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mtgn_3181966_K1Na1Bi2Au2 | K1 Na1 Bi2 Au2 | K1 Na1 Bi2 Au2 | P-3m1 | 164 | 0.000876 | 2025-11-13 04:53:30 | 1,064 | 5.832366 | 5.833374 | 2.752038 | 0.001008 | 3.081335 | 3.080328 | 3.081335 | -18.301573 | 1.446823 | 1.447601 | 0.929148 | -18.551992 | 0.016775 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.96547707538125, -0.0026950116318121, 0.000873525706859], [-2.480570925491537, 4.301772999651797, -0.0008967275405589], [-0.0016593243685515, 0.0005364864717477, 8.462743840793552]], "pbc": [true, true, true], "a": 4.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.96547707538125, -0.002695011631812062, 0.000873525706858997], [-2.480570925491537, 4.301772999651797, -0.0008967275405589313], [-0.0016593243685515367, 0.0005364864717476972, 8.462743840793552]], "pbc": [true, true, t... | 1.274524 | 1.447601 | [
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-0.0008434... | 6 | 6 | 0.704991 | 1.715312 | 0.68166 | 1.718554 | mattergen | mattergen_base |
mtgn_993352_K1Na2Sb1S4 | K1 Na2 Sb1 S4 | K2 Na4 Sb2 S8 | I-42m | 121 | -0.000105 | 2025-11-13 04:27:25 | 1,064 | 2.216552 | 2.20479 | 2.205266 | 0.011762 | 0.000476 | 0.011285 | 0.011762 | -31.010471 | 0.010061 | 0.009956 | 0.009976 | -30.917389 | 0.003252 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.105728902697886, -0.0831493874802843, -2.7187939060612494], [-2.6086803752320145, 5.521510023428349, -2.716212827649225], [0.0572083713117865, 0.0856999566795492, 6.684038136342014]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.105728902697886, -0.08314938748028428, -2.7187939060612494], [-2.6086803752320145, 5.521510023428349, -2.716212827649225], [0.05720837131178652, 0.0856999566795492, 6.684038136342014]], "pbc": [true, true, true], "a":... | 0.009997 | 0.010061 | [
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-0.016... | 6 | 6 | 0.082084 | 0.064221 | 0.082338 | 0.064106 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_3448777_K2P2O6 | K2 P2 O6 | K4 P4 O12 | Immm | 71 | null | 2025-11-13 03:45:43 | 1,064 | 1.494891 | 1.548419 | 1.549516 | 0.053527 | 0.001098 | 0.054625 | 0.054625 | -64.20961 | 0.000736 | 0.000904 | 0.000936 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.523870678004762, -0.0077205286351251, -1.6145529915893793], [-3.1694379757838016, 5.992253983128107, -1.713755419322694], [-0.0540599642490509, -0.0241387246595722, 6.988189299423488]], "pbc": [true, true, true], "a":... | null | 0.000859 | 0.000936 | null | [
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-0.... | null | 8 | null | null | 0.046641 | -0.009326 | mattergen | mattergen_base |
mtgn_864724_K1Br3 | K1 Br3 | K2 Br6 | C2/m | 12 | -0.001645 | 2025-11-13 09:01:51 | 1,064 | 2.566364 | 1.576548 | 3.119955 | 0.989816 | 1.543407 | 0.553591 | 1.543407 | -9.657757 | 0.05122 | 0.001744 | 0.073607 | -9.662373 | 0.021704 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.202592287231827, -0.0398794242608685, -0.5409190407509544], [-2.086871329640362, 4.349062569032075, -1.9917435961569727], [0.0395929460305401, 0.3314335087457684, 7.427915305469481]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.202592287231827, -0.039879424260868546, -0.5409190407509544], [-2.086871329640362, 4.349062569032075, -1.9917435961569727], [0.039592946030540144, 0.33143350874576843, 7.427915305469481]], "pbc": [true, true, true], "... | 0.04219 | 0.073607 | [
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0.00782102... | 6 | 6 | 0.678636 | 0.012853 | 0.689786 | 0.013734 | mattergen | mattergen_base |
mtgn_3274426_K1Rb1Rh1F6 | K1 Rb1 Rh1 F6 | K1 Rb1 Rh1 F6 | P312 | 149 | 0.002058 | 2025-11-13 03:27:07 | 1,064 | 1.597037 | 1.61513 | 1.615471 | 0.018094 | 0.00034 | 0.018434 | 0.018434 | -39.779536 | 0.011208 | 0.012104 | 0.012102 | -40.42889 | 0.004848 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.675786673096499, -0.0010237236331352, -0.0001861523067066], [-0.0001985692287854, 5.453326645774047, -3.150547843705975], [-0.0034441652102949, -0.0039791616768041, 6.299845592663208]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.675786673096499, -0.0010237236331351535, -0.00018615230670664094], [-0.00019856922878544857, 5.453326645774047, -3.150547843705975], [-0.0034441652102948856, -0.003979161676804128, 6.299845592663208]], "pbc": [true, t... | 0.011805 | 0.012104 | [
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-... | 6 | 6 | 0.251053 | 0.06414 | 0.256196 | 0.064104 | mattergen | mattergen_base |
mtgn_3477706_K1Rb2Cu2O4 | K1 Rb2 Cu2 O4 | K2 Rb4 Cu4 O8 | C2/m | 12 | 0.005076 | 2025-11-13 03:07:48 | 1,064 | 2.250327 | 1.780597 | 2.175905 | 0.469731 | 0.395309 | 0.074422 | 0.469731 | -38.927608 | 0.065368 | 0.018 | 0.040788 | -39.886963 | 0.007282 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.23160230128412, -0.0142112999105413, -2.3067869914801515], [-1.280478718750648, 5.144043184806262, -2.8194968465812615], [-0.0918032108345895, 0.0463505234439203, 7.005844088879978]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.23160230128412, -0.0142112999105413, -2.3067869914801515], [-1.280478718750648, 5.144043184806262, -2.8194968465812615], [-0.09180321083458948, 0.04635052344392034, 7.005844088879978]], "pbc": [true, true, true], "a":... | 0.041385 | 0.065368 | [
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-0.08597... | 6 | 6 | 0.582922 | 0.245445 | 0.594926 | 0.253518 | mattergen | mattergen_base |
mtgn_571901_K2Li2Te2 | K2 Li2 Te2 | K2 Li2 Te2 | P6_3/mmc | 194 | 0.00836 | 2025-11-13 05:13:55 | 1,064 | 2.239689 | 2.240157 | 2.252451 | 0.000469 | 0.012293 | 0.012762 | 0.012762 | -18.418159 | 0.010247 | 0.010267 | 0.011565 | -18.47327 | 0.001094 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.719931590905299, 0.0095008118559492, -0.0022415260677931], [-2.365333497995368, 4.085219013839045, -0.004355424390223], [0.0025913233256123, 0.0072977502770555, 9.885289393479862]], "pbc": [true, true, true], "a": 4.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.719931590905299, 0.00950081185594922, -0.0022415260677931498], [-2.365333497995368, 4.085219013839045, -0.004355424390223045], [0.0025913233256122676, 0.007297750277055484, 9.885289393479862]], "pbc": [true, true, tru... | 0.010693 | 0.011565 | [
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0.01036... | 1 | 1 | 0.099871 | 0.035941 | 0.099854 | 0.035931 | mattergen | mattergen_base finetuned on dn (NOEMD), k_1065 and k_1500 (JARVIS) |
mtgn_3646452_K1Cd1As1O4 | K1 Cd1 As1 O4 | K2 Cd2 As2 O8 | I-4 | 82 | 0.001374 | 2025-11-13 08:22:01 | 1,064 | 1.758753 | 1.752487 | 1.746543 | 0.006266 | 0.005944 | 0.01221 | 0.01221 | -36.349616 | 0.003412 | 0.003424 | 0.003435 | -36.596188 | 0.002896 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.079210742403138, -0.0249348334155392, -2.8614030999748095], [-3.3194197619275276, 4.7957610197546785, -0.0844331902232731], [-0.006354831300296, -0.0063099279340964, 5.8289328691476765]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.079210742403138, -0.024934833415539228, -2.8614030999748095], [-3.3194197619275276, 4.7957610197546785, -0.08443319022327314], [-0.006354831300296016, -0.006309927934096382, 5.8289328691476765]], "pbc": [true, true, t... | 0.003424 | 0.003435 | [
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-... | 0 | 0 | 0.0678 | -0.014748 | 0.067534 | -0.014304 | mattergen | mattergen_base |
mtgn_795699_K2Cd2Cu2S4 | K2 Cd2 Cu2 S4 | K4 Cd4 Cu4 S8 | C2/c | 15 | 0.001195 | 2025-11-13 08:18:27 | 1,064 | 2.36618 | 2.434347 | 2.349405 | 0.068167 | 0.084943 | 0.016775 | 0.084943 | -34.61942 | 0.010418 | 0.012139 | 0.010152 | -35.758709 | 0.003543 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.945695391572956, 0.0055616297359328, -1.7804030420170631], [-0.590608646334044, 6.8419566059985, -1.6344713470822534], [-0.0197051884627317, 0.0379384975024251, 7.6637464596980385]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.945695391572956, 0.005561629735932846, -1.7804030420170631], [-0.590608646334044, 6.8419566059985, -1.6344713470822534], [-0.019705188462731678, 0.037938497502425096, 7.6637464596980385]], "pbc": [true, true, true], "... | 0.010903 | 0.012139 | [
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mtgn_755108_K1Na2Al1F6 | K1 Na2 Al1 F6 | K3 Na6 Al3 F18 | R3 | 146 | 0.004646 | 2025-11-13 04:46:44 | 1,064 | 1.367589 | 1.367699 | 1.366968 | 0.00011 | 0.000731 | 0.000622 | 0.000731 | -49.599598 | 0.000402 | 0.000402 | 0.000402 | -49.974072 | 0.012708 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.046240884422732, -0.0091915097000338, 2.689688875938872], [1.8114269904918074, 4.706403609915979, 2.6965963608176815], [-0.0061465177142626, -0.0133855897102548, 6.097675117493142]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.046240884422732, -0.009191509700033762, 2.689688875938872], [1.8114269904918074, 4.706403609915979, 2.6965963608176815], [-0.006146517714262567, -0.013385589710254768, 6.097675117493142]], "pbc": [true, true, true], "... | 0.000402 | 0.000402 | [
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-0.10846... | 0 | 0 | 0.159193 | -0.030794 | 0.159261 | -0.030992 | mattergen | mattergen_base |
mtgn_3532533_K2In2Te4 | K2 In2 Te4 | K4 In4 Te8 | C2/m | 12 | 0.000764 | 2025-11-13 05:54:15 | 1,064 | 2.964152 | 2.763157 | 2.833522 | 0.200995 | 0.070365 | 0.13063 | 0.200995 | -25.071664 | 0.296982 | 0.18231 | 0.090259 | -25.826498 | 0.015052 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.333630310738045, -0.0053289103188173, -1.1044341419151338], [-0.6794312471285804, 7.90435145100947, -2.703561415982741], [0.0794300782108798, -0.0385319840918122, 9.366797482815388]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.333630310738045, -0.0053289103188173485, -1.1044341419151338], [-0.6794312471285804, 7.90435145100947, -2.703561415982741], [0.07943007821087983, -0.038531984091812174, 9.366797482815388]], "pbc": [true, true, true], ... | 0.18985 | 0.296982 | [
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0.0055... | 1 | 1 | 0.326462 | 0.147314 | 0.321248 | 0.147888 | mattergen | mattergen_base |
mtgn_607933_K1Rb1Sb2Pt2 | K1 Rb1 Sb2 Pt2 | K2 Rb2 Sb4 Pt4 | Cm | 8 | -0.000025 | 2025-11-13 03:20:24 | 1,064 | 4.944828 | 3.476053 | 2.801451 | 1.468775 | 0.674602 | 2.143377 | 2.143377 | -25.195114 | 4.149942 | 1.550336 | 0.772546 | -25.252569 | 0.022665 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.691106580253966, -0.0005576177297203, -0.0020047266454359], [-2.345584062324236, 6.273607880724546, -2.4952168893590687], [0.0023826613739078, -0.3906224419096417, 6.601912060922024]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.690294179008163, -0.0005497539613845478, -0.00199962765195128], [-2.345171707359983, 6.269227730486882, -2.4978721057576596], [0.0023900446682543486, -0.39182182913998614, 6.605228700208821]], "pbc": [true, true, true... | 2.157608 | 4.149942 | [
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0.0032668... | 6 | 6 | 3.000621 | 0.702186 | 3.02419 | 0.722176 | mattergen | mattergen_base |
mtgn_2946628_K2Ge2Cl6 | K2 Ge2 Cl6 | K4 Ge4 Cl12 | Cc | 9 | 0.000733 | 2025-11-13 07:15:16 | 1,064 | 1.682976 | 1.702677 | 1.715899 | 0.019701 | 0.013222 | 0.032923 | 0.032923 | -35.197914 | 0.002733 | 0.002995 | 0.003147 | -35.421532 | 0.012884 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.567794962517371, -0.0474062079513435, -1.1564980269795837], [-3.6436298659471604, 6.663854041214144, -1.1958121571991258], [-0.0408779800639333, -0.0276383385130251, 7.997401616195289]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[7.567794962517371, -0.04740620795134353, -1.1564980269795837], [-3.6436298659471604, 6.663854041214144, -1.1958121571991258], [-0.04087798006393328, -0.027638338513025076, 7.997401616195289]], "pbc": [true, true, true],... | 0.002959 | 0.003147 | [
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-0.033... | 6 | 6 | 0.103527 | 0.050104 | 0.104052 | 0.051372 | mattergen | mattergen_base |
mtgn_610732_K2Rb6Pb2 | K2 Rb6 Pb2 | K2 Rb6 Pb2 | P1 | 1 | 0.003052 | 2025-11-13 02:50:21 | 1,064 | 2.323827 | 2.625967 | 2.643871 | 0.30214 | 0.017904 | 0.320043 | 0.320043 | -15.030751 | 2.945959 | 2.361758 | 2.267433 | -15.689804 | 0.033792 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.864167080508654, -0.2717671033696339, 2.4051910438941952], [2.9244491153340126, 8.795607595183975, -0.0231267863463536], [-0.0205244895539008, -0.037801012558483, 9.304237681472195]], "pbc": [true, true, true], "a": 9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[8.689336395731425, -0.26964836891201294, 2.428254875346409], [2.8647212944125444, 8.60686089965697, -0.029379526890320203], [0.061582413796144195, -0.07133165920681332, 9.088528310752384]], "pbc": [true, true, true], "a... | 2.52505 | 2.945959 | [
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-0.14477... | 6 | 6 | 0.476248 | 1.843049 | 0.479535 | 1.894061 | mattergen | mattergen_base finetuned on dn (NOEMD) |
mtgn_3632981_K2Na2C2N4 | K2 Na2 C2 N4 | K1 Na1 C1 N2 | Pmmm | 47 | 0.005368 | 2025-11-13 04:09:12 | 1,064 | 1.555668 | 1.543406 | 2.046885 | 0.012262 | 0.503479 | 0.491217 | 0.503479 | -60.672091 | 0.001703 | 0.00162 | 0.00618 | -60.857239 | 0.000804 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.727367224217597, -0.0356046270565313, -0.0073794248058933], [-1.2878025791612173, 5.580564596479723, -0.0084058222030567], [0.0023036923456244, 0.004757082063688, 5.857674440342728]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.727367224217597, -0.03560462705653131, -0.007379424805893251], [-1.2878025791612173, 5.580564596479723, -0.008405822203056695], [0.002303692345624406, 0.0047570820636879604, 5.857674440342728]], "pbc": [true, true, tr... | 0.003168 | 0.00618 | [
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0.0600934... | 6 | 6 | 0.390732 | 0.115506 | 0.389979 | 0.115901 | mattergen | mattergen_base |
mtgn_3061284_K2Ge2H2 | K2 Ge2 H2 | K2 Ge2 H2 | P2_1/m | 11 | 0.001373 | 2025-11-13 07:03:08 | 1,064 | 5.089205 | 2.309366 | 2.485681 | 2.779839 | 0.176315 | 2.603524 | 2.779839 | -18.827186 | 1.369929 | 0.083486 | 0.228931 | -19.110512 | 0.006131 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.365677997045365, -0.0006532989490969, -0.0008080812158947], [0.0003089776946157, 4.710706710473101, -2.1193186507505843], [0.0013457004404348, -0.0556122569375465, 6.968826325417995]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.365677997045365, -0.0006532989490968989, -0.0008080812158947342], [0.0003089776946156822, 4.710706710473101, -2.1193186507505843], [0.0013457004404347666, -0.05561225693754647, 6.968826325417995]], "pbc": [true, true,... | 0.560782 | 1.369929 | [
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mtgn_3267257_K2Li2Cd2S4 | K2 Li2 Cd2 S4 | K2 Li2 Cd2 S4 | Pm | 6 | 0.001773 | 2025-11-13 05:32:02 | 1,064 | 2.236139 | 2.150624 | 2.266632 | 0.085515 | 0.116008 | 0.030493 | 0.116008 | -34.105057 | 0.010912 | 0.009253 | 0.011008 | -34.613129 | 0.023106 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.306931525704652, 0.0020799547192561, -0.0004713142335351], [-0.0034389834312311, 6.952462949661579, -2.32346537399222], [0.0012377046660887, -0.043136672303117, 8.585539656497623]], "pbc": [true, true, true], "a": 4.3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.306931525704652, 0.0020799547192561054, -0.0004713142335351222], [-0.0034389834312310756, 6.952462949661579, -2.32346537399222], [0.001237704666088654, -0.04313667230311699, 8.585539656497623]], "pbc": [true, true, tr... | 0.010391 | 0.011008 | [
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-0.004... | 6 | 6 | 0.060065 | 0.096102 | 0.057346 | 0.098568 | mattergen | mattergen_base |
mtgn_993286_K2Rb4As2 | K2 Rb4 As2 | K2 Rb4 As2 | P2_1/m | 11 | -0.000224 | 2025-11-13 03:12:50 | 1,064 | 2.678881 | 2.640962 | 2.776551 | 0.037919 | 0.135589 | 0.097671 | 0.135589 | -17.370865 | 0.617497 | 1.642583 | 1.427598 | -17.797297 | 0.015255 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.232053202156801, -0.0008109073477456, -0.0002090273439062], [0.0025651899108799, 7.7206471657916325, -4.7078288050336825], [-0.0004349274199282, 0.0294841327447004, 9.403519780748345]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.232053202156801, -0.0008109073477456391, -0.00020902734390621346], [0.002565189910879875, 7.7206471657916325, -4.7078288050336825], [-0.0004349274199281824, 0.02948413274470042, 9.403519780748345]], "pbc": [true, true... | 1.229226 | 1.642583 | [
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-0.04584... | 1 | 1 | 0.15443 | 0.899387 | 0.139255 | 0.898984 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_989384_K2Ge2F6 | K2 Ge2 F6 | K2 Ge2 F6 | P-1 | 2 | 0.001062 | 2025-11-13 07:19:38 | 1,064 | 1.501467 | 1.604808 | 1.556183 | 0.103341 | 0.048625 | 0.054716 | 0.103341 | -46.624711 | 0.001299 | 0.002773 | 0.002024 | -47.340542 | 0.02679 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.813623573655119, 0.0049135453547148, -1.4290280451319506], [0.290697018416282, 6.140622685913082, -1.1299508401086142], [0.0690035248072561, 0.0517542187302407, 7.449200367246924]], "pbc": [true, true, true], "a": 5.0... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.813623573655119, 0.004913545354714824, -1.4290280451319506], [0.29069701841628204, 6.140622685913082, -1.1299508401086142], [0.06900352480725613, 0.051754218730240734, 7.449200367246924]], "pbc": [true, true, true], "... | 0.002032 | 0.002773 | [
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... | 0 | 0 | 0.183865 | -0.07583 | 0.176513 | -0.080901 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_3567527_K1H1 | K1 H1 | K1 H1 | P-6m2 | 187 | 0.025089 | 2025-11-13 06:52:37 | 1,064 | 1.718638 | 1.717533 | 1.717795 | 0.001105 | 0.000262 | 0.000843 | 0.001105 | -4.727301 | 0.004102 | 0.004279 | 0.004279 | -4.766507 | 0 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.517723455441009, 9.3701398391e-06, -0.0003336170091331], [-0.0005829816894588, 3.3422961160142304, -1.930116133369592], [6.9207575158e-06, 0.0008754874667047, 3.860114779052011]], "pbc": [true, true, true], "a": 3.517... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.517723455441009, 9.370139839132427e-06, -0.00033361700913309454], [-0.0005829816894588221, 3.3422961160142304, -1.930116133369592], [6.920757515754428e-06, 0.0008754874667046512, 3.860114779052011]], "pbc": [true, tru... | 0.00422 | 0.004279 | [
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-0.05509... | 6 | 6 | 0.437194 | 1.534378 | 0.437194 | 1.534378 | mattergen | mattergen_base |
mtgn_602869_K2In2Bi2 | K2 In2 Bi2 | K4 In4 Bi4 | C2/m | 12 | 0.000283 | 2025-11-13 06:08:16 | 1,064 | 4.629933 | 3.862779 | 4.926645 | 0.767154 | 1.063865 | 0.296712 | 1.063865 | -16.745805 | 0.991353 | 1.328745 | 1.378778 | -17.1401 | 0.022887 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.511993029786802, -0.0045283940070885, 1.9238959126200639], [2.5935172371816395, 7.395146798725977, 0.182643722425304], [-0.1450229311540709, -0.1738778464143732, 6.593361546195228]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.511993029786802, -0.0045283940070885405, 1.9238959126200639], [2.5935172371816395, 7.395146798725977, 0.182643722425304], [-0.14502293115407092, -0.17387784641437318, 6.593361546195228]], "pbc": [true, true, true], "a... | 1.232959 | 1.378778 | [
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-0.057... | 6 | 6 | 0.975038 | 1.167361 | 0.99015 | 1.158109 | mattergen | mattergen_base |
mtgn_3418652_K1Na1In2O4 | K1 Na1 In2 O4 | K1 Na1 In2 O4 | P2/m | 10 | 0.00317 | 2025-11-13 04:04:10 | 1,064 | 2.106507 | 2.097324 | 2.023406 | 0.009183 | 0.073918 | 0.083101 | 0.083101 | -40.208132 | 0.00845 | 0.008344 | 0.00855 | -40.376545 | 0.003569 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.328005061012639, -0.001511383720653, 0.0013436071342542], [0.0033826943066723, 5.479700080217862, -1.803786919530694], [-0.0013553645325469, -0.0033053121070918, 6.2339016467441155]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.328005061012639, -0.0015113837206530277, 0.001343607134254168], [0.003382694306672323, 5.479700080217862, -1.803786919530694], [-0.0013553645325469334, -0.0033053121070918345, 6.2339016467441155]], "pbc": [true, true,... | 0.008448 | 0.00855 | [
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mtgn_642711_K1Rb2In2S4 | K1 Rb2 In2 S4 | K1 Rb2 In2 S4 | Pm | 6 | null | 2025-11-13 03:07:30 | 1,064 | 2.098518 | 2.260745 | 2.421289 | 0.162227 | 0.160543 | 0.322771 | 0.322771 | -32.211677 | 0.063855 | 0.119032 | 0.477638 | -33.084671 | 0.013376 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.249153436272765, -0.0014751798824823, -0.001820051249494], [0.0025553318794895, 8.01199881243692, -1.4251007671348719], [0.0029467612185364, 0.013727963699046, 8.993832908383675]], "pbc": [true, true, true], "a": 4.24... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.249153436272765, -0.0014751798824822956, -0.00182005124949397], [0.002555331879489504, 8.01199881243692, -1.4251007671348719], [0.0029467612185364207, 0.013727963699045973, 8.993832908383675]], "pbc": [true, true, tru... | 0.220175 | 0.477638 | [
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mtgn_612163_K1Bi1F4 | K1 Bi1 F4 | K1 Bi1 F4 | P4/mmm | 123 | 0.000011 | 2025-11-13 09:14:32 | 1,064 | 1.746541 | 1.746942 | 1.703967 | 0.000401 | 0.042975 | 0.042574 | 0.042975 | -27.790598 | 0.002233 | 0.002261 | 0.001966 | -28.201393 | 0.001212 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.026040506790631, 0.002249657860193, 0.0012079348858757], [-0.0022022595403701, 4.029854297002742, -0.0037684430551349], [-0.0014483428958428, 0.0055712854386701, 6.2327278339929295]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.026902958433054, 0.0022118010246382777, 0.0012289266801664453], [-0.0022401679589240746, 4.029088840075449, -0.003928331913852316], [-0.001418852365594473, 0.005331625758368939, 6.241987593507824]], "pbc": [true, true... | 0.002153 | 0.002261 | [
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mtgn_814520_K2H2F4 | K2 H2 F4 | K2 H2 F4 | Pnnm | 58 | -0.000845 | 2025-11-13 06:39:28 | 1,064 | 1.326348 | 1.362388 | 1.344098 | 0.036039 | 0.018289 | 0.01775 | 0.036039 | -34.465916 | 0.000339 | 0.000367 | 0.000335 | -34.912216 | 0.000851 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.107451394588676, -4.92762772053e-05, 0.0002780865136107], [-0.0138594497990868, 5.188361167231554, 0.007992438611098], [-0.0078475070381386, -0.0007138891229381, 6.3941904049282146]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.107451394588676, -4.92762772053072e-05, 0.00027808651361073514], [-0.013859449799086834, 5.188361167231554, 0.007992438611097956], [-0.007847507038138649, -0.0007138891229381498, 6.3941904049282146]], "pbc": [true, tr... | 0.000347 | 0.000367 | [
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mtgn_3356187_K2Ge2Pd2 | K2 Ge2 Pd2 | K2 Ge2 Pd2 | P4/nmm | 129 | 0.000056 | 2025-11-13 07:02:27 | 1,064 | 4.029893 | 4.029874 | 4.246741 | 0.00002 | 0.216867 | 0.216847 | 0.216867 | -23.633923 | 1.338522 | 1.339657 | 2.016335 | -24.000393 | 0.028419 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.504799926581543, -0.0064091477529761, 0.0007282458406052], [0.0054946149474602, 4.50474402771851, 0.0002861280294928], [-0.0018912450672134, -0.0010074098222104, 8.223343400076587]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.504799926581543, -0.006409147752976053, 0.0007282458406052184], [0.0054946149474602414, 4.50474402771851, 0.0002861280294927528], [-0.0018912450672133622, -0.0010074098222103563, 8.223343400076587]], "pbc": [true, tru... | 1.564838 | 2.016335 | [
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mtgn_3423921_K1Li1Ta2O6 | K1 Li1 Ta2 O6 | K2 Li2 Ta4 O12 | Amm2 | 38 | 0.004195 | 2025-11-13 05:15:44 | 1,064 | 2.374869 | 2.14931 | 2.193202 | 0.22556 | 0.043893 | 0.181667 | 0.22556 | -82.767741 | 0.010211 | 0.005653 | 0.006019 | -82.893288 | 0.006776 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9502893268100596, 0.0001887904974511, 0.0016466004715623], [0.0006581263017326, 5.234236630396153, -2.647846592473148], [-0.0024992053047292, 0.000960269792408, 6.503284339221103]], "pbc": [true, true, true], "a": 3.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9502893268100596, 0.0001887904974511059, 0.0016466004715623228], [0.0006581263017325733, 5.234236630396153, -2.647846592473148], [-0.0024992053047292267, 0.0009602697924079985, 6.503284339221103]], "pbc": [true, true,... | 0.007294 | 0.010211 | [
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mtgn_671576_K1Ba1W1O4 | K1 Ba1 W1 O4 | K2 Ba2 W2 O8 | I4mm | 107 | 0.019273 | 2025-11-13 09:35:31 | 1,064 | 2.083289 | 2.089944 | 2.299909 | 0.006655 | 0.209965 | 0.21662 | 0.21662 | -51.571865 | 0.056521 | 0.055384 | 0.019588 | -45.981815 | 0.008229 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.955159114351646, -0.0006795161634409, -1.1807715703781927], [-0.3521079408419688, 3.9391424336627368, -1.181770060876126], [0.0254069694835825, 0.0284234931282554, 7.304120513884071]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.955159114351646, -0.0006795161634409414, -1.1807715703781927], [-0.35210794084196884, 3.9391424336627368, -1.181770060876126], [0.025406969483582526, 0.028423493128255442, 7.304120513884071]], "pbc": [true, true, true... | 0.043831 | 0.056521 | [
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mtgn_3239984_K1Na2As1O4 | K1 Na2 As1 O4 | K2 Na4 As2 O8 | I-42m | 121 | -0.000007 | 2025-11-13 04:41:50 | 1,064 | 1.68529 | 1.686329 | 1.686684 | 0.001038 | 0.000356 | 0.001394 | 0.001394 | -42.053002 | 0.001958 | 0.001987 | 0.002016 | -41.893753 | 0.001722 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.945179007613327, -0.0140902160025547, -2.5890251313927957], [-3.133088014488901, 4.60386584344014, -0.4135663785002228], [-0.0068772329484422, 0.0190337714160267, 5.583495729112935]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.945179007613327, -0.014090216002554746, -2.5890251313927957], [-3.133088014488901, 4.60386584344014, -0.41356637850022276], [-0.0068772329484421595, 0.019033771416026708, 5.583495729112935]], "pbc": [true, true, true]... | 0.001987 | 0.002016 | [
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mtgn_3179632_K1In1Ag2F6 | K1 In1 Ag2 F6 | K3 In3 Ag6 F18 | R-3 | 148 | 0.000561 | 2025-11-13 06:10:01 | 1,064 | 1.623055 | 1.625272 | 1.616077 | 0.002217 | 0.009195 | 0.006978 | 0.009195 | -39.721566 | 0.002865 | 0.002984 | 0.002444 | -40.683952 | 0.013684 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.4439612529487516, -0.0080882518263042, 3.106551839347843], [1.7986242102628565, 5.14000863645328, 3.1066788991675662], [-0.011738207442111, -0.0095001698395366, 6.269719085379861]], "pbc": [true, true, true], "a": 6.2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.4439612529487516, -0.008088251826304169, 3.106551839347843], [1.7986242102628565, 5.14000863645328, 3.1066788991675662], [-0.01173820744211105, -0.009500169839536603, 6.269719085379861]], "pbc": [true, true, true], "a... | 0.002764 | 0.002984 | [
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-0.... | 6 | 6 | 0.056974 | 0.055361 | 0.059364 | 0.053326 | mattergen | mattergen_base |
mtgn_684382_K1Li1Cu2As2 | K1 Li1 Cu2 As2 | K1 Li1 Cu2 As2 | P-3m1 | 164 | -0.000303 | 2025-11-13 05:45:03 | 1,064 | 2.295913 | 2.295682 | 3.518311 | 0.000231 | 1.222629 | 1.222398 | 1.222629 | -21.702223 | 2.605651 | 2.604738 | 1.124773 | -22.594641 | 0.006119 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.153622173626336, -0.0013437188970162, 0.0003260479962513], [-2.075663372154324, 3.5975164993062783, 0.0014840619733312], [-0.003404212290391, -0.00654239917451, 7.850325747405984]], "pbc": [true, true, true], "a": 4.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.153622173626336, -0.001343718897016242, 0.00032604799625132855], [-2.075663372154324, 3.5975164993062783, 0.0014840619733312427], [-0.0034042122903910426, -0.00654239917450999, 7.850325747405984]], "pbc": [true, true,... | 2.11172 | 2.605651 | [
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0.007... | 6 | 6 | 0.216623 | 0.322198 | 0.214089 | 0.324705 | mattergen | mattergen_base |
mtgn_782700_K2P2H2 | K2 P2 H2 | K4 P4 H4 | C2/m | 12 | -0.000676 | 2025-11-13 03:45:22 | 1,064 | 1.958483 | 2.194661 | 2.146858 | 0.236178 | 0.047803 | 0.188375 | 0.236178 | -21.33662 | 0.018892 | 0.069555 | 0.097468 | -21.736042 | 0.008057 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.659511432701999, -0.032527464896988, -1.4291508854226707], [-2.213017969961266, 5.579758350724339, -0.5872065586738422], [-0.235442942131399, 0.258006821687237, 6.027013824863434]], "pbc": [true, true, true], "a": 4.8... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.659511432701999, -0.03252746489698797, -1.4291508854226707], [-2.213017969961266, 5.579758350724339, -0.5872065586738422], [-0.235442942131399, 0.25800682168723704, 6.027013824863434]], "pbc": [true, true, true], "a":... | 0.061972 | 0.097468 | [
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0.0040166... | 6 | 6 | 0.304928 | 0.323396 | 0.314125 | 0.31833 | mattergen | mattergen_base |
mtgn_1383330_K1In3I4 | K1 In3 I4 | K2 In6 I8 | Cmmm | 65 | 0.000041 | 2025-11-13 06:32:58 | 1,064 | 2.553208 | 2.566751 | 2.565398 | 0.013543 | 0.001353 | 0.01219 | 0.013543 | -20.678574 | 0.021718 | 0.024759 | 0.023856 | -21.198982 | 0.003241 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9921719484230005, 0.0008944677605003, 0.0001696844327366], [-0.0023130599731376, 8.162757483981366, -2.873416325104701], [0.0011315506835042, -0.007212461634583, 8.651686825163575]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.9921719484230005, 0.0008944677605002717, 0.00016968443273664277], [-0.002313059973137562, 8.162757483981366, -2.873416325104701], [0.0011315506835042394, -0.007212461634583013, 8.651686825163575]], "pbc": [true, true,... | 0.023444 | 0.024759 | [
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mtgn_1307819_K2Mg2Au2S4 | K2 Mg2 Au2 S4 | K4 Mg4 Au4 S8 | Cmme | 67 | 0.001231 | 2025-11-13 05:04:13 | 1,064 | 2.429361 | 2.374916 | 2.326903 | 0.054445 | 0.048013 | 0.102458 | 0.102458 | -38.192955 | 0.009673 | 0.011179 | 0.00881 | -38.573853 | 0.004134 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.668619179230805, 0.0022709954088087, -0.0053344158946114], [-0.0066452440958201, 5.883204254319441, -2.732628353206782], [0.0058703506415707, -0.0028283742942917, 7.6663896825760744]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.668619179230805, 0.0022709954088086922, -0.005334415894611437], [-0.0066452440958201155, 5.883204254319441, -2.732628353206782], [0.005870350641570711, -0.0028283742942917045, 7.6663896825760744]], "pbc": [true, true,... | 0.009888 | 0.011179 | [
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0.04180... | 6 | 6 | 0.054365 | 0.0908 | 0.057111 | 0.092348 | mattergen | mattergen_base |
mtgn_3623398_K1H3O2 | K1 H3 O2 | K2 H6 O4 | Amm2 | 38 | 0.008437 | 2025-11-13 06:47:02 | 1,064 | 1.457224 | 1.48654 | 1.469864 | 0.029316 | 0.016676 | 0.01264 | 0.029316 | -28.285364 | 0.001029 | 0.00111 | 0.000782 | -28.302282 | 0.004954 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.047897580253138, 0.0003660661818281, 1.8068924584835835], [-0.0048086019408733, 4.0648769287805555, 0.0108662657935487], [0.1514134509619842, -0.0232002884999531, 5.009979835376873]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.047897580253138, 0.00036606618182812424, 1.8068924584835835], [-0.004808601940873277, 4.0648769287805555, 0.0108662657935487], [0.1514134509619842, -0.023200288499953082, 5.009979835376873]], "pbc": [true, true, true]... | 0.000974 | 0.00111 | [
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mtgn_3046424_K1Pd2Pt1O6 | K1 Pd2 Pt1 O6 | K3 Pd6 Pt3 O18 | R-3 | 148 | 0.000852 | 2025-11-13 03:39:33 | 1,064 | 3.131247 | 3.198534 | 2.490041 | 0.067286 | 0.708493 | 0.641206 | 0.708493 | -54.057706 | 0.176096 | 0.185788 | 0.074858 | -53.704697 | 0.006705 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.028699593908148, 0.0003713700840055, 2.115738466221403], [2.065462377624805, 4.5803703312271455, 2.1256514163355726], [-0.0618537565271421, -0.0356013484032164, 7.154554307115431]], "pbc": [true, true, true], "a": 5.4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.028699593908148, 0.0003713700840054725, 2.115738466221403], [2.065462377624805, 4.5803703312271455, 2.1256514163355726], [-0.061853756527142145, -0.03560134840321643, 7.154554307115431]], "pbc": [true, true, true], "a... | 0.145581 | 0.185788 | [
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0.0025624... | 6 | 6 | 0.76152 | 0.092171 | 0.768823 | 0.086542 | mattergen | mattergen_base |
mtgn_1274771_K1Na2V1S4 | K1 Na2 V1 S4 | K2 Na4 V2 S8 | I-42m | 121 | 0.004792 | 2025-11-13 04:21:54 | 1,064 | 2.691049 | 2.689697 | 2.688916 | 0.001351 | 0.000782 | 0.002133 | 0.002133 | -37.612394 | 0.074451 | 0.078559 | 0.077894 | -37.768871 | 0.000395 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.01895588932144, -0.0405743189219677, -2.6109422384393093], [-2.606025543345189, 5.425174020665207, -2.614524069405678], [0.022307547162494, 0.0389347620840683, 6.563586473972475]], "pbc": [true, true, true], "a": 6.56... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.01895588932144, -0.04057431892196766, -2.6109422384393093], [-2.606025543345189, 5.425174020665207, -2.614524069405678], [0.02230754716249403, 0.03893476208406832, 6.563586473972475]], "pbc": [true, true, true], "a": ... | 0.076968 | 0.078559 | [
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mtgn_3606161_K1Hf2Bi1S6 | K1 Hf2 Bi1 S6 | K1 Hf2 Bi1 S6 | P312 | 149 | null | 2025-11-13 06:35:28 | 1,064 | 2.795984 | 2.79695 | 2.324583 | 0.000966 | 0.472367 | 0.471401 | 0.472367 | -62.603152 | 0.020637 | 0.020665 | 0.00927 | -62.578377 | 0.002741 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.584289891664176, 0.0017812557440822, -0.0054859313257997], [-3.2940094257524093, 5.700813240203845, -0.0002386819073339], [-0.001273288995632, 0.0038294682337405, 8.061556829763385]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.584289891664176, 0.0017812557440821876, -0.005485931325799722], [-3.2940094257524093, 5.700813240203845, -0.00023868190733387148], [-0.001273288995631968, 0.003829468233740546, 8.061556829763385]], "pbc": [true, true,... | 0.016858 | 0.020665 | [
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0.0256477... | 6 | 6 | 0.30565 | 0.101997 | 0.305332 | 0.101702 | mattergen | mattergen_base |
mtgn_724011_K1Na1Ta1N1O2 | K1 Na1 Ta1 N1 O2 | K2 Na2 Ta2 N2 O4 | Cm | 8 | null | 2025-11-13 03:53:56 | 1,064 | 2.34972 | 2.041768 | 1.993243 | 0.307952 | 0.048525 | 0.356476 | 0.356476 | -42.763108 | 0.009107 | 0.004139 | 0.00439 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.962022563499765, -0.0019352724660794, -0.7550912090958637], [-0.7176486303019654, 5.148615608798862, -2.800009096739154], [-0.0014282997222276, -0.0915356445013306, 6.176918183010057]], "pbc": [true, true, true], "a":... | null | 0.005879 | 0.009107 | null | [
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mtgn_1322591_K1Cd1Si1Ag1O4 | K1 Cd1 Si1 Ag1 O4 | K2 Cd2 Si2 Ag2 O8 | I-4 | 82 | null | 2025-11-13 08:02:12 | 1,064 | 2.042998 | 2.03862 | 2.034152 | 0.004378 | 0.004468 | 0.008846 | 0.008846 | -43.14687 | 0.015541 | 0.019302 | 0.021778 | -43.493309 | 0.003296 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.849002855405312, 0.002877077873864, -2.868493820995916], [-1.7008691818733306, 4.537611747701943, -2.87319231628498], [-0.0022151141060544, 0.0017008949689757, 5.53015438493801]], "pbc": [true, true, true], "a": 5.633... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.849002855405312, 0.002877077873863985, -2.868493820995916], [-1.7008691818733306, 4.537611747701943, -2.87319231628498], [-0.002215114106054392, 0.0017008949689756804, 5.53015438493801]], "pbc": [true, true, true], "a... | 0.018874 | 0.021778 | [
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-0.0... | 0 | 0 | 0.084591 | 0.008572 | 0.084782 | 0.008213 | mattergen | mattergen_base |
mtgn_3141738_K2In2As2 | K2 In2 As2 | K4 In4 As4 | C2/m | 12 | -0.000014 | 2025-11-13 06:06:41 | 1,064 | 4.307201 | 3.961883 | 3.223653 | 0.345318 | 0.73823 | 1.083548 | 1.083548 | -19.108572 | 0.666245 | 0.459037 | 0.3293 | -19.56151 | 0.009705 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4623707782842015, 0.0010773705218321, -0.0011441575004826], [-2.232843495546069, 5.443985703711891, -0.9868010217701181], [0.0014345777899437, 0.1276165419391601, 8.019901533494329]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4623707782842015, 0.0010773705218320856, -0.0011441575004825532], [-2.232843495546069, 5.443985703711891, -0.9868010217701181], [0.001434577789943709, 0.12761654193916014, 8.019901533494329]], "pbc": [true, true, true... | 0.484861 | 0.666245 | [
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-0.012669... | 1 | 1 | 0.336943 | 0.493011 | 0.335689 | 0.485926 | mattergen | mattergen_base |
mtgn_718893_K1Rb1Sb2O4 | K1 Rb1 Sb2 O4 | K1 Rb1 Sb2 O4 | P1 | 1 | 0.001943 | 2025-11-13 03:21:58 | 1,064 | 1.976165 | 1.99961 | 1.955565 | 0.023445 | 0.044045 | 0.020599 | 0.044045 | -42.190121 | 0.005263 | 0.006451 | 0.006034 | -42.23753 | 0.011042 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.105310068096605, -0.000222006163632, 0.0914980068260287], [-0.0276396961738009, 5.247131562104953, -0.0071391589653906], [0.1173276946775877, -0.0028180711552623, 5.700797653559632]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.105310068096605, -0.0002220061636320487, 0.09149800682602865], [-0.027639696173800885, 5.247131562104953, -0.007139158965390579], [0.11732769467758773, -0.002818071155262304, 5.700797653559632]], "pbc": [true, true, t... | 0.005916 | 0.006451 | [
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mtgn_864276_K2Cu2O2 | K2 Cu2 O2 | K1 Cu1 O1 | P4/mmm | 123 | 0.016199 | 2025-11-13 07:51:53 | 1,064 | 2.351514 | 2.026764 | 2.026493 | 0.324749 | 0.000271 | 0.325021 | 0.325021 | -24.742249 | 0.020391 | 0.008511 | 0.008512 | -25.69721 | 0.000044 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6132652678364066, -0.0009304261708945, 0.0010253468796405], [0.0053253003236551, 5.711038291436797, -0.0031612105838726], [-0.0004474705599208, 0.0007249464074323, 5.708940072981607]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6132652678364066, -0.0009304261708945262, 0.0010253468796404706], [0.0053253003236550505, 5.711038291436797, -0.0031612105838725703], [-0.0004474705599207585, 0.0007249464074322997, 5.708940072981607]], "pbc": [true, ... | 0.012471 | 0.020391 | [
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mtgn_3578182_K2In2Br4 | K2 In2 Br4 | K4 In4 Br8 | I4_1/amd | 141 | 0.000062 | 2025-11-13 06:00:50 | 1,064 | 2.153933 | 2.144905 | 2.083116 | 0.009027 | 0.061789 | 0.070816 | 0.070816 | -23.60659 | 0.011258 | 0.010933 | 0.008617 | -23.976259 | 0.005558 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.099042228398279, 0.0002198228365735, -2.7145201504405714], [-1.2112751957848975, 5.98483054562074, -2.712359442690818], [-0.0031051681175756, -0.0023989716363147, 8.21072397824603]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.099042228398279, 0.00021982283657347634, -2.7145201504405714], [-1.2112751957848975, 5.98483054562074, -2.712359442690818], [-0.003105168117575631, -0.0023989716363147333, 8.21072397824603]], "pbc": [true, true, true]... | 0.010269 | 0.011258 | [
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mtgn_589091_K1Li1Hg1Te2 | K1 Li1 Hg1 Te2 | K1 Li1 Hg1 Te2 | P3m1 | 156 | 0.001979 | 2025-11-13 05:25:50 | 1,064 | 2.704817 | 2.754262 | 2.946232 | 0.049445 | 0.19197 | 0.241415 | 0.241415 | -13.044687 | 1.498678 | 1.488475 | 0.098906 | -13.218058 | 0.003989 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.721328865602815, 0.012643751187137, -0.0048075192853098], [-2.367748380740462, 4.084377339343683, -0.0023583563098001], [0.0085813787273191, 0.0116741407962103, 8.645010226568195]], "pbc": [true, true, true], "a": 4.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.721328865602815, 0.012643751187136997, -0.004807519285309757], [-2.367748380740462, 4.084377339343683, -0.0023583563098001107], [0.008581378727319051, 0.011674140796210274, 8.645010226568195]], "pbc": [true, true, tru... | 1.028686 | 1.498678 | [
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0.036024... | 1 | 1 | 0.482179 | 0.191729 | 0.477824 | 0.189074 | mattergen | mattergen_base finetuned on dn (NOEMD), k_1065 and k_1500 (JARVIS) |
mtgn_681835_K1Cu1Pb2O4 | K1 Cu1 Pb2 O4 | K2 Cu2 Pb4 O8 | Cm | 8 | 0.007693 | 2025-11-13 09:34:39 | 1,064 | 2.217536 | 2.089591 | 2.0878 | 0.127945 | 0.001791 | 0.129735 | 0.129735 | -39.940843 | 0.034114 | 0.029838 | 0.030151 | -40.571991 | 0.007982 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.340225964002392, -2.512194909239904, -4.082956355099096], [-4.255091807466935, 6.909165650537349, 0.9859570584645093], [-1.47441447174456, 2.3868137449415494, 7.178026350207984]], "pbc": [true, true, true], "a": 7.948... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.340225964002392, -2.512194909239904, -4.082956355099096], [-4.255091807466935, 6.909165650537349, 0.9859570584645093], [-1.47441447174456, 2.3868137449415494, 7.178026350207984]], "pbc": [true, true, true], "a": 7.948... | 0.031368 | 0.034114 | [
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-0... | 6 | 6 | 0.29111 | 0.130593 | 0.297431 | 0.131841 | mattergen | mattergen_base |
mtgn_870860_K1Cd1P1O4 | K1 Cd1 P1 O4 | K2 Cd2 P2 O8 | I-4 | 82 | 0.001269 | 2025-11-13 08:06:15 | 1,064 | 1.639483 | 1.636094 | 1.632545 | 0.003389 | 0.003549 | 0.006938 | 0.006938 | -40.971979 | 0.001708 | 0.001711 | 0.001715 | -41.18589 | 0.002609 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.953486586769111, 0.0035830412814928, -2.848427089017193], [-1.6299817502741916, 4.67260504450981, -2.850071862249594], [-0.0360143952769716, -0.0486209044157736, 5.67788648425581]], "pbc": [true, true, true], "a": 5.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.953486586769111, 0.003583041281492827, -2.848427089017193], [-1.6299817502741916, 4.67260504450981, -2.850071862249594], [-0.03601439527697156, -0.04862090441577362, 5.67788648425581]], "pbc": [true, true, true], "a":... | 0.001711 | 0.001715 | [
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mtgn_791664_K1Na2Rh1F6 | K1 Na2 Rh1 F6 | K3 Na6 Rh3 F18 | R3 | 146 | 0.00321 | 2025-11-13 04:33:11 | 1,064 | 1.570225 | 1.569779 | 1.572516 | 0.000446 | 0.002737 | 0.002291 | 0.002737 | -45.192157 | 0.002261 | 0.00223 | 0.002385 | -45.56723 | 0.010982 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.157622469602759, -0.0006069175169977, 2.7304839995306422], [1.8571565229582485, 4.81446306582119, 2.733138453294072], [-0.0246664847087595, -0.0144466118014966, 6.291042179626781]], "pbc": [true, true, true], "a": 5.8... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.157622469602759, -0.0006069175169977111, 2.7304839995306422], [1.8571565229582485, 4.81446306582119, 2.733138453294072], [-0.024666484708759512, -0.014446611801496591, 6.291042179626781]], "pbc": [true, true, true], "... | 0.002292 | 0.002385 | [
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mtgn_1320113_K2Cd2F6 | K2 Cd2 F6 | K2 Cd2 F6 | P4/mbm | 127 | 0.000618 | 2025-11-13 08:12:52 | 1,064 | 1.555475 | 1.550259 | 1.550194 | 0.005216 | 0.000065 | 0.005281 | 0.005281 | -38.854453 | 0.001254 | 0.001226 | 0.001226 | -39.84404 | 0.007881 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.523477387161753, 0.0016029695130734, -0.0047244423071735], [-0.004213796336204, 6.168632275616748, -0.0075106791503089], [0.0034401588567449, 0.0079796024218053, 6.163969799261412]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.523477387161753, 0.0016029695130734412, -0.0047244423071734895], [-0.004213796336204042, 6.168632275616748, -0.007510679150308875], [0.0034401588567448574, 0.007979602421805279, 6.163969799261412]], "pbc": [true, true... | 0.001235 | 0.001254 | [
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mtgn_1378253_K1Rb2Rh1Cl1F5 | K1 Rb2 Rh1 Cl1 F5 | K2 Rb4 Rh2 Cl2 F10 | I4mm | 107 | null | 2025-11-13 02:23:39 | 1,064 | 1.680567 | 1.647363 | 1.622961 | 0.033204 | 0.024402 | 0.057606 | 0.057606 | -43.188214 | 0.002588 | 0.002216 | 0.001941 | -43.628784 | 0.010298 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.018381635777496, 0.053881748409044, -3.2301408839094425], [-3.527749698825168, 5.425062373463741, 0.0008992405709461], [-0.0037156905770875, -0.0028410200959661, 6.471814361388251]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.018381635777496, 0.05388174840904403, -3.2301408839094425], [-3.527749698825168, 5.425062373463741, 0.0008992405709460807], [-0.0037156905770874722, -0.0028410200959661128, 6.471814361388251]], "pbc": [true, true, tru... | 0.002248 | 0.002588 | [
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-0.... | 6 | 6 | 0.107278 | 0.07835 | 0.108898 | 0.079236 | mattergen | mattergen_base |
mtgn_2927409_K1Li1Pb1F6 | K1 Li1 Pb1 F6 | K1 Li1 Pb1 F6 | P312 | 149 | 0.000005 | 2025-11-13 05:14:08 | 1,064 | 1.522861 | 1.561059 | 1.561155 | 0.038199 | 0.000096 | 0.038295 | 0.038295 | -39.375666 | 0.002134 | 0.002466 | 0.002466 | -39.912079 | 0.003545 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.7878631035609125, 0.0067353785356959, -0.0058478385836057], [-0.0099515770494285, 4.834056083455163, -2.7988243748455583], [0.0054424149259633, 0.0069572597204514, 5.584332884430872]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.7878631035609125, 0.0067353785356958915, -0.005847838583605741], [-0.00995157704942846, 4.834056083455163, -2.7988243748455583], [0.005442414925963277, 0.006957259720451416, 5.584332884430872]], "pbc": [true, true, tr... | 0.002356 | 0.002466 | [
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mtgn_3243795_K2Ga2Bi2 | K2 Ga2 Bi2 | K4 Ga4 Bi4 | C2/m | 12 | 0.00027 | 2025-11-13 07:39:42 | 1,064 | 4.725317 | 4.796774 | 3.491569 | 0.071458 | 1.305205 | 1.233748 | 1.305205 | -17.119081 | 1.534183 | 1.521001 | 1.542516 | -17.562103 | 0.023524 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.477078648124997, 0.0073073616064043, 1.453181963324442], [1.9843283408873886, 5.825653038371583, 1.4782772566621214], [-0.0245207813967432, -0.1681864909715216, 7.678624434394066]], "pbc": [true, true, true], "a": 4.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.477078648124997, 0.007307361606404346, 1.453181963324442], [1.9843283408873886, 5.825653038371583, 1.4782772566621214], [-0.02452078139674317, -0.16818649097152155, 7.678624434394066]], "pbc": [true, true, true], "a":... | 1.532567 | 1.542516 | [
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mtgn_760858_K1Hf1In1Cl6 | K1 Hf1 In1 Cl6 | K1 Hf1 In1 Cl6 | P312 | 149 | 0.002794 | 2025-11-13 06:34:42 | 1,064 | 1.848194 | 1.850761 | 1.85087 | 0.002568 | 0.000108 | 0.002676 | 0.002676 | -39.771788 | 0.00441 | 0.004241 | 0.004241 | -39.984123 | 0.011884 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.479233985997795, -0.0011486522006928, 0.0022449009418201], [-0.001867217072638, 6.464030892239491, -3.731870683962812], [0.0003295181076622, 0.0067582739662179, 7.4671572640027]], "pbc": [true, true, true], "a": 6.479... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.479233985997795, -0.0011486522006927597, 0.002244900941820053], [-0.001867217072638021, 6.464030892239491, -3.731870683962812], [0.00032951810766218727, 0.006758273966217907, 7.4671572640027]], "pbc": [true, true, tru... | 0.004297 | 0.00441 | [
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mtgn_606489_K1Na1Sn1Cl6 | K1 Na1 Sn1 Cl6 | K1 Na1 Sn1 Cl6 | P312 | 149 | 0.000684 | 2025-11-13 04:01:09 | 1,064 | 1.724734 | 1.733928 | 1.733986 | 0.009194 | 0.000058 | 0.009252 | 0.009252 | -29.88992 | 0.002725 | 0.002826 | 0.002826 | -30.064968 | 0.003772 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.740403457655792, 1.5427938672e-05, -0.0016094768647646], [-0.00142550147739, 6.0479520666507565, -3.4963196581007048], [0.0009695952510109, 0.0023947390245381, 6.9847357581341285]], "pbc": [true, true, true], "a": 6.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.740403457655792, 1.5427938672028062e-05, -0.0016094768647646417], [-0.0014255014773899596, 6.0479520666507565, -3.4963196581007048], [0.0009695952510109331, 0.002394739024538094, 6.9847357581341285]], "pbc": [true, tr... | 0.002792 | 0.002826 | [
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mtgn_3528596_K1Ge2Pt1 | K1 Ge2 Pt1 | K3 Ge6 Pt3 | R-3m | 166 | -0.000044 | 2025-11-13 07:14:51 | 1,064 | 4.444048 | 4.756363 | 2.801408 | 0.312316 | 1.954955 | 1.64264 | 1.954955 | -17.526436 | 3.756722 | 3.96758 | 1.362529 | -17.818007 | 0.004186 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.038997222192287, 0.0005819694470658, 1.311851706507287], [1.8035655382028415, 3.615559447994931, 1.3122026828981954], [0.0498744181011444, 0.0313761477678937, 6.736010303346904]], "pbc": [true, true, true], "a": 4.246... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.038997222192287, 0.0005819694470658095, 1.311851706507287], [1.8035655382028415, 3.615559447994931, 1.3122026828981954], [0.049874418101144416, 0.03137614776789372, 6.736010303346904]], "pbc": [true, true, true], "a":... | 3.028944 | 3.96758 | [
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0.04629523956... | 6 | 6 | 1.125696 | 0.922821 | 1.133436 | 0.934633 | mattergen | mattergen_base |
mtgn_984044_K2In2S4 | K2 In2 S4 | K2 In2 S4 | P2_1/m | 11 | 0.008042 | 2025-11-13 05:54:36 | 1,064 | 2.572477 | 2.226162 | 2.425477 | 0.346315 | 0.199315 | 0.147 | 0.346315 | -30.773503 | 0.015452 | 0.009905 | 0.011853 | -31.243265 | 0.008053 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7985793776405865, 0.0012037946169078, -0.001008978512907], [-0.0010456625686402, 6.654609614534672, -0.6421320747658908], [0.0012072611398081, -0.0998401658264426, 8.724172151168645]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7985793776405865, 0.0012037946169078057, -0.0010089785129070287], [-0.0010456625686402136, 6.654609614534672, -0.6421320747658908], [0.0012072611398080974, -0.09984016582644258, 8.724172151168645]], "pbc": [true, true... | 0.012403 | 0.015452 | [
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mtgn_3629821_K1Na2Re1O4 | K1 Na2 Re1 O4 | K2 Na4 Re2 O8 | I-42m | 121 | null | 2025-11-13 05:08:38 | 1,064 | 2.225292 | 2.167586 | 2.151022 | 0.057706 | 0.016564 | 0.074271 | 0.074271 | -48.746252 | 0.040332 | 0.033609 | 0.031543 | null | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.031960949397774, 0.1605145814271493, -2.363224430318938], [-3.040733840131929, 4.581609840691369, -0.8241836183210477], [0.1074671103969062, -0.170071321174208, 5.556529591753488]], "pbc": [true, true, true], "a": 5.5... | null | 0.035161 | 0.040332 | null | [
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-0.... | null | 6 | null | null | 1.163498 | 0.604701 | mattergen | mattergen_base |
mtgn_3681266_K1Hg1As1O4 | K1 Hg1 As1 O4 | K2 Hg2 As2 O8 | I-4 | 82 | 0.004999 | 2025-11-13 06:27:02 | 1,064 | 2.040804 | 2.021779 | 2.01866 | 0.019025 | 0.003118 | 0.022144 | 0.022144 | -33.874324 | 0.009016 | 0.009422 | 0.009486 | -34.064251 | 0.001728 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.006111610718555, 0.0298937087636747, -2.3723568502357475], [-3.0259533201289455, 4.5731227237015, -0.791521758292662], [0.0172084307528404, -0.0198491450433652, 5.54062524495829]], "pbc": [true, true, true], "a": 5.53... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.006111610718555, 0.02989370876367473, -2.3723568502357475], [-3.0259533201289455, 4.5731227237015, -0.791521758292662], [0.017208430752840433, -0.019849145043365154, 5.54062524495829]], "pbc": [true, true, true], "a":... | 0.009308 | 0.009486 | [
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-0.... | 6 | 6 | 0.073114 | 0.07247 | 0.073411 | 0.071498 | mattergen | mattergen_base |
mtgn_1359943_K2Na2Au2 | K2 Na2 Au2 | K2 Na2 Au2 | P4/nmm | 129 | -0.000019 | 2025-11-13 04:16:32 | 1,064 | 3.076464 | 3.075114 | 4.112224 | 0.001351 | 1.037111 | 1.03576 | 1.037111 | -12.565723 | 1.563532 | 1.564105 | 4.258437 | -12.931656 | 0.016668 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.766749206634887, 0.0093559761842424, -0.002520467852006], [-0.0067758632096858, 4.767456035166231, -0.0030800168104773], [0.0078683081029842, 0.0045941113448383, 8.666459883768209]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.766749206634887, 0.009355976184242358, -0.0025204678520060007], [-0.0067758632096857705, 4.767456035166231, -0.003080016810477305], [0.007868308102984164, 0.004594111344838287, 8.666459883768209]], "pbc": [true, true,... | 2.462025 | 4.258437 | [
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mtgn_3399842_K1Li1Ir1Cl6 | K1 Li1 Ir1 Cl6 | K1 Li1 Ir1 Cl6 | P312 | 149 | 0.002044 | 2025-11-13 05:20:51 | 1,064 | 1.889641 | 1.888921 | 2.028246 | 0.000721 | 0.139325 | 0.138605 | 0.139325 | -32.588688 | 0.171011 | 0.171235 | 0.154863 | -32.73632 | 0.002092 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.441621588886206, -0.0031528144234267, -0.0012306075665188], [-3.222575634337981, 5.578091275351748, 8.8288404931e-05], [-0.0014293079487616, -0.0020146874758578, 6.960364875118423]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.441621588886206, -0.003152814423426693, -0.0012306075665187767], [-3.222575634337981, 5.578091275351748, 8.828840493100929e-05], [-0.001429307948761573, -0.0020146874758578026, 6.960364875118423]], "pbc": [true, true,... | 0.165703 | 0.171235 | [
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0.00796... | 6 | 6 | 0.216564 | 0.032658 | 0.217882 | 0.032659 | mattergen | mattergen_base |
mtgn_2863106_K2Ga6Sn2 | K2 Ga6 Sn2 | K2 Ga6 Sn2 | P1 | 1 | 0.000317 | 2025-11-13 07:38:25 | 1,064 | 2.47188 | 4.281256 | 2.736999 | 1.809376 | 1.544257 | 0.265119 | 1.809376 | -28.650575 | 5.931213 | 1.029686 | 6.288073 | -29.880619 | 0.022 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.746599616517125, -0.0037888181775267, 0.0049466857208633], [-3.3905987470292835, 5.546902548726806, -0.040604626852341], [0.0130184165271239, -0.0034955540767469, 6.765794986718585]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.746599616517125, -0.003788818177526726, 0.004946685720863273], [-3.3905987470292835, 5.546902548726806, -0.040604626852341036], [0.013018416527123933, -0.003495554076746943, 6.765794986718585]], "pbc": [true, true, tr... | 4.416324 | 6.288073 | [
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-0.009244... | 1 | 1 | 0.874802 | 1.141461 | 0.874235 | 1.153583 | mattergen | mattergen_base |
mtgn_3062986_K1Ge1F5 | K1 Ge1 F5 | K2 Ge2 F10 | Immm | 71 | 0.000281 | 2025-11-13 07:01:07 | 1,064 | 1.410461 | 1.420669 | 1.420458 | 0.010208 | 0.000211 | 0.009997 | 0.010208 | -32.804702 | 0.000638 | 0.000634 | 0.000669 | -33.374073 | 0.002826 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7014988635885135, 0.0018998769071171, 1.2461460180812598], [1.5026886557079646, 5.609753974753263, 1.5850626614092753], [0.0138747571173416, 0.0073216569979006, 6.021244907752825]], "pbc": [true, true, true], "a": 3.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7014988635885135, 0.0018998769071171292, 1.2461460180812598], [1.5026886557079646, 5.609753974753263, 1.5850626614092753], [0.013874757117341582, 0.007321656997900599, 6.021244907752825]], "pbc": [true, true, true], "... | 0.000647 | 0.000669 | [
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mtgn_788732_K2Ga2Sn2Pt4 | K2 Ga2 Sn2 Pt4 | K4 Ga4 Sn4 Pt8 | C2/c | 15 | 0.002551 | 2025-11-13 07:20:46 | 1,064 | 3.506354 | 3.296615 | 4.187724 | 0.209739 | 0.89111 | 0.681371 | 0.89111 | -44.970845 | 3.820251 | 3.042181 | 2.301572 | -45.473961 | 0.014985 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.673350587186368, -0.4880549206089833, -1.3787916653440948], [-3.5819732509255053, 5.6470077687453735, -1.3958515823772688], [-0.4804936902350612, -0.7816481934471484, 7.487233695738513]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.673184241666064, -0.48890725626018916, -1.3777018466152533], [-3.5826497509773247, 5.6464994238577715, -1.3947839053092443], [-0.47949804939614044, -0.7800209442377575, 7.485017401002198]], "pbc": [true, true, true], ... | 3.054668 | 3.820251 | [
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0.0381256... | 6 | 6 | 1.054394 | 1.340783 | 1.051975 | 1.347354 | mattergen | mattergen_base |
mtgn_3524626_K2Pd2Pt2 | K2 Pd2 Pt2 | K4 Pd4 Pt4 | Cmmm | 65 | 0.003371 | 2025-11-13 03:37:35 | 1,064 | 2.214304 | 3.542362 | 2.989 | 1.328058 | 0.553362 | 0.774697 | 1.328058 | -25.590262 | 2.293565 | 2.079502 | 0.625878 | -25.469173 | 0.008422 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.636018194496734, -0.001553672143301, 3.08050923022e-05], [0.0016257866775184, 4.876136021926822, -2.220348686451714], [-0.0010496242228952, -0.0513066556070576, 6.347794760109101]], "pbc": [true, true, true], "a": 4.6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.636018194496734, -0.001553672143301031, 3.080509230224936e-05], [0.0016257866775184469, 4.876136021926822, -2.220348686451714], [-0.0010496242228951803, -0.05130665560705761, 6.347794760109101]], "pbc": [true, true, t... | 1.666315 | 2.293565 | [
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0.0519611457663... | 6 | 6 | 0.922242 | 2.164204 | 0.918108 | 2.150704 | mattergen | mattergen_base |
mtgn_3605471_K1Rb2Br3 | K1 Rb2 Br3 | K1 Rb2 Br3 | P-3m1 | 164 | 0.000044 | 2025-11-13 02:44:38 | 1,064 | 1.658585 | 1.658494 | 1.658796 | 0.00009 | 0.000301 | 0.000211 | 0.000301 | -18.441243 | 0.001899 | 0.001899 | 0.001899 | -18.540062 | 0 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.887965773521318, -0.0008633891677973, -0.0005216751222294], [-2.442480147332118, 4.234108318425936, 0.0002987219558283], [-0.0012076042643774, 0.0017220199396794, 11.94608727462434]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.887965773521318, -0.0008633891677973336, -0.0005216751222293625], [-2.442480147332118, 4.234108318425936, 0.0002987219558282552], [-0.0012076042643774422, 0.0017220199396794258, 11.94608727462434]], "pbc": [true, true... | 0.001899 | 0.001899 | [
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mtgn_3609361_K2Mg2Cl6 | K2 Mg2 Cl6 | K2 Mg2 Cl6 | P4/mbm | 127 | 0.001019 | 2025-11-13 05:02:31 | 1,064 | 1.747141 | 1.744248 | 1.744191 | 0.002893 | 0.000057 | 0.00295 | 0.00295 | -35.120882 | 0.001603 | 0.001605 | 0.001605 | -35.253452 | 0.015938 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.089254513370723, 0.0011716944947151, -0.0063696733026282], [-0.0037149526814897, 7.012171787158107, -0.001156768604712], [0.0043031843991, 0.0012135126610609, 7.012602023301632]], "pbc": [true, true, true], "a": 5.089... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.089254513370723, 0.0011716944947151497, -0.006369673302628203], [-0.003714952681489657, 7.012171787158107, -0.0011567686047120088], [0.0043031843991000445, 0.0012135126610609483, 7.012602023301632]], "pbc": [true, tru... | 0.001604 | 0.001605 | [
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mtgn_1277867_K2Ge2H6 | K2 Ge2 H6 | K2 Ge2 H6 | P2_1/m | 11 | 0.000817 | 2025-11-13 07:00:25 | 1,064 | 2.149311 | 2.113219 | 2.090401 | 0.036092 | 0.022818 | 0.058909 | 0.058909 | -32.563323 | 0.011678 | 0.009701 | 0.008826 | -32.737694 | 0.029195 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.556136350017756, 0.0028590146928938, -1.4921644559860656], [-0.0047688895296786, 5.494138189015996, -0.001205809583436], [-0.0694772899654558, -0.0037835226916701, 6.958106379440376]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.556136350017756, 0.002859014692893785, -1.4921644559860656], [-0.004768889529678639, 5.494138189015996, -0.001205809583435978], [-0.06947728996545575, -0.003783522691670132, 6.958106379440376]], "pbc": [true, true, tr... | 0.010068 | 0.011678 | [
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mtgn_3639333_K2Bi2Pd2 | K2 Bi2 Pd2 | K4 Bi4 Pd4 | C2/m | 12 | 0.002604 | 2025-11-13 09:08:09 | 1,064 | 3.845815 | 3.20479 | 4.05897 | 0.641025 | 0.85418 | 0.213155 | 0.85418 | -22.487162 | 2.597382 | 0.493636 | 2.140358 | -22.436298 | 0.008113 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.5117690883459, -0.0066472139429519, -1.7188409014660502], [-0.3387117017358564, 6.458527540617525, -0.9021589860072858], [-0.0666961756699928, 0.0773019440043648, 6.603979906214215]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.5117690883459, -0.006647213942951889, -1.7188409014660502], [-0.33871170173585635, 6.458527540617525, -0.9021589860072858], [-0.06669617566999275, 0.07730194400436477, 6.603979906214215]], "pbc": [true, true, true], "... | 1.743792 | 2.597382 | [
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mtgn_3241979_K2Cd2Cl6 | K2 Cd2 Cl6 | K2 Cd2 Cl6 | P-1 | 2 | 0.002056 | 2025-11-13 08:31:52 | 1,064 | 1.708305 | 1.700325 | 1.708041 | 0.00798 | 0.007717 | 0.000263 | 0.00798 | -28.991746 | 0.002254 | 0.002176 | 0.002342 | -29.455656 | 0.044303 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.163603254986318, 0.0413192445976685, 2.8051709530853755], [0.3887533514160724, 7.007957343040285, 3.5961262063364274], [0.0304957036414591, 0.0718404144420189, 7.786196725242939]], "pbc": [true, true, true], "a": 6.77... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.163603254986318, 0.0413192445976685, 2.8051709530853755], [0.38875335141607237, 7.007957343040285, 3.5961262063364274], [0.03049570364145905, 0.07184041444201886, 7.786196725242939]], "pbc": [true, true, true], "a": 6... | 0.002257 | 0.002342 | [
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mtgn_3347638_K2Nb2O4F2 | K2 Nb2 O4 F2 | K4 Nb4 O8 F4 | Cmcm | 63 | -0.000231 | 2025-11-13 03:56:11 | 1,064 | 2.226072 | 1.826164 | 1.988637 | 0.399908 | 0.162473 | 0.237435 | 0.399908 | -72.395947 | 0.070685 | 0.023985 | 1.000987 | -71.694427 | 0.011965 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.853976258396873, -0.0007887260206698, -0.8409439257700186], [-0.0009099009355619, 4.2073373364384254, -0.0081035620021725], [-0.0146743174045907, 0.0125131829237895, 9.199332506834939]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.853976258396873, -0.0007887260206698494, -0.8409439257700186], [-0.0009099009355619399, 4.2073373364384254, -0.008103562002172457], [-0.014674317404590652, 0.012513182923789511, 9.199332506834939]], "pbc": [true, true... | 0.365219 | 1.000987 | [
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mtgn_3432219_K1Bi1Pb1S3 | K1 Bi1 Pb1 S3 | K2 Bi2 Pb2 S6 | Cm | 8 | 0.004012 | 2025-11-13 09:09:30 | 1,064 | 3.630529 | 3.49523 | 3.522417 | 0.135299 | 0.027186 | 0.108112 | 0.135299 | -25.013886 | 0.05042 | 0.066605 | 0.060172 | -25.201765 | 0.023201 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.015463744895583, -0.0032279923814522, -1.1494198184768125], [-0.6632175646603362, 5.571995380500782, -2.3307532507965143], [-0.0348155584279749, -0.0474763517761726, 7.46346564797321]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.015463744895583, -0.0032279923814522104, -1.1494198184768125], [-0.6632175646603362, 5.571995380500782, -2.3307532507965143], [-0.03481555842797494, -0.04747635177617263, 7.46346564797321]], "pbc": [true, true, true],... | 0.059065 | 0.066605 | [
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mtgn_3339293_K2Pt2O6 | K2 Pt2 O6 | K2 Pt2 O6 | P6_3/mmc | 194 | 0.003088 | 2025-11-13 03:27:16 | 1,064 | 2.486809 | 2.846011 | 2.831329 | 0.359202 | 0.014682 | 0.34452 | 0.359202 | -52.546225 | 0.02278 | 0.263966 | 0.255198 | -52.424263 | 0.002689 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.50981376373928, -0.0033100692363706, -0.002593595048162], [0.0029209320613189, 5.145153759730153, -2.968779534114019], [0.0028559674842981, 0.0026856222193388, 5.954911549672928]], "pbc": [true, true, true], "a": 5.50... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.50981376373928, -0.0033100692363705855, -0.0025935950481620115], [0.002920932061318915, 5.145153759730153, -2.968779534114019], [0.002855967484298139, 0.002685622219338839, 5.954911549672928]], "pbc": [true, true, tru... | 0.180648 | 0.263966 | [
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mtgn_3588981_K2Pb2Br6 | K2 Pb2 Br6 | K4 Pb4 Br12 | Cmc2_1 | 36 | 0.000567 | 2025-11-13 03:48:45 | 1,064 | 2.086922 | 2.062242 | 2.02446 | 0.02468 | 0.037782 | 0.062463 | 0.062463 | -31.988857 | 0.006732 | 0.006498 | 0.006051 | -32.201263 | 0.015749 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.47770643259261, -0.0015082697932754, -1.0449733250997164], [0.0023473269078471, 8.273409707032444, -0.0080623751460348], [0.0496816320567578, 0.0028463055490426, 10.340239474909406]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.47770643259261, -0.00150826979327545, -1.0449733250997164], [0.002347326907847121, 8.273409707032444, -0.00806237514603482], [0.049681632056757796, 0.0028463055490425566, 10.340239474909406]], "pbc": [true, true, true... | 0.006427 | 0.006732 | [
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mtgn_1282678_K1Ga2Sn1Au1 | K1 Ga2 Sn1 Au1 | K2 Ga4 Sn2 Au2 | Imm2 | 44 | -0.000981 | 2025-11-13 07:45:46 | 1,064 | 2.786029 | 2.972201 | 4.144592 | 0.186172 | 1.172391 | 1.358563 | 1.358563 | -15.1164 | 3.857857 | 4.399248 | 3.228303 | -15.691523 | 0.007748 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.3951165944618396, -0.0007301965978051, -1.6090894335334787], [-0.6301336340106996, 4.4109045633631165, -1.722923233263805], [-0.0876881185548006, -0.0333914672057942, 6.569009614219854]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.3951165944618396, -0.0007301965978050574, -1.6090894335334787], [-0.6301336340106996, 4.4109045633631165, -1.722923233263805], [-0.08768811855480056, -0.03339146720579419, 6.569009614219854]], "pbc": [true, true, true... | 3.828469 | 4.399248 | [
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0.00134742028... | 6 | 6 | 0.594232 | 1.112939 | 0.591501 | 1.113144 | mattergen | mattergen_base |
mtgn_3056887_K1Rb2H6Rh1 | K1 Rb2 H6 Rh1 | K1 Rb2 H6 Rh1 | P-3m1 | 164 | -0.000884 | 2025-11-13 02:32:07 | 1,064 | 1.782674 | 1.782954 | 1.814643 | 0.000281 | 0.031689 | 0.03197 | 0.03197 | -33.441355 | 0.005049 | 0.005076 | 0.005566 | -33.686256 | 0.015648 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.122015011428575, 0.010792673203334, -0.0020968267630868], [-3.076177297960614, 5.293943390187921, 0.0010579966381041], [0.0121900468995177, 0.0151232073109121, 6.709813817228716]], "pbc": [true, true, true], "a": 6.12... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.122015011428575, 0.010792673203334041, -0.002096826763086811], [-3.076177297960614, 5.293943390187921, 0.001057996638104132], [0.012190046899517689, 0.015123207310912138, 6.709813817228716]], "pbc": [true, true, true]... | 0.00523 | 0.005566 | [
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mtgn_671709_K1Ga1Cl4 | K1 Ga1 Cl4 | K2 Ga2 Cl8 | I-42m | 121 | -0.000831 | 2025-11-13 07:31:02 | 1,064 | 1.663912 | 1.661085 | 1.656201 | 0.002827 | 0.004884 | 0.007711 | 0.007711 | -20.298275 | 0.001743 | 0.001746 | 0.001721 | -20.447233 | 0.003685 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.408746404834336, 0.0016810002716029, -3.4291418618741836], [-0.9902819791237681, 5.3190836007104485, -3.4267485326672826], [-0.0046242645759516, 0.0010318617913898, 6.878603339544093]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.408746404834336, 0.0016810002716029, -3.4291418618741836], [-0.9902819791237681, 5.3190836007104485, -3.4267485326672826], [-0.004624264575951579, 0.0010318617913897764, 6.878603339544093]], "pbc": [true, true, true],... | 0.001737 | 0.001746 | [
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mtgn_3049858_K1Ca1H6Ir1 | K1 Ca1 H6 Ir1 | K1 Ca1 H6 Ir1 | P3m1 | 156 | 0.002521 | 2025-11-13 08:32:50 | 1,064 | 1.923958 | 2.055536 | 2.055852 | 0.131578 | 0.000316 | 0.131894 | 0.131894 | -36.30874 | 0.003664 | 0.005205 | 0.005205 | -36.494537 | 0.008947 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.473632274341518, -0.0046703771455514, -0.0002597129541341], [0.0055573966543103, 4.3821996067217555, -2.5283957247235973], [0.0010734884619582, -0.0001526257297993, 5.059787787284165]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.473632274341518, -0.004670377145551444, -0.0002597129541341238], [0.005557396654310335, 4.3821996067217555, -2.5283957247235973], [0.001073488461958164, -0.00015262572979926422, 5.059787787284165]], "pbc": [true, true... | 0.004691 | 0.005205 | [
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mtgn_3457566_K1Hf1Te2 | K1 Hf1 Te2 | K1 Hf1 Te2 | P-3m1 | 164 | 0.013718 | 2025-11-13 06:28:04 | 1,064 | 3.991987 | 3.994042 | 2.829323 | 0.002055 | 1.164719 | 1.162664 | 1.164719 | -20.751932 | 1.444494 | 1.441447 | 0.14272 | -20.828255 | 0.001971 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.078655802484266, -0.0012355831235347, -0.0010566872408404], [-2.0366701060324, 3.5336858724530695, 3.26812635724e-05], [0.0001814603242128, 0.0037948787732754, 8.713401004050905]], "pbc": [true, true, true], "a": 4.07... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.078655802484266, -0.0012355831235347017, -0.0010566872408403931], [-2.0366701060324, 3.5336858724530695, 3.2681263572357124e-05], [0.0001814603242127553, 0.0037948787732753806, 8.713401004050905]], "pbc": [true, true,... | 1.009553 | 1.444494 | [
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0.0536393... | 6 | 6 | 0.735664 | 1.07191 | 0.744769 | 1.081184 | mattergen | mattergen_base |
mtgn_1378872_K2P2H4 | K2 P2 H4 | K4 P4 H8 | C2/c | 15 | 0.000097 | 2025-11-13 03:45:51 | 1,064 | 1.91858 | 1.918241 | 1.967813 | 0.000339 | 0.049572 | 0.049233 | 0.049572 | -28.612055 | 0.006958 | 0.006986 | 0.009427 | -28.774412 | 0.042042 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.876552239976515, 0.0084792076136043, -0.6725613849999441], [-0.3126541022243322, 4.878943826623855, -0.6412087104985932], [0.3758589349062167, 0.4098074851097387, 6.81440617928736]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.876552239976515, 0.008479207613604337, -0.6725613849999441], [-0.3126541022243322, 4.878943826623855, -0.6412087104985932], [0.37585893490621675, 0.40980748510973874, 6.81440617928736]], "pbc": [true, true, true], "a"... | 0.00779 | 0.009427 | [
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0.000826499... | 6 | 6 | 0.28911 | 0.214608 | 0.290448 | 0.212587 | mattergen | mattergen_base |
mtgn_3434964_K2Cu2O4 | K2 Cu2 O4 | K2 Cu2 O4 | Pnnm | 58 | 0.012059 | 2025-11-13 07:50:20 | 1,064 | 3.594094 | 2.440482 | 2.253707 | 1.153612 | 0.186774 | 1.340387 | 1.340387 | -36.758783 | 0.202763 | 0.101742 | 0.102941 | -37.74292 | 0.006601 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8412770739050606, -0.013425412247263, 0.0136929785563637], [0.0338837823765206, 6.491355616624915, 0.0730006015464141], [-0.024117799793669, -0.045573259856527, 6.646143536404563]], "pbc": [true, true, true], "a": 2.8... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8412770739050606, -0.013425412247262979, 0.013692978556363708], [0.03388378237652063, 6.491355616624915, 0.07300060154641413], [-0.024117799793669042, -0.04557325985652704, 6.646143536404563]], "pbc": [true, true, tru... | 0.135816 | 0.202763 | [
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-0.0... | 6 | 6 | 0.419609 | 0.284475 | 0.421919 | 0.290228 | mattergen | mattergen_base |
mtgn_815307_K1Na1Be2F6 | K1 Na1 Be2 F6 | K1 Na1 Be2 F6 | P1 | 1 | 0.001067 | 2025-11-13 04:19:10 | 1,064 | 1.334204 | 1.334166 | 1.335852 | 0.000037 | 0.001685 | 0.001648 | 0.001685 | -51.950919 | 0.000337 | 0.000337 | 0.000337 | -52.340309 | 0.013446 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.242736964908913, -0.0114487593053571, -1.6693995980378402], [-0.6156225677889795, 4.461725524594652, 0.0645133844324175], [-0.0095831398255168, 0.0188848838949559, 6.429937563074872]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.242736964908913, -0.011448759305357097, -1.6693995980378402], [-0.6156225677889795, 4.461725524594652, 0.06451338443241747], [-0.00958313982551682, 0.018884883894955906, 6.429937563074872]], "pbc": [true, true, true],... | 0.000337 | 0.000337 | [
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mtgn_3137447_K1Ca1Bi2Au2 | K1 Ca1 Bi2 Au2 | K1 Ca1 Bi2 Au2 | P-3m1 | 164 | 0.00004 | 2025-11-13 08:58:53 | 1,064 | 5.125874 | 5.124016 | 3.628205 | 0.001858 | 1.495811 | 1.49767 | 1.49767 | -20.239763 | 1.339771 | 1.337213 | 0.461702 | -20.569294 | 0.035003 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.891955308039163, -0.0025215262302161, 0.0010236418408846], [-2.4435613416197346, 4.237681508830128, 0.00147584249462], [-0.0035520397782698, -0.0036665159867427, 9.1305837961354]], "pbc": [true, true, true], "a": 4.89... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.891955308039163, -0.0025215262302160893, 0.0010236418408845903], [-2.4435613416197346, 4.237681508830128, 0.0014758424946200363], [-0.003552039778269805, -0.003666515986742711, 9.1305837961354]], "pbc": [true, true, t... | 1.046229 | 1.339771 | [
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0.0171170... | 6 | 6 | 0.292626 | 2.120017 | 0.333154 | 2.048258 | mattergen | mattergen_base |
mtgn_3668806_K2F4 | K2 F4 | K4 F8 | I4/mmm | 139 | -0.003045 | 2025-11-13 07:47:50 | 1,064 | 1.676415 | 1.705411 | 4.376058 | 0.028996 | 2.670647 | 2.699643 | 2.699643 | -20.788082 | 0.038326 | 0.041574 | 0.268301 | -21.222166 | 0.021988 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.636185114900127, 0.0034344822288921, -0.8240652494928595], [-0.1901234677166251, 3.631022206609502, -0.8248893303415805], [0.0068299596334312, 0.0098303091252898, 8.441461859176947]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.636185114900127, 0.0034344822288920555, -0.8240652494928595], [-0.1901234677166251, 3.631022206609502, -0.8248893303415805], [0.006829959633431232, 0.009830309125289751, 8.441461859176947]], "pbc": [true, true, true],... | 0.116067 | 0.268301 | [
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mtgn_2847267_K2Hg2Cl6 | K2 Hg2 Cl6 | K2 Hg2 Cl6 | P2_1/m | 11 | -0.000307 | 2025-11-13 06:58:06 | 1,064 | 1.823709 | 1.96772 | 1.815934 | 0.144011 | 0.151786 | 0.007775 | 0.151786 | -25.003242 | 0.003921 | 0.004752 | 0.004075 | -25.38357 | 0.048531 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.379449591824665, -0.0008923002378457, 0.0044319166250356], [0.0032426455326007, 8.384864518776574, -2.3097793391414227], [-0.006807256868946, -0.0754529535728545, 8.513848706006463]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.379449591824665, -0.0008923002378456772, 0.0044319166250355565], [0.0032426455326007094, 8.384864518776574, -2.3097793391414227], [-0.006807256868946026, -0.07545295357285449, 8.513848706006463]], "pbc": [true, true, ... | 0.004249 | 0.004752 | [
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mtgn_3301752_K2Be2S4 | K2 Be2 S4 | K4 Be4 S8 | Immm | 71 | 0.008227 | 2025-11-13 09:30:22 | 1,064 | 2.013091 | 1.944072 | 1.941809 | 0.069019 | 0.002263 | 0.071282 | 0.071282 | -33.475937 | 0.005886 | 0.003935 | 0.004841 | -33.75893 | 0.026461 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.4896854692011035, 0.0016679863348727, -2.530929435461352], [-1.2153169409899252, 5.47566715282847, -2.6074897540061994], [0.0154874843765685, -0.036679409252645, 7.234427633142512]], "pbc": [true, true, true], "a": 6.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.4896854692011035, 0.0016679863348727404, -2.530929435461352], [-1.2153169409899252, 5.47566715282847, -2.6074897540061994], [0.01548748437656846, -0.036679409252645026, 7.234427633142512]], "pbc": [true, true, true], ... | 0.004887 | 0.005886 | [
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mtgn_3482483_K2Na4As2 | K2 Na4 As2 | K4 Na8 As4 | Cmcm | 63 | -0.000959 | 2025-11-13 04:43:34 | 1,064 | 3.004833 | 3.641779 | 2.638197 | 0.636946 | 1.003582 | 0.366636 | 1.003582 | -19.734731 | 0.541777 | 0.799472 | 0.543307 | -20.100344 | 0.036251 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.954271426001118, 0.0025360621129772, 0.0002192997998664], [-2.480240522461898, 6.07402238415019, -0.0090714650772866], [-0.0003690514062508, 0.0113781669796243, 8.283814819154442]], "pbc": [true, true, true], "a": 4.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.954271426001118, 0.0025360621129771506, 0.00021929979986644297], [-2.480240522461898, 6.07402238415019, -0.00907146507728656], [-0.0003690514062508134, 0.011378166979624273, 8.283814819154442]], "pbc": [true, true, tr... | 0.628185 | 0.799472 | [
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-0.01457... | 1 | 1 | 0.390341 | 0.883871 | 0.360119 | 0.880083 | mattergen | mattergen_base |
mtgn_3548529_K2Ga2H2 | K2 Ga2 H2 | K4 Ga4 H4 | C2/m | 12 | -0.000139 | 2025-11-13 07:33:27 | 1,064 | 3.333447 | 3.406801 | 2.270553 | 0.073354 | 1.136248 | 1.062894 | 1.136248 | -15.61701 | 0.997781 | 0.993425 | 0.177512 | -16.111572 | 0.011553 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.452809101406898, -0.019175093757284, -0.8736855030258172], [-2.2782906054200303, 3.920651723126925, -0.0438146943614208], [-0.0617757354891359, -0.0071376459813654, 9.88264291373375]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.452809101406898, -0.019175093757284045, -0.8736855030258172], [-2.2782906054200303, 3.920651723126925, -0.0438146943614208], [-0.06177573548913586, -0.007137645981365382, 9.88264291373375]], "pbc": [true, true, true],... | 0.722906 | 0.997781 | [
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mtgn_3290961_K1Ga1Hg2O4 | K1 Ga1 Hg2 O4 | K2 Ga2 Hg4 O8 | I-42m | 121 | null | 2025-11-13 07:45:25 | 1,064 | 2.438386 | 2.377396 | 2.348446 | 0.06099 | 0.02895 | 0.08994 | 0.08994 | -32.151775 | 0.645078 | 0.635149 | 0.631268 | -32.71777 | 0.006218 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.008725956185509, -0.0246857412236256, -2.641274277583656], [-3.174371094439097, 4.670865347710701, -0.3850257571185651], [-0.0106008644691924, 0.0234030248106335, 5.658548508712784]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.008725956185509, -0.02468574122362563, -2.641274277583656], [-3.174371094439097, 4.670865347710701, -0.38502575711856507], [-0.01060086446919241, 0.02340302481063346, 5.658548508712784]], "pbc": [true, true, true], "a... | 0.637165 | 0.645078 | [
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mtgn_3545121_K2Pd2O4 | K2 Pd2 O4 | K2 Pd2 O4 | P2/m | 10 | 0.007268 | 2025-11-13 03:36:21 | 1,064 | 3.606101 | 4.41811 | 3.234704 | 0.812009 | 1.183406 | 0.371397 | 1.183406 | -39.283274 | 0.162988 | 0.564087 | 0.302671 | -39.02552 | 0.009264 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1247028421013794, -0.0096433736161916, -0.0017107148617368], [0.016046002323689, 5.7456809814054255, -3.392209143389576], [0.0006733861668609, -0.0831845769244805, 6.54995188189542]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1247028421013794, -0.009643373616191603, -0.0017107148617367517], [0.01604600232368903, 5.7456809814054255, -3.392209143389576], [0.0006733861668609437, -0.08318457692448052, 6.54995188189542]], "pbc": [true, true, tr... | 0.343249 | 0.564087 | [
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mtgn_1355452_K2H6Pd2 | K2 H6 Pd2 | K2 H6 Pd2 | P6_3/mmc | 194 | 0.001557 | 2025-11-13 06:49:04 | 1,064 | 0.586429 | 0.936802 | 0.993645 | 0.350373 | 0.056843 | 0.407216 | 0.407216 | -34.804277 | 6.233835 | 0.329846 | 0.297541 | -34.966019 | 0.002976 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.200378370563456, 0.0119591678230923, 0.0010749131409398], [-0.0024714488960182, 4.98720705291149, -2.897377665359734], [0.0051651037039371, 0.010520501095875, 5.768217556569603]], "pbc": [true, true, true], "a": 5.200... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.200378370563456, 0.011959167823092287, 0.001074913140939813], [-0.002471448896018236, 4.98720705291149, -2.897377665359734], [0.005165103703937094, 0.01052050109587503, 5.768217556569603]], "pbc": [true, true, true], ... | 2.287074 | 6.233835 | [
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-0.046665... | 6 | 6 | 0.320827 | 0.348929 | 0.318689 | 0.3479 | mattergen | mattergen_base |
mtgn_610475_K1Li1Mg3S4 | K1 Li1 Mg3 S4 | K2 Li2 Mg6 S8 | Cm | 8 | 0.00256 | 2025-11-13 05:17:38 | 1,064 | 2.079597 | 2.089097 | 2.105095 | 0.0095 | 0.015999 | 0.025499 | 0.025499 | -36.338843 | 0.004712 | 0.004978 | 0.005178 | -36.437614 | 0.018064 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9310820463732563, 0.0112667699501142, 1.0534513295250143], [1.938098584190225, 7.116274199502128, 0.5538745493478487], [0.0834752213470713, 0.1145269926153426, 7.533287359542763]], "pbc": [true, true, true], "a": 4.06... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9273502493479127, 0.011333239643290671, 1.0529265414091906], [1.9353696564786034, 7.109479041786143, 0.5574380338266296], [0.07146662609404578, 0.11825830703030805, 7.574017721211706]], "pbc": [true, true, true], "a":... | 0.004956 | 0.005178 | [
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0.02072... | 6 | 6 | 0.018572 | 0.014065 | 0.017855 | 0.011632 | mattergen | mattergen_base finetuned on dn (NOEMD) |
mtgn_1272927_K1Li1Mg2Sb2 | K1 Li1 Mg2 Sb2 | K1 Li1 Mg2 Sb2 | P-3m1 | 164 | 0.008112 | 2025-11-13 05:40:13 | 1,064 | 4.004636 | 4.003764 | 3.42827 | 0.000872 | 0.575493 | 0.576366 | 0.576366 | -17.386191 | 0.111396 | 0.111008 | 0.147436 | -17.467937 | 0.012835 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.894728339432921, -0.0035222056186177, -0.0001684759717124], [-2.4442187849431902, 4.240077607324481, -0.0008530918420198], [-0.0009728221632532, 0.0026285912754686, 8.320604751853322]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.894728339432921, -0.003522205618617706, -0.00016847597171241037], [-2.4442187849431902, 4.240077607324481, -0.0008530918420197894], [-0.0009728221632532209, 0.0026285912754685967, 8.320604751853322]], "pbc": [true, tr... | 0.12328 | 0.147436 | [
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-0.00285... | 1 | 1 | 0.157705 | 0.082451 | 0.160693 | 0.087539 | mattergen | mattergen_base |
mtgn_672591_K1Cd1P1S4 | K1 Cd1 P1 S4 | K2 Cd2 P2 S8 | I222 | 23 | -0.000033 | 2025-11-13 08:06:08 | 1,064 | 2.127236 | 2.250455 | 2.156835 | 0.123219 | 0.09362 | 0.029599 | 0.123219 | -28.270081 | 0.005712 | 0.00691 | 0.006004 | -28.523323 | 0.00402 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.268598767915824, 0.0339552287480655, -1.6051412479496683], [-3.884786821191167, 4.955000993244181, -1.5487834643159861], [0.0622608188624607, -0.0277826043598005, 6.455322917246048]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.268598767915824, 0.03395522874806547, -1.6051412479496683], [-3.884786821191167, 4.955000993244181, -1.5487834643159861], [0.0622608188624607, -0.027782604359800525, 6.455322917246048]], "pbc": [true, true, true], "a"... | 0.006209 | 0.00691 | [
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-0.01... | 6 | 6 | 0.139296 | 0.013866 | 0.138956 | 0.013801 | mattergen | mattergen_base |
mtgn_611729_K1Rb5Te2O1 | K1 Rb5 Te2 O1 | K1 Rb5 Te2 O1 | P4/mmm | 123 | 0.003671 | 2025-11-13 02:08:22 | 1,064 | 2.210314 | 2.572051 | 2.571798 | 0.361737 | 0.000253 | 0.361484 | 0.361737 | -25.461105 | 0.089376 | 0.364067 | 0.363928 | -25.929197 | 0.007123 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.725112898591339, -0.0007472235212139, 0.0041997975127223], [0.0008358208861297, 7.768774037390005, -0.0003835464363987], [-0.0059796115245943, -0.0016579332494729, 7.769843687416367]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.785324221366828, -0.0007377513504667534, 0.0042993264756519415], [0.0008612067645957661, 7.7981244258636355, -0.0002718406385185003], [-0.005928818815139566, -0.0015510600646297362, 7.799024694895947]], "pbc": [true, ... | 0.272457 | 0.364067 | [
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-0.058... | 6 | 6 | 0.089439 | 0.228748 | 0.038512 | 0.218049 | mattergen | mattergen_base finetuned on dn (NOEMD) |
mtgn_3636890_K2Bi2O6 | K2 Bi2 O6 | K4 Bi4 O12 | Cmcm | 63 | 0.004837 | 2025-11-13 09:14:39 | 1,064 | 2.436768 | 2.557817 | 2.68952 | 0.121049 | 0.131703 | 0.252752 | 0.252752 | -50.874804 | 0.177592 | 0.176713 | 0.511876 | -51.054073 | 0.003495 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2846209741461427, -0.0010410621534006, 0.001118344265112], [-1.6420421064687074, 6.127678480475253, -0.0007722901630772], [-0.001660947474194, 0.0031244013032318, 8.008727738347384]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2846209741461427, -0.0010410621534005873, 0.0011183442651120114], [-1.6420421064687074, 6.127678480475253, -0.0007722901630771592], [-0.0016609474741939754, 0.003124401303231795, 8.008727738347384]], "pbc": [true, tru... | 0.288727 | 0.511876 | [
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mtgn_758289_K2H4N2 | K2 H4 N2 | K2 H4 N2 | Cm | 8 | 0.001026 | 2025-11-13 06:53:50 | 1,064 | 1.714425 | 1.608174 | 1.585155 | 0.106251 | 0.023019 | 0.12927 | 0.12927 | -35.005196 | 0.012336 | 0.004726 | 0.004037 | -35.126236 | 0.006036 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.16277041710296, 0.0225592227388879, -1.7049557432758138], [-1.1302943851841676, 4.456375561355341, -0.4327059097774769], [-0.0445544511371159, 0.0595079182461183, 7.275826242846549]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.16277041710296, 0.022559222738887892, -1.7049557432758138], [-1.1302943851841676, 4.456375561355341, -0.43270590977747686], [-0.04455445113711587, 0.0595079182461183, 7.275826242846549]], "pbc": [true, true, true], "a... | 0.007033 | 0.012336 | [
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-0.02... | 6 | 6 | 0.238579 | 0.138894 | 0.238071 | 0.138753 | mattergen | mattergen_base |
mtgn_722507_K1Br1O3 | K1 Br1 O3 | K3 Br3 O9 | R3m | 160 | 0.016167 | 2025-11-13 08:46:02 | 1,064 | 1.859627 | 1.877235 | 1.835541 | 0.017609 | 0.041694 | 0.024086 | 0.041694 | -20.688143 | 0.00328 | 0.003409 | 0.003133 | -20.762077 | 0.000613 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.525397513771247, 0.0193526893309652, 0.5162828199499796], [0.4606928128108601, 4.5099097971901445, 0.5202099312658254], [0.0207191493351667, 0.0154376814976575, 4.560338297338064]], "pbc": [true, true, true], "a": 4.5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.525397513771247, 0.019352689330965206, 0.5162828199499796], [0.46069281281086005, 4.5099097971901445, 0.5202099312658254], [0.020719149335166713, 0.015437681497657466, 4.560338297338064]], "pbc": [true, true, true], "... | 0.003274 | 0.003409 | [
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mtgn_1303578_K1In1Si1F6 | K1 In1 Si1 F6 | K1 In1 Si1 F6 | P3m1 | 156 | 0.001529 | 2025-11-13 06:00:13 | 1,064 | 1.611802 | 1.634137 | 1.634229 | 0.022336 | 0.000092 | 0.022427 | 0.022427 | -45.358516 | 0.002203 | 0.002234 | 0.002233 | -46.040359 | 0.007378 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.918170459857808, -0.0004862018292574, -0.0009952555548286], [0.0019612945466468, 4.96989678672729, 2.84705877167148], [0.0003915300960418, 0.0026988566821346, 5.7296626565486894]], "pbc": [true, true, true], "a": 4.91... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.918170459857808, -0.00048620182925743417, -0.0009952555548286028], [0.0019612945466467675, 4.96989678672729, 2.84705877167148], [0.00039153009604175833, 0.0026988566821345957, 5.7296626565486894]], "pbc": [true, true,... | 0.002223 | 0.002234 | [
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mtgn_1386300_K1Rb2Zn1F5 | K1 Rb2 Zn1 F5 | K2 Rb4 Zn2 F10 | Imm2 | 44 | 0.002201 | 2025-11-13 02:16:04 | 1,064 | 1.502831 | 1.496262 | 1.501832 | 0.006569 | 0.00557 | 0.000998 | 0.006569 | -36.478955 | 0.000765 | 0.000735 | 0.000732 | -37.165936 | 0.005749 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.018752543759142, -0.0009128691937245, -1.18433135502286], [-0.7936028519282033, 5.653432190639589, -2.692241523292084], [-0.0035304800118368, -0.00164835513362, 7.398118287347031]], "pbc": [true, true, true], "a": 4.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.018752543759142, -0.0009128691937244524, -1.18433135502286], [-0.7936028519282033, 5.653432190639589, -2.692241523292084], [-0.00353048001183681, -0.0016483551336199567, 7.398118287347031]], "pbc": [true, true, true],... | 0.000744 | 0.000765 | [
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... | 8 | 8 | 0.023404 | -0.01012 | 0.023897 | -0.009813 | mattergen | mattergen_base |
mtgn_3290237_K1Na2Sc1F6 | K1 Na2 Sc1 F6 | K3 Na6 Sc3 F18 | R-3 | 148 | 0.003085 | 2025-11-13 04:27:48 | 1,064 | 1.41993 | 1.418591 | 1.425903 | 0.001339 | 0.007312 | 0.005974 | 0.007312 | -53.620436 | 0.000739 | 0.000705 | 0.000736 | -54.035362 | 0.024302 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.281501327211044, -0.0026205242960577, 3.1869365982254436], [1.8021661458964808, 4.963536735286943, 3.1917919383416846], [-0.0015646368548695, -0.0025056800558886, 6.166765004586405]], "pbc": [true, true, true], "a": 6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.281501327211044, -0.0026205242960577442, 3.1869365982254436], [1.8021661458964808, 4.963536735286943, 3.1917919383416846], [-0.0015646368548694546, -0.0025056800558886424, 6.166765004586405]], "pbc": [true, true, true... | 0.000727 | 0.000739 | [
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-0.049909856863298026,
0.011190964161128879,
0.026245802141875274,
0.13437448060465992,
-... | 0 | 0 | 0.242251 | -0.089139 | 0.240538 | -0.085695 | mattergen | mattergen_base |
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