | 0.004117 | 2025-12-16 04:48:36 | 1,064 | 3.383773 | 3.31607 | 2.939251 | 0.067703 | 0.376819 | 0.444523 | 0.444523 | -33.173996 | 0.887988 | 0.990163 | 0.757625 | -34.182495 | 0.007425 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.85797275159032, 0.1866465288901013, -1.5710122029752902], [-0.8494149199611781, 4.783340548411449, -1.592613741027053], [-0.0398927880253416, -0.0351626574291298, 4.57916050277525]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.891904927826687, 0.17509537904306313, -1.58241117331459], [-0.8677347392933289, 4.813012663755626, -1.6037760980093134], [-0.03360671118987925, -0.02672923221441224, 4.633139343872308]], "pbc": [true, true, true], "a"... | 0.878592 | 0.990163 | [
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-0.1... | 6 | 6 | 0.187732 | 0.295033 | 0.186184 | 0.303765 | mattergen | mattergen_base |
mtgn_3473268_K2Li1Mn1O4 | K2 Li1 Mn1 O4 | K4 Li2 Mn2 O8 | I-4 | 82 | 0.005409 | 2025-12-16 07:09:57 | 1,064 | 2.256916 | 2.306306 | 2.266573 | 0.04939 | 0.039734 | 0.009657 | 0.04939 | -46.94965 | 0.071203 | 0.083358 | 0.073834 | -43.518364 | 0.004401 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.450896353380438, 0.0080125830098135, -0.5222036124016967], [-2.762248325670957, 4.026042997859849, -2.4867360363774105], [0.0569814991038721, 0.012083309792146, 5.4756655702523656]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.50522827580426, 0.008855436982658664, -0.5253348336429263], [-2.7902581778358977, 4.068451270497485, -2.5124668175107217], [0.05961144848887462, 0.012186325808065945, 5.530003406882818]], "pbc": [true, true, true], "a... | 0.076132 | 0.083358 | [
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... | 6 | 6 | 0.629038 | 0.173205 | 0.627291 | 0.170344 | mattergen | mattergen_base |
mtgn_677517_K2Fe1Si1O4 | K2 Fe1 Si1 O4 | K4 Fe2 Si2 O8 | I-4 | 82 | 0.007837 | 2025-12-16 07:33:57 | 1,064 | 1.843382 | 1.851586 | 1.853327 | 0.008204 | 0.001741 | 0.009945 | 0.009945 | -51.337523 | 0.089211 | 0.106638 | 0.110099 | -49.907413 | 0.01492 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.869045079319973, -0.0746821079511549, -2.3055843997379704], [-1.9732804054685724, 4.449573877441675, -2.3120354441148816], [0.0447281790382466, 0.0737893280708602, 5.388135092004143]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9285073425366805, 0.01024475641792413, -2.396413874876632], [-1.9189917500838043, 4.5374571729644675, -2.404344417080721], [-0.011381795434835015, -0.012692579126080041, 5.48085432375696]], "pbc": [true, true, true], ... | 0.101983 | 0.110099 | [
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mtgn_3050818_Na2P2H4 | Na2 P2 H4 | Na4 P4 H8 | Ccc2 | 37 | 0.00104 | 2025-12-16 06:18:58 | 1,064 | 2.053819 | 2.007997 | 1.977581 | 0.045823 | 0.030416 | 0.076239 | 0.076239 | -28.621467 | 0.008618 | 0.007171 | 0.005107 | -28.430624 | 0.044065 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.625724883347547, -0.2417771457875882, -0.0198128593204225], [-2.1247684487581386, 4.118790093434105, 0.0389881359455604], [-0.0203627417957874, -0.0404713019784263, 7.171905757492388]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.523413806450653, -0.21483612752376086, -0.03309048669895522], [-2.0575630859022276, 4.048657354724112, 0.03599236507869487], [-0.038386597953235554, -0.060907497003255755, 7.79421988391306]], "pbc": [true, true, true]... | 0.006966 | 0.008618 | [
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-0.01036... | 6 | 6 | 0.175035 | 0.355276 | 0.17734 | 0.342645 | mattergen | mattergen_base |
mtgn_1044751_Ag3P1S4 | Ag3 P1 S4 | Ag6 P2 S8 | I-42m | 121 | 0.000392 | 2025-12-16 01:37:37 | 1,064 | 3.107995 | 3.097655 | 3.059659 | 0.01034 | 0.037996 | 0.048336 | 0.048336 | -31.388558 | 0.128186 | 0.120688 | 0.076904 | -31.859083 | 0.006894 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.093723236953151, 0.0016655289220844, -2.3631243962193413], [-1.098120778056746, 4.970099757310791, -2.367285652590341], [0.0101076719575308, 0.0160166221543949, 6.691042642674696]], "pbc": [true, true, true], "a": 5.6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.156464357113664, 0.0011686556587162482, -2.393930453807526], [-1.112119674872032, 5.033159460340126, -2.398075888378106], [0.0387679647873251, 0.051920299227652206, 6.839790773245627]], "pbc": [true, true, true], "a":... | 0.108593 | 0.128186 | [
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0.00463... | 6 | 6 | 0.067279 | 0.104489 | 0.063214 | 0.124575 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_2879979_In2Br1Cl5 | In2 Br1 Cl5 | In2 Br1 Cl5 | P1 | 1 | -0.000097 | 2025-12-16 03:09:22 | 1,064 | 2.003152 | 1.983158 | 1.979626 | 0.019994 | 0.003533 | 0.023527 | 0.023527 | -24.438659 | 0.004318 | 0.004084 | 0.004142 | -24.865997 | 0.041212 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.890017165160821, -0.0093930857808003, 2.886914633013316], [2.3204710002140994, 5.412601691333294, 2.8689367811304765], [0.199601032663963, 0.1158043210603376, 7.217590987272654]], "pbc": [true, true, true], "a": 6.559... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.997817472321452, 0.007380417187524852, 2.9283140323166945], [2.3761215578119055, 5.513829860288535, 2.9149872909464576], [0.006624235112678624, -0.0032347025279039947, 7.723209185256313]], "pbc": [true, true, true], "... | 0.004182 | 0.004318 | [
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mtgn_3420326_Hf2Zn2Ga4 | Hf2 Zn2 Ga4 | Hf4 Zn4 Ga8 | I4/mmm | 139 | 0.001772 | 2025-12-16 00:40:02 | 1,064 | 5.461997 | 5.389651 | 6.583469 | 0.072347 | 1.193819 | 1.121472 | 1.193819 | -36.42813 | 2.068868 | 2.108467 | 3.772396 | -37.608444 | 0.017817 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8571404335916166, -0.0011644201866442, -0.891647670538981], [-0.2067176047823587, 3.85289267759418, -0.8886940885274411], [-0.0054885171781076, -0.0120516737657358, 8.784666738415195]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.87490034278748, 0.000342138529709553, -0.8944788637973455], [-0.20620585201001337, 3.8703993391413025, -0.8917162407259457], [0.03091178031505493, 0.025726866970017387, 8.971039542223847]], "pbc": [true, true, true], ... | 2.64991 | 3.772396 | [
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0.01148851... | 6 | 6 | 0.347892 | 1.924135 | 0.3469 | 1.904854 | mattergen | mattergen_base |
mtgn_1044322_Ag2Sb2S4 | Ag2 Sb2 S4 | Ag2 Sb2 S4 | P2/c | 13 | 0.001061 | 2025-12-16 02:52:29 | 1,064 | 3.796849 | 3.573639 | 3.9147 | 0.22321 | 0.341061 | 0.11785 | 0.341061 | -31.415888 | 0.108919 | 0.042352 | 0.084694 | -31.773218 | 0.050104 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.105856708914693, 0.0132255271639296, -0.0023360334496547], [-0.0183263357882425, 7.097119570292799, 0.1104756389307205], [0.0081403888610148, -0.1955173829207105, 6.850573279091944]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.749951850523784, 0.013405085383218844, -0.0032891294717878263], [-0.02109256043788635, 7.195844971003007, 0.4049838623666928], [0.006913548542779991, 0.08815459122294284, 6.745364347097266]], "pbc": [true, true, true]... | 0.078655 | 0.108919 | [
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0.018... | 6 | 6 | 0.587094 | 0.164522 | 0.607228 | 0.23388 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_1278630_In1Ag1Au6 | In1 Ag1 Au6 | In1 Ag1 Au6 | P-6m2 | 187 | 0 | 2025-12-16 04:30:55 | 1,064 | 4.466797 | 5.332843 | 5.330437 | 0.866047 | 0.002406 | 0.86364 | 0.866047 | -25.412779 | 1.921243 | 3.553733 | 3.523529 | -25.825092 | 0.001388 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.7626159843754605, 0.0007801973132427, 0.0012528173784103], [0.0006030457985261, 5.0663030595861684, -2.8949146055549435], [-0.0016337102510327, -0.0253647192163911, 5.835093812594395]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.888728295277637, 0.00038561494427404096, 0.0012442912529482724], [0.00020285513416243948, 5.148256282852297, -2.9435376663288446], [-0.0017101759216210661, -0.027001073713041595, 5.930954288455575]], "pbc": [true, tru... | 2.999502 | 3.553733 | [
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0.0487083670... | 6 | 6 | 0.288312 | 0.768593 | 0.331286 | 0.852947 | mattergen | mattergen_base |
mtgn_3063563_Rb1H2I1Cl4 | Rb1 H2 I1 Cl4 | Rb1 H2 I1 Cl4 | P1 | 1 | 0.002568 | 2025-12-16 05:37:22 | 1,064 | 1.6091 | 1.969481 | 1.675414 | 0.360381 | 0.294067 | 0.066314 | 0.360381 | -22.992165 | 0.001554 | 0.007413 | 0.003283 | -22.980762 | 0.017144 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.194632086959764, -0.0157257130613491, 1.166685429500364], [-0.0138251629357465, 6.6627059339007, 1.3764045881317637], [-0.0250586589445587, -0.1015196336344818, 6.577926228496116]], "pbc": [true, true, true], "a": 6.3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.177200271138629, 0.06823275217669202, 1.257533874971105], [0.02139058106706012, 7.268182109101957, 1.776250572050729], [0.02827788199137251, 0.23574558470305498, 6.799830442733419]], "pbc": [true, true, true], "a": 6.... | 0.004083 | 0.007413 | [
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-0.044... | 6 | 6 | 0.26143 | 0.083765 | 0.265142 | 0.090075 | mattergen | mattergen_base |
mtgn_3693876_Sr1Cr1F6 | Sr1 Cr1 F6 | Sr3 Cr3 F18 | R-3m | 166 | 0.002759 | 2025-12-16 03:14:59 | 1,064 | 1.71414 | 1.726534 | 1.705604 | 0.012394 | 0.020929 | 0.008535 | 0.020929 | -46.033697 | 0.035703 | 0.033449 | 0.03723 | -44.221279 | 0.005213 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.682098458636667, 0.0063231814471778, -0.6724271652737345], [-0.7764771608730614, 4.616088258931335, -0.6686956429734751], [0.0046480595407848, 0.0023830048183678, 4.727835546832012]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.736466009234522, -0.007609210282020906, -0.6919144587485747], [-0.7990362287565486, 4.672595376112457, -0.6862032402253797], [-0.005870619951792812, -0.008134876806481867, 4.791187897239284]], "pbc": [true, true, true... | 0.035461 | 0.03723 | [
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-0.0... | 6 | 6 | -0.101841 | 0.066339 | -0.11399 | 0.076189 | mattergen | mattergen_base |
mtgn_2940481_K2Os1O5 | K2 Os1 O5 | K2 Os1 O5 | P1 | 1 | 0.007728 | 2025-12-16 02:54:25 | 1,064 | 1.88921 | 2.104088 | 2.068276 | 0.214878 | 0.035812 | 0.179066 | 0.214878 | -48.619094 | 0.010719 | 0.016919 | 0.01627 | -48.746292 | 0.040848 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.737957035914265, 0.16460581170801, -1.5860209497356719], [-2.4945525541917988, 5.2140249157304845, -1.6378685836032958], [0.0028803313585257, 0.0498532523098677, 6.667665861448697]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.868780904520569, 0.06278508107529165, -1.6065588800796373], [-2.6393093214524983, 5.2561367778950085, -1.638862742293358], [-0.010774933798106132, 0.0554951961928832, 6.7091968119084555]], "pbc": [true, true, true], "... | 0.014636 | 0.016919 | [
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mtgn_647200_In4Br4 | In4 Br4 | In4 Br4 | Pnma | 62 | 0.000533 | 2025-12-16 07:16:03 | 1,064 | 3.103179 | 3.001872 | 2.823471 | 0.101307 | 0.178401 | 0.279708 | 0.279708 | -22.323011 | 0.070863 | 0.057764 | 0.024314 | -22.825254 | 0.0164 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.537412769245431, -0.0004349965300993, 0.0005141748694202], [-0.0006503955283283, 6.514185806745313, -0.0155365826970388], [-0.001011911502466, 0.0219689713413889, 8.797254491850227]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.644008369757532, 9.362608317641666e-05, 0.0005455343575600967], [0.00010710032316608947, 6.621449152481282, -0.015398503798297623], [-0.0009816692479177205, 0.02252596912841988, 8.814270975799202]], "pbc": [true, true... | 0.05098 | 0.070863 | [
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-0.09... | 6 | 6 | 0.089725 | 0.26922 | 0.094631 | 0.320023 | mattergen | mattergen_base |
mtgn_861332_Hg1W1Cl6 | Hg1 W1 Cl6 | Hg2 W2 Cl12 | C2/m | 12 | 0.001273 | 2025-12-16 02:11:47 | 1,064 | 2.373264 | 2.341866 | 2.202211 | 0.031398 | 0.139655 | 0.171053 | 0.171053 | -30.087795 | 1.264271 | 1.417652 | 1.833339 | -30.392681 | 0.112315 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.439824964544693, -0.0881297595109409, 2.5644891378069636], [2.286101637055017, 5.411515799441942, 3.333412890618501], [-0.0124767055831542, -0.1246737721548703, 7.026749247557342]], "pbc": [true, true, true], "a": 6.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.789550280631345, -0.26770515999950145, 3.5015874052269833], [2.81012309075278, 6.657125920106842, 4.102541522929883], [0.3637976595419249, -0.3139664884196841, 8.648658183833682]], "pbc": [true, true, true], "a": 8.54... | 1.505087 | 1.833339 | [
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0.... | 6 | 6 | 0.223898 | -0.030288 | 0.316185 | 0.018517 | mattergen | mattergen_base |
mtgn_3426425_In2Cu1Pd5 | In2 Cu1 Pd5 | In4 Cu2 Pd10 | Cmmm | 65 | 0.000361 | 2025-12-16 02:52:32 | 1,064 | 5.880451 | 5.043965 | 5.159854 | 0.836486 | 0.115889 | 0.720597 | 0.836486 | -38.289224 | 2.624178 | 2.556401 | 2.654542 | -38.876629 | 0.002602 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0256074344029775, -0.0001464989875806, 0.000397193833834], [-0.0009262112443816, 5.5248242317358365, -0.5025593915181538], [0.0005373597205192, 0.0389136260603211, 5.54792861027664]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.110905850679597, 0.00020280634127507784, 6.369845737383894e-05], [-0.00041890935965205024, 5.600131687423748, -0.519143759784209], [8.342967344935123e-05, 0.029745072230564083, 5.624382825914387]], "pbc": [true, true,... | 2.611707 | 2.654542 | [
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-0.00890... | 6 | 6 | 0.598137 | 1.605726 | 0.68252 | 1.585071 | mattergen | mattergen_base |
mtgn_3383588_Sr1Cu4P3 | Sr1 Cu4 P3 | Sr1 Cu4 P3 | P4/mmm | 123 | 0.000005 | 2025-12-16 04:58:21 | 1,064 | 1.890568 | 1.865487 | 2.721916 | 0.025081 | 0.856429 | 0.831348 | 0.856429 | -35.761166 | 1.288661 | 1.310435 | 1.7804 | -37.307896 | 0.006147 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0328039852186786, -0.0027976968283817, 0.0053637012911229], [0.0024189133246737, 4.0319497529130865, 0.0019963045929419], [-0.0096758661600111, -0.0034868419423395, 7.36476505609418]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.105012486156394, -0.003754094465257633, 0.005432826571578046], [0.001556725382749752, 4.105115315939863, 0.0020343536759140786], [-0.009831463712202067, -0.0035186375382963175, 7.447224480658943]], "pbc": [true, true,... | 1.459832 | 1.7804 | [
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0.0346... | 6 | 6 | 0.035617 | 0.458915 | 0.026546 | 0.410783 | mattergen | mattergen_base |
mtgn_3359388_Ag1Sn1F6 | Ag1 Sn1 F6 | Ag4 Sn4 F24 | Fm-3m | 225 | 0.002831 | 2025-12-16 02:34:16 | 1,064 | 0.869489 | 0.839145 | 0.798603 | 0.030345 | 0.040542 | 0.070887 | 0.070887 | -32.875222 | 0.393334 | 0.417449 | 0.45229 | -33.483746 | 0.000741 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.128445727721696, -0.0034338177960369, 2.978708808173795], [1.7135000003005472, 4.834290839191247, 2.97668851896862], [-0.0106948969748666, -0.0067425826616352, 5.9278193669937895]], "pbc": [true, true, true], "a": 5.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.151118631111302, -0.004096368717906447, 2.993654582703342], [1.7204601337244734, 4.8562115831459485, 2.991633436727997], [-0.010103718717009392, -0.006311125293086971, 5.9564650844779585]], "pbc": [true, true, true], ... | 0.421024 | 0.45229 | [
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mtgn_2861348_Sr4Hg1Bi2Au1 | Sr4 Hg1 Bi2 Au1 | Sr12 Hg3 Bi6 Au3 | R-3m | 166 | 0.001339 | 2025-12-16 01:00:03 | 1,064 | 3.829298 | 3.770012 | 3.852707 | 0.059286 | 0.082695 | 0.02341 | 0.082695 | -23.92884 | 2.00465 | 2.016479 | 1.39354 | -24.430418 | 0.005758 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.461228737809359, 0.0072724889090187, 1.645353598037615], [2.477590798270435, 4.867526192584291, 1.643129910608003], [0.0296623696816226, 0.0223479826494904, 9.827034548101205]], "pbc": [true, true, true], "a": 5.70370... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.517679590569782, 0.006991044780291369, 1.6583627457811685], [2.502887006028236, 4.918605238778888, 1.6561051634892299], [0.010425110224801309, 0.01058512448590065, 9.969649677258474]], "pbc": [true, true, true], "a": ... | 1.804889 | 2.016479 | [
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0.00314... | 6 | 6 | 0.757259 | 2.591205 | 0.645157 | 2.555727 | mattergen | mattergen_base |
mtgn_3247755_Rb2Si1Hg1O4 | Rb2 Si1 Hg1 O4 | Rb4 Si2 Hg2 O8 | I-4 | 82 | null | 2025-12-16 05:39:45 | 1,064 | 2.000415 | 1.985362 | 1.977564 | 0.015053 | 0.007798 | 0.022851 | 0.022851 | -41.322286 | 0.007673 | 0.007807 | 0.007737 | -41.463112 | 0.002704 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.179611707554956, -0.0160267927877517, -2.5288680445153817], [-3.136643912194946, 4.775536807310863, -0.6752852845251668], [-0.009061873179593, -0.0071105193294221, 5.754205513068178]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.209268086974569, -0.0329797546132922, -2.555723598790746], [-3.1584567294139387, 4.807383443094508, -0.658542304543917], [-0.020534471175541653, 0.010839295815551446, 5.791765932756577]], "pbc": [true, true, true], "a... | 0.007739 | 0.007807 | [
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mtgn_3300967_Na2B2S4 | Na2 B2 S4 | Na4 B4 S8 | C2/m | 12 | 0.003913 | 2025-12-16 00:18:06 | 1,064 | 1.818684 | 2.12107 | 2.251947 | 0.302386 | 0.130878 | 0.433264 | 0.433264 | -38.567459 | 0.003217 | 0.006082 | 0.008171 | -38.364239 | 0.046002 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9244485143248977, 0.0451763361876958, 0.8677602919640046], [2.8156291543431595, 6.570252021568915, -1.499055332731404], [0.0101695113984012, 0.2144204997000479, 7.047723251209982]], "pbc": [true, true, true], "a": 4.0... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.010955613680193, 0.04907893049222229, 0.9108525398363532], [2.9528459164047525, 6.799972952619087, -1.874155274115335], [-0.01034367128728104, -0.07657401837707961, 7.485267843396623]], "pbc": [true, true, true], "a":... | 0.005823 | 0.008171 | [
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mtgn_3640876_Na1Nb1Cl6 | Na1 Nb1 Cl6 | Na1 Nb1 Cl6 | P312 | 149 | 0.000574 | 2025-12-16 05:00:24 | 1,064 | 2.275188 | 2.19057 | 2.19041 | 0.084618 | 0.00016 | 0.084778 | 0.084778 | -33.826746 | 0.019537 | 0.014037 | 0.014038 | -33.467518 | 0.039125 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.852704491198715, 2.52378359073e-05, 0.0042636589513627], [0.0048099078215376, 5.762218949415253, -3.329137861125095], [0.0004385228227375, -0.0017704564270165, 6.657208095149549]], "pbc": [true, true, true], "a": 5.85... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.394917683680358, 0.0012407760369120228, 0.0035814866544970044], [0.006951853694070598, 5.997473716212996, -3.468675392550218], [-0.0005045042301390345, -0.0030928434867808544, 6.934071580633661]], "pbc": [true, true, ... | 0.015871 | 0.019537 | [
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mtgn_3656390_Cs1K2Ir1O4 | Cs1 K2 Ir1 O4 | Cs2 K4 Ir2 O8 | I-4m2 | 119 | 0.001566 | 2025-12-16 07:31:15 | 1,064 | 2.522246 | 2.331056 | 2.320343 | 0.191189 | 0.010713 | 0.201902 | 0.201902 | -41.355647 | 0.048191 | 0.041505 | 0.041158 | -41.372833 | 0.001744 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.428216862639483, -0.0568371332535522, -2.4885387506412617], [-2.27075122436216, 4.933531450245889, -2.484148384910608], [0.0446937763741305, 0.0624349289853737, 5.971848067391367]], "pbc": [true, true, true], "a": 5.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.5007304718196535, 0.04329182283352602, -2.5941522062704565], [-2.208537341037453, 5.0380752029834905, -2.588535673145296], [-0.022163332189735686, -0.03940279627118038, 6.077967914669084]], "pbc": [true, true, true], ... | 0.043618 | 0.048191 | [
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-0.052... | 6 | 6 | 1.079429 | 0.110693 | 1.06659 | 0.097455 | mattergen | mattergen_base |
mtgn_3422674_Zn1Ni6Sb1 | Zn1 Ni6 Sb1 | Zn1 Ni6 Sb1 | P4/mmm | 123 | 0.001019 | 2025-12-16 02:26:15 | 1,064 | 4.470151 | 4.469983 | 4.133297 | 0.000168 | 0.336686 | 0.336853 | 0.336853 | -39.127622 | 4.646488 | 4.646047 | 5.672191 | -41.111301 | 0.003468 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6321005456895783, -0.0046094256266909, 0.001990263826662], [0.0045738388036885, 3.6323147970879726, 0.0028494174121839], [-0.0038876162407857, -0.0052807199877411, 7.138593238573704]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.664463625375477, -0.0046058303843138325, 0.0020240448390708545], [0.004659214070856083, 3.664587667478873, 0.0027668310124393967], [-0.0038981354853269367, -0.005550106179191896, 7.215206256830268]], "pbc": [true, tru... | 4.988242 | 5.672191 | [
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0.07145789... | 6 | 6 | 1.174579 | 0.452288 | 1.1967 | 0.405433 | mattergen | mattergen_base |
mtgn_655305_Al2Ag2S4 | Al2 Ag2 S4 | Al2 Ag2 S4 | P2/m | 10 | 0.002944 | 2025-12-16 02:35:44 | 1,064 | 2.491532 | 2.564779 | 2.515846 | 0.073248 | 0.048933 | 0.024314 | 0.073248 | -35.132478 | 0.011379 | 0.009572 | 0.008904 | -35.520977 | 0.029288 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7129237308548424, 0.0010420922690969, 0.0001251180387066], [-0.0003748026499934, 6.645089559576004, -0.5538546228795148], [0.0016856685629808, -0.1130863802959617, 6.9305602085262565]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7523337015403393, 0.0006515166851734801, 0.0001233974778797202], [-0.0011330734218845595, 6.813836222375473, -0.535547396524928], [0.0017021961782027544, -0.08347067533166044, 7.0974808469288595]], "pbc": [true, true,... | 0.009951 | 0.011379 | [
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0.042... | 6 | 6 | 0.03149 | 0.119566 | 0.044063 | 0.138307 | mattergen | mattergen_base |
mtgn_3047241_Cs2In2As2H2 | Cs2 In2 As2 H2 | Cs4 In4 As4 H4 | C2/m | 12 | 0.000583 | 2025-12-16 07:27:40 | 1,064 | 3.295885 | 2.609468 | 2.844836 | 0.686417 | 0.235369 | 0.451049 | 0.686417 | -25.276927 | 0.07655 | 0.02056 | 0.039932 | -25.662865 | 0.019062 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1719495212668285, -0.0006372478826549, -1.1301297023917087], [-1.0963021489476492, 7.110348473181238, -4.055807393581864], [-0.0577784440674244, -0.0426547395413644, 8.056763294682007]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.24568397843318, -0.0004924376407260433, -1.149319496138018], [-1.0768666952785066, 7.355317197806409, -3.9823923922073563], [-0.13666517877906167, -0.061066318893938744, 7.905909669331113]], "pbc": [true, true, true],... | 0.045681 | 0.07655 | [
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mtgn_3442796_Al2H2O4 | Al2 H2 O4 | Al2 H2 O4 | Pmn2_1 | 31 | 0.003835 | 2025-12-16 00:56:44 | 1,064 | 1.725602 | 1.718401 | 1.717062 | 0.007201 | 0.001339 | 0.00854 | 0.00854 | -52.251624 | 0.000985 | 0.000902 | 0.000932 | -52.262672 | 0.026069 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8724153210212013, -0.0022537885956006, 0.0070732282986541], [0.0026790100456724, 3.7002560863020038, 0.0158464790202238], [-0.0097688828469321, -0.0270227121902757, 6.151314812446604]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.890675122063179, -0.0024139372603561157, 0.006657937904261422], [0.0024879562544953197, 3.7101090333928384, 0.019136285237817973], [-0.011169379566175608, -0.022480956258282295, 6.34435595821185]], "pbc": [true, true,... | 0.00094 | 0.000985 | [
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mtgn_3269998_Al1Cd2Cu1S4 | Al1 Cd2 Cu1 S4 | Al2 Cd4 Cu2 S8 | I-4 | 82 | 0.001159 | 2025-12-16 02:15:47 | 1,064 | 2.477282 | 2.487865 | 2.558648 | 0.010582 | 0.070784 | 0.081366 | 0.081366 | -31.184548 | 0.229627 | 0.246517 | 0.35083 | -31.884499 | 0.003062 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.101690492415673, -0.0005508191292698, -2.3275388547850304], [-1.0611787323559263, 4.9891670363896035, -2.328742777312965], [-0.0023202916058693, -0.0006100301157261, 6.7511442304652585]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.165290566415567, -0.0002702384479921897, -2.3560017293422946], [-1.0746579514140888, 5.050588736132752, -2.3583844552704467], [-0.01102570613724946, -0.012909721192008046, 6.814690624588171]], "pbc": [true, true, true... | 0.275658 | 0.35083 | [
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0.009088064... | 6 | 6 | 0.01227 | 0.136274 | 0.023463 | 0.141895 | mattergen | mattergen_base |
mtgn_3239524_Na1Nb1Tl2S4 | Na1 Nb1 Tl2 S4 | Na2 Nb2 Tl4 S8 | I-42m | 121 | 0.000495 | 2025-12-16 04:54:00 | 1,064 | 2.927088 | 2.898088 | 2.917248 | 0.029 | 0.01916 | 0.00984 | 0.029 | -39.014367 | 0.023368 | 0.022705 | 0.023155 | -38.988201 | 0.008003 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.225053674918384, 0.0450466351093026, -1.8845773777498127], [-2.8174232312022824, 5.180384003229557, -2.7427149539702733], [0.0212380020576345, -0.030696291791041, 6.501986511647358]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.320028721191338, -0.01821254304414419, -1.949342249867588], [-2.8799574792330462, 5.293300471768215, -2.725001069018973], [-0.012719138481825756, 0.03072125924667758, 6.612612029207146]], "pbc": [true, true, true], "a... | 0.023076 | 0.023368 | [
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-0.002... | 6 | 6 | 0.08551 | 0.014761 | 0.092664 | 0.02442 | mattergen | mattergen_base |
mtgn_3483711_Na1Ru1F6 | Na1 Ru1 F6 | Na1 Ru1 F6 | P312 | 149 | 0.000624 | 2025-12-16 06:35:07 | 1,064 | 1.882246 | 1.869104 | 1.868943 | 0.013142 | 0.000161 | 0.013303 | 0.013303 | -38.180067 | 0.007093 | 0.007009 | 0.007009 | -38.402012 | 0.013639 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.944817619798031, 0.0009969656004559, -0.0009904822721392], [-0.0026540761823714, 4.485426863860182, -2.5821658765542104], [0.0009703190031884, -0.0041688078165095, 5.180096734821529]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.038764674696208, 0.0013571770691696, -0.003923464054529884], [-0.00089871581486696, 4.62539474051552, -2.664729991932545], [-0.0020505521658761993, -0.0044588320336335615, 5.345451494196647]], "pbc": [true, true, true... | 0.007037 | 0.007093 | [
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-0.10... | 6 | 6 | 0.243212 | 0.108792 | 0.228554 | 0.119729 | mattergen | mattergen_base |
mtgn_3270801_Na1Cd1H5Ru1 | Na1 Cd1 H5 Ru1 | Na2 Cd2 H10 Ru2 | Amm2 | 38 | null | 2025-12-16 00:54:45 | 1,064 | 2.561489 | 2.566446 | 2.174154 | 0.004957 | 0.392292 | 0.387335 | 0.392292 | -29.159306 | 0.018114 | 0.012059 | 0.006899 | -28.975302 | 0.029663 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3316837404311634, 0.008892076330579, -0.000550088321091], [-1.680746341172345, 4.91009515291452, -0.0116210460596943], [0.0008293002191274, 0.0169327116084797, 5.21592320939936]], "pbc": [true, true, true], "a": 3.331... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.394272091084558, 0.0069425541360618485, -0.0005553132220099756], [-1.7153258365239015, 4.95495085453903, -0.010383208848033216], [0.0008391929157919206, 0.018646852287706028, 5.324056442135774]], "pbc": [true, true, t... | 0.012358 | 0.018114 | [
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-0.063... | 6 | 6 | 0.131035 | 0.173238 | 0.120058 | 0.163046 | mattergen | mattergen_base |
mtgn_3307662_Rb1H1I1Cl5 | Rb1 H1 I1 Cl5 | Rb1 H1 I1 Cl5 | P1 | 1 | 0.001715 | 2025-12-16 02:56:35 | 1,064 | 2.184249 | 2.033565 | 2.062039 | 0.150684 | 0.028474 | 0.12221 | 0.150684 | -21.067199 | 0.012018 | 0.009245 | 0.010233 | -21.095839 | 0.023493 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.233023608922445, -0.129246375851565, -1.3086083893265366], [-1.355702038956054, 5.927772363153237, -0.8116437263572603], [0.2443055850948065, 0.3147524276354228, 6.670541141863508]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.6192810278784515, -0.04809625313764131, -1.4536303567153679], [-1.3520469934295467, 6.056396984396005, -0.8573755157271753], [0.13737762835614567, 0.2651830279206958, 6.81810391919643]], "pbc": [true, true, true], "a"... | 0.010498 | 0.012018 | [
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mtgn_3301407_Na1Li1F6 | Na1 Li1 F6 | Na1 Li1 F6 | P1 | 1 | 0.001944 | 2025-12-16 05:07:49 | 1,064 | 1.947601 | 3.356616 | 1.561658 | 1.409015 | 1.794958 | 0.385943 | 1.794958 | -25.453147 | 0.029138 | 0.074629 | 0.013223 | -25.914501 | 0.061927 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4036420725552934, 0.1399897818645671, -0.2355433121788691], [-1.1487790601876755, 5.039084955844187, -1.5291973634534173], [0.5670446521387663, 0.1981395841904149, 5.955010770305566]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4798309838140153, 0.2632767175447856, -0.2969853614460199], [-0.9862844941424936, 5.292511499792855, -1.728671045918847], [0.49345071929325274, 0.006128996509234418, 6.056617387433039]], "pbc": [true, true, true], "a"... | 0.038997 | 0.074629 | [
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mtgn_755695_Sr2Ge2Pt4 | Sr2 Ge2 Pt4 | Sr4 Ge4 Pt8 | Cmcm | 63 | -0.000994 | 2025-12-16 05:45:14 | 1,064 | 3.469527 | 3.333771 | 4.860566 | 0.135756 | 1.526795 | 1.391039 | 1.526795 | -43.24679 | 1.166413 | 2.565098 | 5.028489 | -43.409122 | 0.01037 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.110373581016475, -0.0003059009598292, -0.9959172903997786], [0.0005540332311244, 4.216956373286574, 0.0009054537459354], [0.097441419770267, -0.0012531822517347, 9.495917929903706]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.222436907317707, -0.0002889151264065424, -1.0165172416776354], [0.0005982248795650736, 4.301715990107927, 0.0009443522252214134], [0.046051522393429294, -0.0011802981584975556, 9.468582771074392]], "pbc": [true, true,... | 2.92 | 5.028489 | [
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0.076218... | 6 | 6 | 1.004451 | 2.515233 | 1.01773 | 2.462496 | mattergen | mattergen_base |
mtgn_784935_K2Cu1Ge1O4 | K2 Cu1 Ge1 O4 | K4 Cu2 Ge2 O8 | I-4 | 82 | 0.007327 | 2025-12-16 07:33:45 | 1,064 | 2.03021 | 1.96461 | 1.969104 | 0.0656 | 0.004495 | 0.061105 | 0.0656 | -41.301468 | 0.186951 | 0.225592 | 0.223096 | -41.971069 | 0.009411 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.954116522600066, -0.0027144594766995, -2.200835523683291], [-2.0820027165162114, 4.499048574805096, -2.196068175109764], [-0.0023058053123169, -0.0106790311362293, 5.4225399318444545]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.961614037334074, 0.02418763090100503, -2.2218638162298454], [-2.061628566184923, 4.5183896271130175, -2.2191399896328137], [-0.01707630312038519, -0.03622228548455652, 5.441277282942615]], "pbc": [true, true, true], "... | 0.21188 | 0.225592 | [
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mtgn_3410171_Cs1Mn1F6 | Cs1 Mn1 F6 | Cs3 Mn3 F18 | R-3m | 166 | 0.005672 | 2025-12-16 01:12:29 | 1,064 | 2.009374 | 2.004206 | 2.055626 | 0.005168 | 0.05142 | 0.046252 | 0.05142 | -39.060978 | 0.105754 | 0.098193 | 0.139641 | -36.581898 | 0.009562 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.0020427869153945, 0.013668005077347, 2.6576063879998575], [1.7765551374445563, 4.686460633529569, 2.653709603869055], [-0.0191809819322667, -0.0136541610004749, 6.069981640481939]], "pbc": [true, true, true], "a": 5.6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.0530443379644305, 0.008246434960329351, 2.6812038947260675], [1.7895301451415029, 4.7279816343734815, 2.677171795856579], [0.001048099796930578, 0.00015659468175623992, 6.085400621700082]], "pbc": [true, true, true], ... | 0.11453 | 0.139641 | [
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mtgn_815702_Rb1H2F5 | Rb1 H2 F5 | Rb1 H2 F5 | P1 | 1 | 0.000365 | 2025-12-16 05:34:24 | 1,064 | 1.512588 | 1.79875 | 1.359265 | 0.286163 | 0.439486 | 0.153323 | 0.439486 | -29.240074 | 0.004694 | 0.010146 | 0.000625 | -29.796688 | 0.020563 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.206697084299283, 0.0054623790269019, -0.2543891991114208], [-0.659927597897084, 5.14891138298415, -1.0713271318562445], [-0.004719068728387, 0.0119404202695562, 5.669783079918658]], "pbc": [true, true, true], "a": 4.2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.187235408015643, -0.03252446212213264, -0.23670809431533335], [-0.7076604449089916, 5.178752017594451, -1.0612688284081588], [0.020725613086906368, 0.032497595775742724, 5.699634144221808]], "pbc": [true, true, true],... | 0.005155 | 0.010146 | [
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mtgn_2889759_Na4Pb4 | Na4 Pb4 | Na4 Pb4 | Pnma | 62 | -0.000036 | 2025-12-16 06:04:16 | 1,064 | 4.995834 | 4.750994 | 4.276238 | 0.24484 | 0.474755 | 0.719596 | 0.719596 | -20.748678 | 2.253077 | 2.638322 | 2.29454 | -21.311949 | 0.020956 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.44497183493755, -0.0060895423991939, 0.0055383846175322], [0.0073761962792755, 6.128382915764691, 0.0198878542557365], [-0.0056579663998609, -0.0262680199312094, 6.747283192524868]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.644975559332635, -0.005935410526653208, 0.006816065886374947], [0.007627261817086337, 5.980489083825434, 0.015286018336521455], [-0.004577981147531485, -0.031555882775493156, 7.045217809673512]], "pbc": [true, true, t... | 2.395313 | 2.638322 | [
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mtgn_3600323_Sr1Ga1Cu2O4 | Sr1 Ga1 Cu2 O4 | Sr2 Ga2 Cu4 O8 | I-42m | 121 | null | 2025-12-16 07:07:14 | 1,064 | 2.407747 | 2.38298 | 2.382845 | 0.024767 | 0.000135 | 0.024902 | 0.024902 | -43.835492 | 0.429821 | 0.379336 | 0.373566 | -44.805229 | 0.010756 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.612249596478584, 0.0138329428111625, -2.1674442742248266], [-2.753121151340285, 4.219018212903657, -0.7676584373769614], [0.0116531443958113, -0.0146337958327179, 5.096036806086476]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.633893049641363, -0.03447630967579012, -2.2123714641828243], [-2.7786252528177355, 4.258959810284753, -0.7160561367685694], [-0.01973762135944535, 0.034041309872198076, 5.134736839973703]], "pbc": [true, true, true], ... | 0.394241 | 0.429821 | [
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-0.04... | 0 | 0 | 0.018917 | 0.081978 | 0.017624 | 0.095736 | mattergen | mattergen_base |
mtgn_3430045_Na2Ru2S4 | Na2 Ru2 S4 | Na1 Ru1 S2 | P-3m1 | 164 | null | 2025-12-16 06:30:02 | 1,064 | 2.492139 | 2.293875 | 2.030202 | 0.198264 | 0.263673 | 0.461937 | 0.461937 | -42.317387 | 1.871164 | 1.905771 | 0.896783 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.493727603605192, 0.0026866350600623, -0.899108199640093], [-0.692287424265622, 5.617765191085142, -2.6848071293656086], [-0.0329203110200698, -0.0765583282090358, 7.122792760126957]], "pbc": [true, true, true], "a": 3... | null | 1.557906 | 1.905771 | null | [
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0.0338... | null | 6 | null | null | 0.877127 | 0.215446 | mattergen | mattergen_base |
mtgn_1390109_Al1Cu2B1S4 | Al1 Cu2 B1 S4 | Al2 Cu4 B2 S8 | I-42m | 121 | null | 2025-12-16 03:59:58 | 1,064 | 2.87438 | 2.877434 | 2.911901 | 0.003054 | 0.034467 | 0.037521 | 0.037521 | -38.669331 | 0.025745 | 0.02504 | 0.019231 | -39.554092 | 0.006649 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.588531703539938, -0.0008492823525875, -1.9606471419684293], [-0.836434964028321, 4.511750116695335, -1.9602568690226143], [-0.042513733356307, -0.0524552196889365, 6.248315858154683]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.630991624662134, -0.00030580518068480645, -1.9781281821066206], [-0.8439702057051619, 4.553581982691806, -1.978524176958374], [-0.05061433562013964, -0.06329364398894712, 6.286007973238646]], "pbc": [true, true, true]... | 0.023339 | 0.025745 | [
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0.0179186594... | 6 | 6 | 0.091738 | 0.08617 | 0.100354 | 0.087983 | mattergen | mattergen_base |
mtgn_3558742_K3Ru1O4 | K3 Ru1 O4 | K6 Ru2 O8 | I-42m | 121 | 0.002253 | 2025-12-16 00:41:23 | 1,064 | 1.870215 | 1.867429 | 1.84784 | 0.002786 | 0.019589 | 0.022375 | 0.022375 | -42.528349 | 0.388592 | 0.322475 | 0.295318 | -42.561989 | 0.007297 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.382126498149467, -0.0045884653474386, 3.1443659112550244], [1.9813288015800332, 4.8740754159070105, 2.8202286264491225], [0.1479573747142977, -0.198442616223777, 5.944051074729335]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.232306938790489, -0.009341877014654694, 3.0521522782553214], [1.6372292114751543, 5.13195448416339, 3.2257553530949434], [-0.14820206472659697, 0.20747595400452343, 6.271145667094068]], "pbc": [true, true, true], "a":... | 0.335462 | 0.388592 | [
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-0.0... | 6 | 6 | 0.806826 | 0.149152 | 0.940714 | 0.107778 | mattergen | mattergen_base |
mtgn_3337790_Tl4I1Br3 | Tl4 I1 Br3 | Tl8 I2 Br6 | C2/m | 12 | 0.000209 | 2025-12-16 01:21:49 | 1,064 | 2.291139 | 2.297569 | 2.297721 | 0.00643 | 0.000152 | 0.006582 | 0.006582 | -22.090766 | 0.01089 | 0.011077 | 0.011076 | -22.553793 | 0.005166 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.87553731719167, 0.0063615563699063, 0.0012945500782593], [-2.4487625399571495, 7.978229878674572, -1.4298046950181422], [-0.0021668875764418, 0.0056079870413925, 8.463840339510634]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.835387831972387, 0.00585678427762918, 0.00021063819574223926], [-2.429063093568489, 7.945746780034581, -1.4358554867661215], [-0.003996571983160288, -0.010408997486013934, 8.413588897939677]], "pbc": [true, true, true... | 0.011014 | 0.011077 | [
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mtgn_3551763_Cs2Ce1Pb1S4 | Cs2 Ce1 Pb1 S4 | Cs2 Ce1 Pb1 S4 | P2/m | 10 | 0.000088 | 2025-12-16 03:37:02 | 1,064 | 2.968606 | 3.17439 | 2.671275 | 0.205783 | 0.503114 | 0.297331 | 0.503114 | -38.223427 | 0.237536 | 0.40466 | 0.110958 | -38.254467 | 0.001813 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.243894320434458, -0.0003536205113115, -0.0013985075958881], [-0.0006550719270231, 7.076007970563404, -2.155615505840551], [0.0013954039905406, 0.0272771901373152, 8.36952399802692]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.280657894538915, -4.347677477676868e-05, -0.0014522243392195322], [-0.00012223920266660795, 7.1538023089120575, -2.1898717902032336], [0.0012916558430696792, -0.018512791044877745, 8.350971222272616]], "pbc": [true, t... | 0.251051 | 0.40466 | [
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mtgn_3048708_Sr6Ga2 | Sr6 Ga2 | Sr6 Ga2 | P6_3/m | 176 | -0.000374 | 2025-12-16 00:27:12 | 1,064 | 3.25928 | 4.180386 | 4.177686 | 0.921106 | 0.0027 | 0.918407 | 0.921106 | -17.159786 | 4.007281 | 3.908072 | 3.906528 | -17.949682 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.493400558281998, 0.0013437440043975, -0.0043274993385709], [-0.0049725904739358, 7.0418199019967975, -4.064859992855274], [0.0065528969867267, 0.0037126554951001, 8.129510563916606]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.661836765158377, 0.000934657445871744, -0.0034160193878503362], [-0.005610386104405525, 8.092397461897415, -4.671540299576223], [0.007491433827911929, 0.006257750185568551, 9.346292948409143]], "pbc": [true, true, tru... | 3.940627 | 4.007281 | [
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mtgn_671707_Rb2H2F4 | Rb2 H2 F4 | Rb2 H2 F4 | Pnnm | 58 | -0.001373 | 2025-12-16 02:35:57 | 1,064 | 1.35174 | 1.365211 | 1.383799 | 0.013471 | 0.018589 | 0.03206 | 0.03206 | -34.12166 | 0.00037 | 0.000403 | 0.000397 | -34.527706 | 0.005512 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.336828753133422, -0.0037892777872236, 0.0056454854655883], [0.0087877967528117, 6.624690950952545, -0.0043972768125477], [-0.0032660357379412, -0.0001104162313516, 5.425269708114702]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.344704320200298, -0.0018075203637513719, 0.0047924761157494816], [0.011797857444943525, 6.58827875019089, -0.008173663564883022], [-0.004376459660490321, -0.0031633791518050594, 5.462807047431903]], "pbc": [true, true... | 0.00039 | 0.000403 | [
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mtgn_633154_K2Mg1Fe1O4 | K2 Mg1 Fe1 O4 | K4 Mg2 Fe2 O8 | I-4 | 82 | 0.008839 | 2025-12-16 03:13:03 | 1,064 | 2.116331 | 2.077912 | 2.062273 | 0.038419 | 0.015639 | 0.054058 | 0.054058 | -45.457467 | 0.241574 | 0.217069 | 0.207053 | -42.361691 | 0.00447 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.91246545438729, 0.0676356687383837, -2.450517117809278], [-3.0334030315500287, 4.537042997855716, -0.5817276396102893], [0.0584471721880046, -0.0932898858822449, 5.487772060897362]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.958082210716603, 0.03387354516148724, -2.498955223115765], [-3.0707621687821343, 4.592330311611871, -0.5476186761390105], [0.03654380952704727, -0.06020237220866714, 5.5508786628191045]], "pbc": [true, true, true], "a... | 0.221899 | 0.241574 | [
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mtgn_3063933_Ba3Na1Hg4 | Ba3 Na1 Hg4 | Ba9 Na3 Hg12 | R-3m | 166 | 0.000129 | 2025-12-16 06:58:37 | 1,064 | 2.61857 | 2.455442 | 3.304931 | 0.163128 | 0.849488 | 0.686361 | 0.849488 | -11.329395 | 4.66413 | 4.579705 | 4.432287 | -11.901663 | 0.010072 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.518517028609652, -0.0110543382013523, 1.6550523930693997], [2.5078072345474767, 4.91635760719172, 1.6552994586184222], [0.0248659466211294, 0.014904756033355, 9.958626896315197]], "pbc": [true, true, true], "a": 5.761... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.6106844116242955, -0.0016999345437910603, 1.6822766760473669], [2.5581999519093888, 4.994569237915337, 1.6824627813480286], [0.002748704541272111, 0.0012615306805770176, 10.197706326606177]], "pbc": [true, true, true]... | 4.558707 | 4.66413 | [
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mtgn_3249485_K4In2Pb2 | K4 In2 Pb2 | K4 In2 Pb2 | P2_1/m | 11 | -0.000617 | 2025-12-16 05:26:01 | 1,064 | 3.722294 | 3.565651 | 4.086454 | 0.156643 | 0.520803 | 0.36416 | 0.520803 | -17.518982 | 2.366807 | 1.008497 | 2.66002 | -18.522129 | 0.03104 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1103385638083365, -0.0010119048269327, 0.0047804550064363], [0.0030714039648955, 7.002766584190945, -2.4828201718208063], [-0.0068977007563151, 0.1273507836757622, 8.689306637943721]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.168538967991314, -0.00023263848771004197, 0.004374700204494877], [0.004413732496004269, 7.3229248846232355, -2.439114508391567], [-0.0077315518142414994, 0.22525243223430028, 8.790816170050434]], "pbc": [true, true, t... | 2.011775 | 2.66002 | [
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mtgn_3701324_Sr1Cd1Ag2O4 | Sr1 Cd1 Ag2 O4 | Sr2 Cd2 Ag4 O8 | I-42m | 121 | 0.00521 | 2025-12-16 01:16:08 | 1,064 | 2.743494 | 3.295198 | 2.954698 | 0.551704 | 0.3405 | 0.211204 | 0.551704 | -35.711462 | 0.335649 | 0.610434 | 0.445579 | -36.098724 | 0.007696 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.236168959458402, 0.019461115130232, -1.1862517410907694], [-2.6418630928795492, 4.176548213483794, -2.097690082957251], [0.0096705126778788, 0.0078219625014032, 5.367550235394407]], "pbc": [true, true, true], "a": 5.3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.297214151035734, 0.016354896209574577, -1.181120548585339], [-2.6844182624531623, 4.210955480632084, -2.1290164418637816], [0.02776076683566965, 0.00717268736142451, 5.423701680007875]], "pbc": [true, true, true], "a"... | 0.463887 | 0.610434 | [
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mtgn_803205_Na1Ca2Mg1Tl4 | Na1 Ca2 Mg1 Tl4 | Na2 Ca4 Mg2 Tl8 | C2/m | 12 | -0.000294 | 2025-12-16 00:26:41 | 1,064 | 2.340269 | 2.602626 | 2.576584 | 0.262357 | 0.026042 | 0.236315 | 0.262357 | -17.618512 | 3.892629 | 3.720223 | 3.623615 | -18.551857 | 0.015806 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.086103184480785, 0.0125374392584635, 1.6001289410820696], [2.3204129775997915, 4.526442560488706, 1.5996882847044396], [0.0579253325544926, 0.0357769442837598, 9.306594882395592]], "pbc": [true, true, true], "a": 5.33... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.178516810102342, -7.127074862408696e-05, 1.5707946348386514], [2.3511977889668736, 4.615564493584816, 1.5701621668178658], [0.003077179374149917, 0.0017881857469928745, 9.313248742533023]], "pbc": [true, true, true], ... | 3.745489 | 3.892629 | [
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mtgn_813279_Rb1H4N1Cl2 | Rb1 H4 N1 Cl2 | Rb1 H4 N1 Cl2 | Pmm2 | 25 | 0.000901 | 2025-12-16 04:40:45 | 1,064 | 1.610497 | 1.620649 | 1.626131 | 0.010151 | 0.005482 | 0.015634 | 0.015634 | -34.05721 | 0.001273 | 0.001296 | 0.001353 | -34.037609 | 0.011187 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.571824709678098, -0.0018275327870168, 0.0007279162822711], [0.0017862723848844, 4.796162625304236, 0.001116311435849], [-0.0027223035189979, -0.0020496232492177, 6.472959898885431]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.596619855095907, -0.0027242403320931036, 0.0010053400924020749], [0.0008861397479047361, 4.854615625130997, 0.0005563207769186219], [-0.0023526993312412412, -0.0028517926091829677, 6.569295943664986]], "pbc": [true, t... | 0.001307 | 0.001353 | [
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mtgn_3325004_K2Ni1Ge1O4 | K2 Ni1 Ge1 O4 | K4 Ni2 Ge2 O8 | C2 | 5 | 0.018185 | 2025-12-16 02:29:08 | 1,064 | 1.829042 | 1.883585 | 1.919789 | 0.054543 | 0.036205 | 0.090747 | 0.090747 | -43.118869 | 0.221345 | 0.161527 | 0.164289 | -41.770977 | 0.022225 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.826915062380645, 0.0090785982080753, -2.373195145820807], [-3.0173165642595343, 4.573136973148961, -0.8407057721912242], [0.0589819409910713, -0.107158096376741, 5.540177367688004]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.948503132583821, -0.017454101214057317, -2.4238470871385602], [-3.0293257510439022, 4.555294620912174, -0.6802302658679351], [-0.012191713235607042, 0.035585626074622664, 5.512671685616919]], "pbc": [true, true, true]... | 0.182387 | 0.221345 | [
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mtgn_3419769_Sr1Ge1P2Ir4 | Sr1 Ge1 P2 Ir4 | Sr1 Ge1 P2 Ir4 | P4/mmm | 123 | null | 2025-12-16 05:52:08 | null | null | null | null | null | null | null | null | null | null | null | null | -57.476505 | 0.019461 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.020440016796057, -8.94409792425e-05, -0.0003368521984796], [5.02883483063e-05, 4.020367856987955, -4.2342013846e-05], [4.27050569058e-05, -0.0006241126845954, 8.462057262172818]], "pbc": [true, true, true], "a": 4.020... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.03762372274936, -7.013529948826185e-05, -0.00031254905988182], [7.027394382280672e-05, 4.037963598504396, 0.0003392306610421867], [0.00020755262841997275, -3.435822773680148e-05, 8.756792606404279]], "pbc": [true, tru... | null | null | [
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mtgn_3659656_Ba3Pb1S4 | Ba3 Pb1 S4 | Ba9 Pb3 S12 | R3m | 160 | 0.000389 | 2025-12-16 06:22:42 | 1,064 | 2.570412 | 2.57014 | 2.570198 | 0.000273 | 0.000059 | 0.000214 | 0.000273 | -39.424626 | 0.014842 | 0.014805 | 0.014843 | -39.489079 | 0.005256 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.357973240028515, -0.001472003412659, -4.89935116262e-05], [-0.0015657142011121, 6.357812728348909, 5.42736563098e-05], [0.0002693928702691, -0.0005183631219631, 6.359753048778796]], "pbc": [true, true, true], "a": 6.3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.391627354449806, -0.02116759345266877, -0.020455958346281725], [-0.02125905333000528, 6.39084611308053, 0.020592944636416647], [-0.02014303060439029, 0.02002907332471941, 6.4098523180154405]], "pbc": [true, true, true... | 0.01483 | 0.014843 | [
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0.0... | 6 | 6 | 0.076645 | 0.02462 | 0.073837 | 0.019392 | mattergen | mattergen_base |
mtgn_3656977_Hf2Zn4Ga2 | Hf2 Zn4 Ga2 | Hf4 Zn8 Ga4 | Cmcm | 63 | -0.00029 | 2025-12-16 00:52:40 | 1,064 | 4.953416 | 5.571907 | 4.743633 | 0.618491 | 0.828274 | 0.209783 | 0.828274 | -32.13251 | 4.635669 | 3.41052 | 3.826023 | -33.672653 | 0.027311 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.413870177788854, -0.0016758294108424, 0.0016568197064585], [0.0028399635393733, 5.02911631100901, -2.4576906974941592], [-0.0021855416112467, -0.2720644403501611, 5.820865941548215]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.479025032236528, -0.0017284844666892157, 0.0016285598691732326], [0.0029136859568608784, 5.159522130652517, -2.5204015956593606], [-0.0022903757073768484, -0.33202377002319733, 5.861101599334979]], "pbc": [true, true,... | 3.957404 | 4.635669 | [
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mtgn_3388715_Sr1Pt1Cl6 | Sr1 Pt1 Cl6 | Sr3 Pt3 Cl18 | R-3m | 166 | 0.003715 | 2025-12-16 00:39:59 | 1,064 | 2.40546 | 2.474234 | 2.384472 | 0.068774 | 0.089761 | 0.020988 | 0.089761 | -28.181862 | 0.023218 | 0.025159 | 0.022563 | -28.316643 | 0.022093 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.068819017467728, 0.2116208836480591, -1.8875431148070356], [-2.576997782376128, 5.491596498412858, -1.8789407105283975], [0.1290575522527612, 0.2169833129837803, 6.379424677585196]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.283038707369325, 0.09207016444601504, -2.031672465942815], [-2.7826803553100103, 5.62866657864379, -2.0279940326518284], [0.05995197630541874, 0.09777704700252514, 6.630130056890601]], "pbc": [true, true, true], "a": ... | 0.023647 | 0.025159 | [
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0.0... | 6 | 6 | 0.38462 | 0.055023 | 0.49668 | 0.081265 | mattergen | mattergen_base |
mtgn_639108_Na1Cd1Ni2O4 | Na1 Cd1 Ni2 O4 | Na1 Cd1 Ni2 O4 | P2/m | 10 | 0.034459 | 2025-12-16 00:11:43 | 1,064 | 2.988444 | 3.014602 | 2.686806 | 0.026158 | 0.327797 | 0.301639 | 0.327797 | -40.113903 | 0.758287 | 0.666804 | 0.702656 | -35.863846 | 0.014555 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.022622166448968, 0.0014318126564496, -0.0012624980251328], [-0.0027138474085557, 5.031783410978491, -1.7431021458621112], [0.0022220319137622, 0.0111528143858771, 5.481153705082048]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.039697815690442, 0.0013107915586188451, -0.0012246640880876208], [-0.0030122594072989448, 5.1116913065367875, -1.8094744189645484], [0.0023593078224490092, -0.014849387879737146, 5.613053476931802]], "pbc": [true, tru... | 0.709249 | 0.758287 | [
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mtgn_3467227_Sr2H2O4 | Sr2 H2 O4 | Sr4 H4 O8 | Immm | 71 | 0.006031 | 2025-12-16 03:34:12 | 1,064 | 1.758979 | 1.78505 | 1.749286 | 0.026071 | 0.035763 | 0.009692 | 0.035763 | -44.467168 | 0.002501 | 0.001765 | 0.001715 | -44.595673 | 0.007451 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4789607124363124, 7.84256911841e-05, -1.053499016544988], [-0.6388156377851761, 4.799907598277973, -2.1110663857360246], [0.043432968319935, -0.047004883873719, 6.4222686910564555]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4945924720110946, -0.00020450773481890374, -1.0586835768863783], [-0.650745747416016, 4.890920497304748, -2.1500718366993925], [0.06110158789095878, -0.05855268772405896, 6.511561690412728]], "pbc": [true, true, true]... | 0.001994 | 0.002501 | [
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-0.028... | 6 | 6 | 0.045303 | -0.039385 | 0.063852 | -0.045437 | mattergen | mattergen_base |
mtgn_782626_Na1Os1Br6 | Na1 Os1 Br6 | Na1 Os1 Br6 | P312 | 149 | 0.001617 | 2025-12-16 05:18:02 | 1,064 | 1.887585 | 2.894631 | 2.902345 | 1.007046 | 0.007714 | 1.014759 | 1.014759 | -26.231842 | 1.895146 | 1.670386 | 1.668444 | -26.148169 | 0.036105 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.133753708287335, -0.009813614914809, 0.0386606193713077], [0.001053750270101, 5.9429081682904386, 3.4375702852640715], [-0.0228322501412974, -0.002229544086224, 6.864221005431057]], "pbc": [true, true, true], "a": 6.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.485161028016892, -0.009150149338621138, 0.04679181295312388], [0.005644617438471782, 6.241862629572061, 3.6104288926189296], [-0.017282699509082067, -0.00045509385811198647, 7.206095354753638]], "pbc": [true, true, tr... | 1.744659 | 1.895146 | [
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0.0258... | 6 | 6 | 0.067382 | 0.016512 | 0.101933 | 0.023348 | mattergen | mattergen_base |
mtgn_3316050_Cs2Na1P1O4 | Cs2 Na1 P1 O4 | Cs4 Na2 P2 O8 | I-4 | 82 | 0.002488 | 2025-12-16 07:13:18 | 1,064 | 1.728728 | 1.72841 | 1.728063 | 0.000318 | 0.000347 | 0.000665 | 0.000665 | -45.417257 | 0.001446 | 0.001446 | 0.001447 | -45.334881 | 0.013268 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.247095665358118, 0.004313424128531, -3.1021042437066098], [-1.8353357551572878, 4.919291616734569, -3.0930494727003133], [-0.0439307497590223, -0.0707511772688566, 5.917715836573287]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.305218248707458, 0.002389576745380237, -3.135824688711503], [-1.8571535465038318, 4.975833620519513, -3.126058480123864], [-0.042628620992808224, -0.06826413868043239, 5.985030342012353]], "pbc": [true, true, true], "... | 0.001446 | 0.001447 | [
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mtgn_776709_In1Ag2Bi1O4 | In1 Ag2 Bi1 O4 | In1 Ag2 Bi1 O4 | P2/m | 10 | null | 2025-12-16 07:11:54 | 1,064 | 2.691845 | 2.795194 | 2.534943 | 0.103349 | 0.26025 | 0.156902 | 0.26025 | -39.053577 | 0.020748 | 0.031751 | 0.015444 | -39.238052 | 0.006019 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4586742623280844, 0.0003336717930298, -0.0017372666704917], [-0.0018963350392939, 5.795608766173253, -1.8896897488110316], [0.0045674553171643, 0.0217459419759107, 6.713546120779051]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.500575110933883, 0.0006027071446616731, -0.001542737843512957], [-0.0015696382923047194, 5.8163854872579694, -1.8740479959447518], [0.00499824678511835, 0.039374919159632024, 6.712241342354093]], "pbc": [true, true, t... | 0.022648 | 0.031751 | [
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mtgn_3497010_K2Mn1W1N4 | K2 Mn1 W1 N4 | K4 Mn2 W2 N8 | I-4 | 82 | null | 2025-12-16 03:53:10 | 1,064 | 2.305622 | 2.316077 | 2.216462 | 0.010455 | 0.099616 | 0.08916 | 0.099616 | -60.307571 | 3.297483 | 3.272753 | 3.526273 | -60.759769 | 0.016109 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.0050599785228, -0.0070597506937637, -2.821721266061472], [-1.5925378897272833, 4.743000051962823, -2.822652839009864], [-0.0256262265887468, -0.0268544467931271, 5.819521553792935]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.994458376785483, 0.0005317943019502864, -2.8095512322843774], [-1.5847000356045644, 4.733254032003067, -2.815303428276928], [0.005575280432145708, 0.010611149976077077, 5.849791730429019]], "pbc": [true, true, true], ... | 3.365503 | 3.526273 | [
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0.05907144... | 6 | 6 | 0.537437 | 0.555713 | 0.549174 | 0.597447 | mattergen | mattergen_base |
mtgn_3368950_Al2Cd1Ag5 | Al2 Cd1 Ag5 | Al4 Cd2 Ag10 | I4/mmm | 139 | -0.000584 | 2025-12-16 03:55:07 | 1,064 | 5.311721 | 5.22919 | 4.261505 | 0.082531 | 0.967685 | 1.050216 | 1.050216 | -22.281084 | 2.235773 | 2.390466 | 1.722244 | -23.068142 | 0.003762 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.989605262960583, -0.0003551861838003, -1.0007617776151292], [-0.2508192243291793, 3.982068689688086, -1.0015993339463347], [0.0067660481842265, 0.0080345353471773, 8.507647346651462]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.090497196422836, 2.6136772543929865e-05, -1.0243718814012834], [-0.2566714642104589, 4.081982871148912, -1.0248286240671531], [-0.04363961069210266, -0.04481140940964497, 8.507112247597622]], "pbc": [true, true, true]... | 2.116161 | 2.390466 | [
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0.020669... | 6 | 6 | 0.378881 | 1.178875 | 0.345522 | 1.258599 | mattergen | mattergen_base |
mtgn_3453401_Sr2Cu2Sb4 | Sr2 Cu2 Sb4 | Sr4 Cu4 Sb8 | I4/mmm | 139 | 0.002084 | 2025-12-16 04:14:24 | 1,064 | 1.788093 | 1.78982 | 2.473359 | 0.001727 | 0.683539 | 0.685267 | 0.685267 | -31.243013 | 1.463515 | 1.461628 | 0.996196 | -32.106644 | 0.005869 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.316521727514606, 0.0007464327058026, -0.8783911708641701], [-0.1795311477977087, 4.313079679944054, -0.8794156641418175], [0.0451317332934718, 0.0509751499944941, 11.058973670809914]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.344715512669033, -0.0010932102633363521, -0.8927878900065501], [-0.18269410935648656, 4.343000749619796, -0.8945483093263044], [0.06337304828345522, 0.06820873369578755, 11.328767968584286]], "pbc": [true, true, true]... | 1.307113 | 1.463515 | [
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0.0142... | 1 | 1 | 0.284007 | 1.143495 | 0.234322 | 1.157103 | mattergen | mattergen_base |
mtgn_3519070_Sr1Re1F6 | Sr1 Re1 F6 | Sr3 Re3 F18 | R-3m | 166 | 0.007318 | 2025-12-16 00:31:14 | 1,064 | 1.704788 | 1.71152 | 1.700853 | 0.006732 | 0.010667 | 0.003935 | 0.010667 | -46.725746 | 0.001466 | 0.00149 | 0.00144 | -47.324356 | 0.005816 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.825568486862309, -0.002881357004321, -0.6184310208715067], [-0.7133617459060341, 4.772868834693098, -0.6093407806616411], [-0.0077626046558398, -0.010429460140742, 4.86501185199137]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.883085237187257, -0.01785508477775452, -0.6386075056981327], [-0.7365452584702654, 4.827931204719904, -0.6284678640036815], [-0.020543942837914567, -0.024319558897329983, 4.9245335311271745]], "pbc": [true, true, true... | 0.001466 | 0.00149 | [
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mtgn_3602125_Na1Li2Si1O4 | Na1 Li2 Si1 O4 | Na2 Li4 Si2 O8 | I-42m | 121 | 0.013605 | 2025-12-16 04:53:44 | 1,064 | 1.794955 | 1.753923 | 1.717918 | 0.041032 | 0.036004 | 0.077036 | 0.077036 | -47.311136 | 0.73896 | 0.680988 | 0.627649 | -47.340942 | 0.008686 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.3038151609800375, -0.1161385442196537, -2.5164754890938092], [-2.8608905796157957, 4.085994254390009, 0.0478862182727766], [-0.0807557756349206, 0.1130153405542214, 4.986110496535848]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.392146114316301, -0.28016537278708703, -2.698222654030325], [-2.957188226770956, 4.223880425284789, 0.24679550349844606], [-0.19617762261150481, 0.2787767457547929, 5.1512350980158335]], "pbc": [true, true, true], "a"... | 0.682532 | 0.73896 | [
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mtgn_2869149_Sr1Mn1F6 | Sr1 Mn1 F6 | Sr1 Mn1 F6 | P312 | 149 | 0.000383 | 2025-12-16 05:10:09 | 1,064 | 1.723489 | 1.723402 | 1.744109 | 0.000087 | 0.020707 | 0.02062 | 0.020707 | -45.168476 | 0.003829 | 0.00383 | 0.003956 | -43.474411 | 0.007539 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.328547478101559, -0.0204499259472357, 0.0050985072947338], [-2.6474918360124273, 4.623728713096035, 0.0094060702575725], [-0.0055310648870823, -0.0114003421309979, 5.070028747481305]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.427441508011629, -0.0173119956347412, 0.006379733919432876], [-2.6935692611458215, 4.7104155012517674, 0.009349165141802866], [-0.0043906358247836645, -0.010934252661536947, 5.053087457652707]], "pbc": [true, true, tr... | 0.003872 | 0.003956 | [
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mtgn_3580262_Na1Os1F6 | Na1 Os1 F6 | Na2 Os2 F12 | C2/m | 12 | 0.003399 | 2025-12-16 04:28:59 | 1,064 | 1.735861 | 1.746629 | 1.752915 | 0.010768 | 0.006286 | 0.017055 | 0.017055 | -40.025833 | 0.003543 | 0.003521 | 0.00348 | -40.405602 | 0.01639 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.94123344288998, 0.0195566503963706, -0.5012288997557415], [-2.0111009432758546, 4.508308755639692, -0.4885010530412772], [-0.0174765430121264, -0.0214817547101693, 5.164976492075265]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.094473047200106, -0.0010165800898731703, -0.5142249919542053], [-2.092789427193696, 4.638644205186661, -0.5015184884002565], [-0.024045800484504363, -0.031684042646307156, 5.237108718091829]], "pbc": [true, true, true... | 0.003515 | 0.003543 | [
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mtgn_3592247_Sr2Ni2P2N2 | Sr2 Ni2 P2 N2 | Sr2 Ni2 P2 N2 | P4/nmm | 129 | null | 2025-12-16 06:57:43 | 1,064 | 2.732441 | 2.732913 | 3.093755 | 0.000472 | 0.360842 | 0.361313 | 0.361313 | -48.843762 | 0.509544 | 0.508834 | 0.621866 | -49.385418 | 0.015315 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.777940355535607, -0.0008365824518615, 0.0005795043636939], [0.0009974619236414, 3.7775927912533986, 0.0015422016069789], [-0.0018599528602996, -0.0033593272238102, 8.283947981780269]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8455324730140417, -0.0009315395061639739, 0.0005763474189429147], [0.00093541925194852, 3.8455143435448886, 0.0014261995804085742], [-0.0018907559219611923, -0.0036638361525566042, 8.24739475707616]], "pbc": [true, tr... | 0.546748 | 0.621866 | [
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0.0479... | 6 | 6 | 0.122671 | 0.320504 | 0.128888 | 0.332357 | mattergen | mattergen_base |
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