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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mtgn_3276408_Gd2Ga2Se1 | Gd2 Ga2 Se1 | Gd6 Ga6 Se3 | R-3m | 166 | -0.004872 | 2026-02-10 03:49:24 | 1,064 | 4.630727 | 4.452748 | 4.113423 | 0.177979 | 0.339324 | 0.517304 | 0.517304 | -43.276804 | 2.729053 | 2.840134 | 2.786961 | -43.519985 | 0.008891 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.028258284152225, -0.0029348026599079, 1.07678682861287], [1.869726524015368, 3.568246787114528, 1.0764636762636441], [0.0583122576767512, 0.0374155878286123, 7.841568622131882]], "pbc": [true, true, true], "a": 4.1696... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.047940132259229, -0.0014190562398577133, 1.0835871740896914], [1.8803009455459225, 3.5851423943696665, 1.0829473097685673], [0.03231246000465123, 0.02103667630982099, 7.989474306509152]], "pbc": [true, true, true], "a... | 2.785383 | 2.840134 | [
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0.0171849... | [
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0.021249476... | 6 | 6 | 0.206877 | 1.239167 | 0.274482 | 1.366084 | mattergen | mattergen_base |
mtgn_3181532_Mg1Mn1Pd2 | Mg1 Mn1 Pd2 | Mg1 Mn1 Pd2 | P4/mmm | 123 | -0.000025 | 2026-02-10 09:25:26 | 1,064 | 4.596117 | 4.596244 | 1.622578 | 0.000127 | 2.973666 | 2.973539 | 2.973666 | -22.780269 | 0.803113 | 0.802906 | 4.47316 | -22.983078 | 0.004069 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.010378002934365, -0.001327319672235, 0.0065061047678653], [0.0019834700351615, 3.010262130004201, -0.002318707434825], [-0.0137616764502478, 0.0050267505600382, 6.640026831996169]], "pbc": [true, true, true], "a": 3.0... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.157248476386076, -0.001549117184850047, 0.0069076696676080365], [0.0019232303809939265, 3.1572567916224705, -0.002449957602494882], [-0.012896486148602804, 0.004673080299342646, 6.305460763159602]], "pbc": [true, true... | 2.026393 | 4.47316 | [
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-0.01113... | 6 | 6 | 0.552874 | 0.693028 | 0.544756 | 0.661633 | mattergen | mattergen_base |
mtgn_1040776_Nb3Se2 | Nb3 Se2 | Nb6 Se4 | I4/mmm | 139 | -0.000042 | 2026-02-10 06:57:59 | 1,064 | 4.494231 | 4.472594 | 4.998878 | 0.021637 | 0.526284 | 0.504647 | 0.526284 | -40.639998 | 3.490475 | 3.505024 | 2.031006 | -40.443001 | 0.031039 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.323533743692202, 3.77686155661e-05, -0.6396864931739575], [-0.1211270249723569, 3.3223147089182494, -0.6351275632181387], [-0.0486553430537205, -0.0642276245439578, 8.628971860999563]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3515513063668236, -0.0010896770169910176, -0.6479214054114372], [-0.12331338679590273, 3.3498799771470433, -0.6434993442448677], [0.03581677293340919, 0.022101878758502363, 9.180597135768965]], "pbc": [true, true, tru... | 3.008835 | 3.505024 | [
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0.06334798626... | 6 | 6 | 0.64801 | 2.45398 | 0.680031 | 2.566281 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_1063540_Ta1Mo4 | Ta1 Mo4 | Ta2 Mo8 | I4/mmm | 139 | -0.000007 | 2026-02-10 00:21:29 | 1,064 | 5.856252 | 5.831868 | 5.387201 | 0.024384 | 0.444667 | 0.46905 | 0.46905 | -56.16141 | 3.809775 | 3.807425 | 3.488286 | -55.773594 | 0.001112 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.080555667406934, 0.00168557135311, -0.6005761795767175], [-0.1157649168423498, 3.078303682148672, -0.6009682606889759], [-0.0055237624791743, -0.0046046014768868, 8.217881549506119]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1337659966084286, 0.0005101720616021089, -0.6091872053958507], [-0.11897190945493148, 3.1313967660379767, -0.6096043184904352], [-0.010203812733181506, -0.00950176308489524, 8.312066091569072]], "pbc": [true, true, tr... | 3.701829 | 3.809775 | [
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0.3904499398... | 6 | 6 | 0.921414 | 3.194578 | 0.962978 | 3.290283 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_6133462_ | Al1 Ni2 Pt1 | Al1 Ni2 Pt1 | P4/mmm | 123 | -0.000001 | 2026-02-10 04:02:26 | 1,064 | 5.20455 | 5.669912 | 5.208431 | 0.465361 | 0.46148 | 0.003881 | 0.465361 | -23.039002 | 4.5121 | 3.397513 | 4.50964 | -23.616404 | 0.000249 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.624681921468046, 0.0001921001534676, -0.0001634715147804], [-0.000296290789842, 3.7054090131087323, 1.1082608386e-06], [0.0001987368551382, 1.20476396016e-05, 3.6253252287276725]], "pbc": [true, true, true], "a": 3.62... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.666623997284017, 0.0003009881321784383, -0.00015551741614236515], [-0.00019145416752618734, 3.760056074361776, -4.0335793337993205e-06], [0.00021087955560513986, 7.111284489949586e-06, 3.6672028723582635]], "pbc": [tr... | 4.139751 | 4.5121 | [
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0.08146596... | 6 | 6 | 1.25207 | 1.007029 | 1.244198 | 0.910338 | mattergen | mattergen_base |
mtgn_4176726_LiMnGaIr | Li1 Mn1 Ga1 Ir1 | Li4 Mn4 Ga4 Ir4 | F-43m | 216 | -0.000003 | 2026-02-09 22:18:32 | 1,064 | 5.292941 | 5.29313 | 5.292733 | 0.000188 | 0.000396 | 0.000208 | 0.000396 | -24.007122 | 1.742018 | 1.742504 | 1.742276 | -24.421635 | 0.000089 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.635356817875842, -0.0011361665796609, 2.1010142154704594], [1.2136392468341108, 3.4277730526216743, 2.0976705669702325], [-0.0014232579712793, 0.0009323716233082, 4.197952887303132]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.684180324090356, -0.0012290934259855564, 2.1290888301238144], [1.2301508616533325, 3.473209804091851, 2.12520631306537], [-0.001076829972159666, 0.0005971739343890877, 4.253414992233763]], "pbc": [true, true, true], "... | 1.742266 | 1.742504 | [
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-0.052193... | 6 | 6 | 1.606437 | 0.911804 | 1.579693 | 0.862945 | mattergen | mattergen_base |
mtgn_4201798_AlNiPt2 | Al1 Ni1 Pt2 | Al1 Ni1 Pt2 | P4/mmm | 123 | -0.000003 | 2026-02-09 22:59:36 | 1,064 | 6.178783 | 5.385528 | 5.385478 | 0.793254 | 0.00005 | 0.793305 | 0.793305 | -24.04536 | 2.404487 | 2.127702 | 2.12788 | -24.320868 | 0.000216 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.583336564601219, -0.0003242453168901, 0.0009686423354938], [0.000329915488378, 3.857531439892359, 0.0004760217299213], [-0.0010142594396347, -0.0003191494765762, 3.8574628998976954]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.61253404500656, -0.00033075589159655355, 0.0009220356330673317], [0.0003314723542484996, 3.916628606866606, 0.00038042619992542144], [-0.0010887850570627394, -0.0004269308788043559, 3.916622403542767]], "pbc": [true, ... | 2.220023 | 2.404487 | [
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0.102378784... | 6 | 6 | 1.899381 | 2.335355 | 1.865979 | 2.198456 | mattergen | mattergen_base |
mtgn_6134602_ | Li1 Mg2 In1 | Li4 Mg8 In4 | Fmmm | 69 | -0.000097 | 2026-02-09 22:30:12 | 1,064 | 5.944895 | 5.696661 | 4.642652 | 0.248234 | 1.05401 | 1.302243 | 1.302243 | -8.011574 | 2.701477 | 3.04208 | 4.378963 | -8.427342 | 0.001534 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.137804698970533, 0.1192373080058875, -2.041366328117704], [-0.8761321518190615, 4.024491068034661, -2.0677642765076216], [-0.100306432362615, -0.18739694256714, 5.204244584352708]], "pbc": [true, true, true], "a": 4.6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0528816492258235, 0.013684514595047072, -1.9482158146931288], [-0.943601570568031, 3.9443324349445064, -1.94259082097312], [0.05158422785665679, 0.04709320605849771, 5.2793063949715195]], "pbc": [true, true, true], "a... | 3.374173 | 4.378963 | [
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-0.0309760... | 6 | 6 | 0.246721 | 0.626405 | 0.248948 | 0.595046 | mattergen | mattergen_base |
mtgn_6078554_ | Mn1 Zn1 Pd1 Pt1 | Mn2 Zn2 Pd2 Pt2 | I-4m2 | 119 | -0.001231 | 2026-02-10 04:42:41 | 1,064 | 5.547535 | 5.399476 | 4.879319 | 0.148059 | 0.520157 | 0.668216 | 0.668216 | -23.175158 | 2.760118 | 2.637052 | 2.109966 | -23.475922 | 0.000225 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.588545275293766, 0.002151431709754, -1.782820908269686], [-0.8898537488202197, 3.478795834886547, -1.7777791251462172], [0.0142426314612193, 0.012560053858165, 4.516947077232381]], "pbc": [true, true, true], "a": 4.00... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6817183350430946, 0.0034495235699925067, -1.833328039169551], [-0.9126397503149021, 3.5709185982626277, -1.8299246031308916], [-0.030477082386584534, -0.047362553160679326, 4.554153311055515]], "pbc": [true, true, tru... | 2.502379 | 2.760118 | [
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0.044998736... | 6 | 6 | 1.261694 | 1.251852 | 1.345189 | 1.230841 | mattergen | mattergen_base |
mtgn_2940917_Y1Fe2P2 | Y1 Fe2 P2 | Y2 Fe4 P4 | I4/mmm | 139 | -0.000002 | 2026-02-10 08:04:23 | 1,064 | 3.750848 | 3.751766 | 3.343256 | 0.000918 | 0.40851 | 0.407591 | 0.40851 | -38.76897 | 2.591961 | 2.557196 | 2.139127 | -39.225861 | 0.004598 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.551882571216097, 0.001449682441662, -1.3300948341278993], [-0.4981188786849735, 3.516051322664621, -1.331514092497578], [-0.0069069359856039, -0.0055174651626928, 5.388956426172542]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.583668203894925, 0.0004986665295132436, -1.3419554706106505], [-0.5035216155011499, 3.5472189747332026, -1.3433633161628162], [0.004384544299379195, 0.007569451730001285, 5.467364624989708]], "pbc": [true, true, true]... | 2.429428 | 2.591961 | [
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0.2231150294971... | 6 | 6 | 0.225803 | 1.411514 | 0.234444 | 1.498871 | mattergen | mattergen_base |
mtgn_1396145_Y1Si2Os2 | Y1 Si2 Os2 | Y2 Si4 Os4 | I4/mmm | 139 | -0.000004 | 2026-02-10 03:36:03 | 1,064 | 3.553652 | 3.629777 | 3.733069 | 0.076125 | 0.103292 | 0.179418 | 0.179418 | -43.355549 | 2.576983 | 2.704216 | 3.206557 | -43.377243 | 0.006468 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.845830807872649, -0.0009375002890163, -1.5156413366807817], [-0.5953639018167488, 3.7995325664688977, -1.5153164411960383], [-0.0046649602228806, -0.0056548175318384, 5.633602789915321]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8895079983839187, -0.0008971927678948033, -1.5314000778516446], [-0.6020555260947431, 3.8423235470512638, -1.5310219908163731], [-0.014911245021236147, -0.017553413751713397, 5.66632869132709]], "pbc": [true, true, tr... | 2.829252 | 3.206557 | [
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-0.0066965445... | 6 | 6 | 0.19073 | 0.61445 | 0.197643 | 0.579776 | mattergen | mattergen_base |
mtgn_6167437_ | Li1 Mn1 Pd2 | Li1 Mn1 Pd2 | P4/mmm | 123 | -0.000018 | 2026-02-10 10:15:36 | 1,064 | 4.612736 | 3.755391 | 3.75486 | 0.857345 | 0.000531 | 0.857876 | 0.857876 | -22.694164 | 1.273864 | 2.223817 | 2.223931 | -22.883053 | 0.000175 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.13120775605143, 0.0010816146014127, 0.0031723104470965], [-0.0011689300833898, 4.17598068017764, 0.0041682614897939], [-0.0037729962996414, -0.0039980273955195, 4.176385540676681]], "pbc": [true, true, true], "a": 3.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1423902927000325, 0.0010526443451171874, 0.002784345552621104], [-0.0012423341397722288, 4.300306884939957, 0.004175984847881378], [-0.004430257472349677, -0.004233125689507273, 4.300194643961713]], "pbc": [true, true... | 1.907204 | 2.223931 | [
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-0.... | 6 | 6 | 0.637128 | 1.302813 | 0.581771 | 1.324576 | mattergen | mattergen_base |
mtgn_4137773_Mn3ZnN | Mn3 Zn1 N1 | Mn3 Zn1 N1 | Pm-3m | 221 | -0 | 2026-02-10 10:37:15 | 1,064 | 6.545831 | 6.544422 | 6.544406 | 0.001409 | 0.000016 | 0.001425 | 0.001425 | -37.328728 | 3.343067 | 3.34481 | 3.344734 | -38.043495 | 0.000315 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.755253777071465, 4.56393016956e-05, -0.0006012901652262], [-8.54182734484e-05, 3.7550362065993004, 0.0004185869205465], [0.0005177386843678, -0.0003963828523775, 3.755042799967636]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8157437769831066, 2.6591265350751927e-05, -0.0009073460298970806], [-0.00010656548963350912, 3.814843832235401, 0.0006589344450472576], [0.00022963063986822214, -0.00016901798379319045, 3.814865890755358]], "pbc": [tr... | 3.344204 | 3.34481 | [
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0.04411562170... | 6 | 6 | 0.939276 | 1.093665 | 0.978115 | 1.064175 | mattergen | mattergen_base |
mtgn_994283_Na1Ti1S2 | Na1 Ti1 S2 | Na3 Ti3 S6 | R-3m | 166 | -0.000005 | 2026-02-10 10:32:27 | 1,064 | 2.155848 | 2.140136 | 2.600578 | 0.015712 | 0.460442 | 0.44473 | 0.460442 | -22.708543 | 0.885823 | 0.923679 | 0.171193 | -22.857748 | 0.010494 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4016802094467247, -0.0042230394221517, 0.9029922232603486], [1.5850895182224398, 3.010509609377086, 0.9014466612899124], [0.0016164145619495, 0.0051284918094238, 6.8530536123937456]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.447861802348642, -0.0053614184525393755, 0.9162217187627332], [1.6056055353427856, 3.052855083113436, 0.914836407027039], [-0.014146442377377992, -0.00386401259353886, 7.012895833416981]], "pbc": [true, true, true], "... | 0.660232 | 0.923679 | [
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0.02272... | 6 | 6 | 0.309542 | 0.305271 | 0.315084 | 0.348437 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_6061400_ | Pr1 Ta1 Al1 Ir2 | Pr2 Ta2 Al2 Ir4 | I-4m2 | 119 | -0.000005 | 2026-02-10 05:41:30 | 1,064 | 4.277174 | 4.359702 | 4.146243 | 0.082527 | 0.213459 | 0.130931 | 0.213459 | -43.587367 | 3.456967 | 3.483805 | 3.598101 | -41.933105 | 0.01137 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.889756562758191, -0.0008930801486663, -1.3616198626297031], [-0.4734420565465554, 3.8397382269050553, -1.352491281598147], [0.0311983425015776, 0.0451207758588671, 6.329228464722587]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.101615276978795, -0.0002651445658293819, -1.4351782625116607], [-0.5013570787264487, 4.070900741173395, -1.4336154075799141], [-0.1479786520612711, -0.16972219294317564, 6.154036116970632]], "pbc": [true, true, true],... | 3.512958 | 3.598101 | [
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0.09809399... | 6 | 6 | 0.513654 | 1.059906 | 0.426633 | 1.12304 | mattergen | mattergen_base |
mtgn_6196630_ | Lu2 Ru1 Pb1 | Lu2 Ru1 Pb1 | P4/mmm | 123 | -0.000038 | 2026-02-10 01:58:27 | 1,064 | 3.030089 | 3.032825 | 4.665489 | 0.002736 | 1.632664 | 1.6354 | 1.6354 | -23.626302 | 4.155736 | 4.152316 | 0.981269 | -24.085289 | 0.006022 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3109749431187483, -0.0006987982286727, 0.0009657717097572], [0.0007119001318001, 3.3104263554621802, 0.0003522673906874], [-0.0016573520780714, -0.00030419929069, 8.210693470190018]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.376006908858026, -0.0005290154815090883, 0.0012331301673979384], [0.0009094651254748717, 3.375821296545892, 0.0003514307085098321], [-0.0010300077418347363, -0.00031538211924535535, 8.22831631464219]], "pbc": [true, t... | 3.09644 | 4.155736 | [
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-0.090203013... | 6 | 6 | 0.636222 | 2.332099 | 0.53304 | 2.188966 | mattergen | mattergen_base |
mtgn_6186558_ | Mg1 Sc1 Pt2 | Mg1 Sc1 Pt2 | P4/mmm | 123 | -0.000003 | 2026-02-09 22:51:39 | 1,064 | 4.160937 | 4.161786 | 4.844106 | 0.000849 | 0.68232 | 0.683169 | 0.683169 | -24.119726 | 0.582837 | 0.582634 | 7.289229 | -24.338417 | 0.000488 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.344968472310036, -0.0033991839098845, 0.0073075559254199], [0.0034372402439524, 3.3443559600485306, 0.0094606806444583], [-0.0127882109188048, -0.0164807940417247, 5.803339870134828]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.35730163182994, -0.003234805603688396, 0.007165113915074444], [0.0036248062809261946, 3.354683675755969, 0.009240180444192043], [-0.013596943066621327, -0.01757774256952137, 6.040535680793935]], "pbc": [true, true, tr... | 2.818234 | 7.289229 | [
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0.03396... | 6 | 6 | 2.003484 | 2.931712 | 1.847427 | 2.83039 | mattergen | mattergen_base |
cd-251023-c53188255c7b41c1a2e46b8f8754364b | K1 Ta1 O3 | K1 Ta1 O3 | Pm-3m | 221 | -0.000003 | 2026-02-10 05:54:54 | 1,064 | 2.433066 | 2.429405 | 2.417622 | 0.003662 | 0.011783 | 0.015444 | 0.015444 | -41.059976 | 0.010563 | 0.010373 | 0.009803 | -41.11647 | 0.003035 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.011636745824057, 2.68793655597e-05, 0.0005931626858939], [-0.0003358422162917, 4.014323505166094, -0.0014997372254901], [-3.55940695637e-05, 0.0005025403236987, 4.0206310619000885]], "pbc": [true, true, true], "a": 4.... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.0295811203599206,0.0,0.0006325009530094775],[-0.0003642895853533819,4.031750071278411,-0.0020124624134254133],[0.0,0.0,4.04553099]],"pbc":[true,true,true],"a":4.02958117,"b":4.031750589999999,"c":4.04553099,"alpha":90.0285993... | 0.010246 | 0.010563 | [
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-0.02640... | 0 | 0 | 0.198676 | 0.009583 | 0.199195 | 0.005143 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064-v3 |
mtgn_6117318_ | La1 Mn1 Fe1 C2 | La2 Mn2 Fe2 C4 | I-4m2 | 119 | -0.000019 | 2026-02-10 05:24:30 | 1,064 | 4.393366 | 4.379118 | 4.612039 | 0.014248 | 0.232921 | 0.218673 | 0.232921 | -41.53659 | 3.277601 | 3.287442 | 3.80773 | -42.071129 | 0.020567 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.271339663363964, -0.0017681355449398, -1.0492015225377866], [-0.3357433454322786, 3.2544335132080295, -1.0482575721138654], [0.050628905817844, 0.0548517671053535, 5.783470605089108]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3293508347293437, -0.0005329488445222764, -1.0668554854751138], [-0.34071659506613655, 3.3121078398387116, -1.0667663534315155], [0.0011414166766596497, -0.0015155016231162873, 5.723929211694365]], "pbc": [true, true,... | 3.457591 | 3.80773 | [
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0.16382978... | 6 | 6 | 0.890854 | 1.662429 | 0.893107 | 1.729337 | mattergen | mattergen_base |
mtgn_3475786_Nb3Te2 | Nb3 Te2 | Nb6 Te4 | I4/mmm | 139 | -0.000017 | 2026-02-10 10:21:26 | 1,064 | 5.067019 | 5.037793 | 5.013381 | 0.029226 | 0.024412 | 0.053638 | 0.053638 | -38.572282 | 2.603917 | 2.62089 | 1.471322 | -38.482113 | 0.021467 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4245044239480227, 0.0031695816967341, -0.6265509745220099], [-0.114879616441203, 3.4234793565717943, -0.6240871021174391], [-0.0629602450024143, -0.0673570156896979, 9.32979653596061]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.45929073685114, 0.00156784008774217, -0.6350257207947682], [-0.11767127535240526, 3.4577501203731233, -0.6324853463605804], [-0.008571613867228113, -0.011370514139422382, 9.756838517200412]], "pbc": [true, true, true]... | 2.232043 | 2.62089 | [
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0.04550049602... | 6 | 6 | 0.714331 | 2.11724 | 0.729137 | 2.084785 | mattergen | mattergen_base |
mtgn_670378_La1Pr1Te1P1 | La1 Pr1 Te1 P1 | La3 Pr3 Te3 P3 | R3m | 160 | -0.000019 | 2026-02-09 18:26:47 | 1,064 | 2.291804 | 2.29 | 2.521978 | 0.001804 | 0.231978 | 0.230174 | 0.231978 | -26.38605 | 1.897937 | 1.912773 | 1.132861 | -24.72081 | 0.009353 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.105432947728762, -0.0055077305751647, 1.195387278326992], [1.8823886556468747, 3.647930111539248, 1.1959305846829607], [-0.0118908916402066, -0.0087164911638152, 7.701956861699935]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.145670806943711, -0.005565389498353393, 1.207572995222496], [1.9008511505361718, 3.6837319073994643, 1.208065933073349], [-0.038955052594244505, -0.025328355059413894, 7.872937427359691]], "pbc": [true, true, true], "... | 1.647857 | 1.912773 | [
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0.0847916... | 6 | 6 | 0.268201 | 0.800037 | 0.330536 | 0.953891 | mattergen | mattergen_base |
mtgn_6021418_ | Pr1 Mn1 Fe1 C2 | Pr2 Mn2 Fe2 C4 | I-4m2 | 119 | -0.000019 | 2026-02-10 05:23:26 | 1,064 | 4.313442 | 4.349679 | 4.848527 | 0.036236 | 0.498848 | 0.535085 | 0.535085 | -43.373916 | 3.603537 | 3.610485 | 4.025346 | -41.733517 | 0.027944 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.272604365167741, -0.0066820481582655, -1.0657995817551988], [-0.3434126226045287, 3.2534790939007245, -1.0702337294655757], [-0.0219556943209359, -0.0193774506591856, 5.483438802898389]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3414551716270005, -0.004966858291445596, -1.087942031428983], [-0.34903782238547454, 3.3219670203585676, -1.0932224356850249], [-0.005978046653624292, -0.0027287986146480206, 5.647846915901323]], "pbc": [true, true, t... | 3.746456 | 4.025346 | [
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0.20118240... | 6 | 6 | 0.902922 | 1.531804 | 0.892989 | 1.351965 | mattergen | mattergen_base |
mtgn_6173798_ | Y2 Hg1 Ru1 | Y2 Hg1 Ru1 | P4/mmm | 123 | -0.000005 | 2026-02-09 22:44:41 | 1,064 | 3.99665 | 3.992205 | 3.967868 | 0.004445 | 0.024338 | 0.028783 | 0.028783 | -24.144328 | 3.557529 | 3.560225 | 1.643981 | -24.379517 | 0.010855 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.462998540041722, -0.0064877813034486, 0.002305815146783], [0.0063629394071148, 3.46325066614156, 0.0033781737997648], [-0.0062060491641645, -0.0079627664234959, 7.349989245735751]], "pbc": [true, true, true], "a": 3.4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4739620525397306, -0.008443927949722475, 0.001613337186458652], [0.004446877317109669, 3.4739632031811505, 0.0021806604600298454], [-0.007921973700739332, -0.010837428516570994, 7.671789657805256]], "pbc": [true, true... | 2.920579 | 3.560225 | [
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-0.03334541702... | 6 | 6 | 0.690913 | 2.42627 | 0.63765 | 2.314867 | mattergen | mattergen_base |
mtgn_6213801_ | Hf1 H1 Rh3 | Hf1 H1 Rh3 | Pm-3m | 221 | -0 | 2026-02-10 08:21:24 | 1,064 | 6.306449 | 6.310221 | 6.307843 | 0.003772 | 0.002378 | 0.001394 | 0.003772 | -38.507723 | 2.802124 | 2.802461 | 2.801853 | -38.870728 | 0.000086 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9289778386275236, -0.0022033295446648, 0.0021343432523613], [0.0017543425279176, 3.9285761946470283, 0.0013056616527784], [-0.0022583911468054, -0.0020706299418129, 3.928843516604263]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.996455809161185, -0.0015486832903635979, 0.002749155769700424], [0.002477119084747354, 3.9966214281783747, 0.002114384407669483], [-0.001718966546543594, -0.00132082329584978, 3.996451295935406]], "pbc": [true, true, ... | 2.802146 | 2.802461 | [
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-0.003195121... | 6 | 6 | 0.975977 | 0.870863 | 0.925993 | 0.901488 | mattergen | mattergen_base |
mtgn_3655803_Y1Hf2Ir2 | Y1 Hf2 Ir2 | Y2 Hf4 Ir4 | I4/mmm | 139 | -0 | 2026-02-10 01:27:48 | 1,064 | 4.588406 | 4.664242 | 5.126165 | 0.075836 | 0.461923 | 0.537759 | 0.537759 | -48.273292 | 2.388466 | 2.41364 | 3.049356 | -48.232876 | 0.000391 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1320104061796545, 0.0028202414062756, -1.5266312668295545], [-0.5583841029107349, 4.094107002133378, -1.5257824933297228], [-0.0397634964332868, -0.0477098418111427, 6.271340502855097]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1807885280750385, -0.0003722700563820158, -1.5423004765917263], [-0.5680727108291199, 4.141951177563893, -1.5411747113543772], [-0.022892931448387194, -0.027997686595815762, 6.382560344097271]], "pbc": [true, true, tr... | 2.617154 | 3.049356 | [
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0.0090627... | 6 | 6 | 0.494205 | 2.70991 | 0.446406 | 2.660589 | mattergen | mattergen_base |
mtgn_3460890_Lu2S1O2 | Lu2 S1 O2 | Lu2 S1 O2 | P-3m1 | 164 | -0.000002 | 2026-02-10 08:03:25 | 1,064 | 2.417545 | 2.417525 | 2.406558 | 0.000021 | 0.010966 | 0.010987 | 0.010987 | -38.625129 | 0.004984 | 0.004984 | 0.004737 | -39.350216 | 0.004025 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7135345017280073, 0.000352525809023, 0.0002660085114887], [-1.8570669158109847, 3.2160375324473485, -0.0012097880893263], [-0.0007712963666151, 0.0023451497562093, 6.4928479040164975]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7093805907163726, 0.00041319862649430976, 0.00023960209265190657], [-1.8549367500969463, 3.2126404475821286, -0.0011614801515784949], [-0.0008156826587258117, 0.0024091464943017064, 6.479744989460674]], "pbc": [true, ... | 0.004902 | 0.004984 | [
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0.009821... | 6 | 6 | 0.019025 | 0.017597 | 0.016351 | 0.020466 | mattergen | mattergen_base |
mtgn_4182387_CeHgRh2 | Ce1 Hg1 Rh2 | Ce1 Hg1 Rh2 | P4/mmm | 123 | -0.000001 | 2026-02-10 08:07:13 | 1,064 | 6.041397 | 5.455465 | 5.455403 | 0.585932 | 0.000062 | 0.585994 | 0.585994 | -22.795365 | 1.802464 | 2.840317 | 2.840285 | -23.106752 | 0.000136 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7550065338911933, -0.0119271203408439, 0.0063665741196375], [0.0137697416072134, 4.369505066572072, 0.0063775582876595], [-0.0073175804415076, -0.0061586396720284, 4.36963155469374]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.809869105646027, -0.011857893088832045, 0.006510606720777378], [0.01427045852732987, 4.437665430392534, 0.0054504322600836584], [-0.007375833530328105, -0.007281577530463566, 4.437531871260221]], "pbc": [true, true, t... | 2.494355 | 2.840317 | [
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0.05791325553... | 6 | 6 | 0.661535 | 0.378255 | 0.566522 | 0.397037 | mattergen | mattergen_base |
mtgn_3060368_Ca1Ta1Ti1Ir2 | Ca1 Ta1 Ti1 Ir2 | Ca2 Ta2 Ti2 Ir4 | I-4m2 | 119 | -0.000002 | 2026-02-10 04:00:24 | 1,064 | 3.524296 | 3.497145 | 3.416155 | 0.027151 | 0.08099 | 0.108141 | 0.108141 | -42.366243 | 2.561008 | 2.582406 | 3.421756 | -42.596378 | 0.000724 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.04513238368053, -0.0013433622775991, -1.505027554709739], [-0.5558231557155563, 4.006034065713524, -1.5043741991250061], [-0.0483662729492883, -0.0547245970685988, 6.069100525430426]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1171593987223085, -0.0017920852342336428, -1.5297068734013695], [-0.5661470365120685, 4.076767185129387, -1.5290594840884675], [-0.05961316590354361, -0.06763624600099054, 6.140703041765219]], "pbc": [true, true, true... | 2.855057 | 3.421756 | [
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0.05235... | 6 | 6 | 0.43307 | 1.665213 | 0.375764 | 1.664211 | mattergen | mattergen_base |
mtgn_723600_K1N1O2 | K1 N1 O2 | K2 N2 O4 | Imm2 | 44 | -0.00003 | 2026-02-10 07:46:25 | 1,064 | 1.451379 | 1.683452 | 1.608479 | 0.232072 | 0.074972 | 0.1571 | 0.232072 | -23.06241 | 0.001309 | 0.003089 | 0.002487 | -23.148535 | 0.001209 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.720994579634041, 0.0045433853301901, 1.8324033708582148], [1.7084265229765536, 4.283404791976537, 1.2251145925619331], [-0.0367404244647199, 0.0091725472853457, 4.772018528619139]], "pbc": [true, true, true], "a": 4.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7982329486906163, 0.0019814351009026345, 1.8694497230166316], [1.7415943191038925, 4.281418353369618, 1.2485861967044645], [0.0005837945363640839, 0.014674204354089145, 4.791143565310702]], "pbc": [true, true, true], ... | 0.002295 | 0.003089 | [
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-0.02761... | 7 | 7 | 0.271657 | 0.010966 | 0.269832 | 0.010408 | mattergen | mattergen_base finetuned on dn and k_1064 (NOEMD) |
mtgn_3448935_Zn1Fe1Co2 | Zn1 Fe1 Co2 | Zn4 Fe4 Co8 | Fm-3m | 225 | -0 | 2026-02-10 01:00:29 | 1,064 | 5.932374 | 5.937946 | 5.943731 | 0.005572 | 0.005786 | 0.011358 | 0.011358 | -23.555806 | 3.088536 | 3.077613 | 3.067677 | -24.181385 | 0.000122 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4577686095527866, 0.0037159615781361, 1.9891552343222643], [1.1517396500711927, 3.2599390096248144, 1.991100792616471], [0.0060587514502784, 0.0034766283723168, 3.990033757399142]], "pbc": [true, true, true], "a": 3.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.506206935098217, 0.0030768855641373316, 2.0161231263612382], [1.1670645766565553, 3.3051536569774878, 2.018369953877216], [0.0050227332165245645, 0.0030659558419714374, 4.0460764789263335]], "pbc": [true, true, true],... | 3.077942 | 3.088536 | [
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0.09777437028342... | 6 | 6 | 0.956129 | 0.695189 | 0.970095 | 0.748253 | mattergen | mattergen_base |
mtgn_6244133_ | Sr1 P2 Os2 | Sr2 P4 Os4 | I4/mmm | 139 | -0.000007 | 2026-02-10 10:26:31 | 1,064 | 5.113879 | 5.098875 | 4.575953 | 0.015003 | 0.522923 | 0.537926 | 0.537926 | -38.084758 | 1.598141 | 1.620318 | 2.414382 | -38.191868 | 0.010153 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8438553434074847, -0.0001929925770873, -1.3148121448570644], [-0.447957685543681, 3.817856207106219, -1.3129580099337246], [-0.0276278635069904, -0.0333495404500539, 6.239043532831537]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.863782677511151, 0.000887876176287386, -1.3171027087369254], [-0.44885580158603483, 3.8363299980346572, -1.3142235315449804], [0.015465484374291242, 0.016697646465256833, 6.376369303025189]], "pbc": [true, true, true]... | 1.877614 | 2.414382 | [
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0.0967734103... | 6 | 6 | 0.671345 | 0.316404 | 0.60758 | 0.31913 | mattergen | mattergen_base |
mtgn_6096836_ | La2 Rh1 I1 | La6 Rh3 I3 | R-3m | 166 | -0.000007 | 2026-02-10 10:36:23 | 1,064 | 2.813047 | 2.61201 | 4.754476 | 0.201037 | 2.142466 | 1.94143 | 2.142466 | -22.706443 | 1.910349 | 2.019479 | 1.406075 | -22.875294 | 0.008591 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0427022738604625, -0.002331253240364, -1.0236115090076665], [-2.1518741761573397, 3.5741766565245676, -0.0019114921904074], [-0.0083410709227289, -0.0012660483083105, 8.501702845327694]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.144439548415327, -0.0006330114421826881, -1.046906283488224], [-2.204445825592959, 3.662836944447649, -0.0018395673582427496], [-0.025043101727693456, -0.010983190842494338, 8.630060800513911]], "pbc": [true, true, tr... | 1.778634 | 2.019479 | [
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-0.01463... | 6 | 6 | 0.672339 | 2.096279 | 0.631954 | 2.324811 | mattergen | mattergen_base |
mtgn_4007679_Y2BC2 | Y2 B1 C2 | Y4 B2 C4 | I4/mmm | 139 | -0.000007 | 2026-02-10 06:29:24 | 1,064 | 3.780292 | 3.792702 | 3.196115 | 0.01241 | 0.596587 | 0.584177 | 0.596587 | -40.339838 | 1.078382 | 1.153122 | 1.418785 | -40.388851 | 0.005562 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4250740477764428, 0.0017884377914147, -1.0701348746166792], [-0.3333352409513563, 3.410015297953184, -1.0660662707753301], [0.0213205406971068, 0.0308724286715464, 6.047866490499001]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4615411508900693, 0.000581032933165988, -1.0828713692584246], [-0.33814235292488753, 3.4460561403129395, -1.0788727578847073], [0.021062701378947005, 0.030458857136466275, 6.118353418047623]], "pbc": [true, true, true... | 1.216763 | 1.418785 | [
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0.1581684... | 6 | 6 | 0.432641 | 0.276919 | 0.481488 | 0.267823 | mattergen | mattergen_base |
mtgn_6194457_ | Y1 Si2 Os1 Ru1 | Y2 Si4 Os2 Ru2 | I-4m2 | 119 | -0.000002 | 2026-02-10 05:07:23 | 1,064 | 3.101316 | 3.1616 | 2.876423 | 0.060283 | 0.285177 | 0.224893 | 0.285177 | -41.789825 | 2.623902 | 2.709135 | 3.513774 | -41.918449 | 0.006148 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.848385156307763, 0.0006688591103699, -1.5272138523608232], [-0.6042460411266171, 3.8011122210513673, -1.5262604436938185], [0.0002160396360902, -0.0013103792442145, 5.605080439208022]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8910155726421207, -0.0007144016539964459, -1.545368578462269], [-0.6120851527134745, 3.8431896318768084, -1.543829914136211], [-0.009991123378226704, -0.012435506462353052, 5.645923097411058]], "pbc": [true, true, tru... | 2.948937 | 3.513774 | [
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-0.0332935508... | 6 | 6 | 0.174037 | 0.623084 | 0.181992 | 0.579137 | mattergen | mattergen_base |
mtgn_6163948_ | Ni1 Pd1 Pt2 | Ni1 Pd1 Pt2 | P4/mmm | 123 | -0.000007 | 2026-02-10 06:25:52 | 1,064 | 2.447082 | 2.447429 | 2.546442 | 0.000347 | 0.099013 | 0.09936 | 0.09936 | -23.055664 | 6.192149 | 6.199832 | 6.228593 | -23.304508 | 0.000987 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7394572824308914, 0.0002042941268856, 0.0019229320248851], [6.91072598129e-05, 2.7390952540836344, -0.0031339867860766], [-0.0060183815294511, 0.0073450760133823, 7.3632718229180565]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7510369055501918, 6.476966857463478e-05, 0.0017429599511301335], [-7.130626093797218e-05, 2.7513060839715577, -0.002510397965180905], [-0.006746472263156314, 0.009368832999391077, 7.640879515564297]], "pbc": [true, tr... | 6.206858 | 6.228593 | [
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0.1469878337... | 6 | 6 | 1.430647 | 4.940607 | 1.294385 | 4.968818 | mattergen | mattergen_base |
cd-251023-a0e1bfa2ce4449859aea09ee0e9ee7a7 | Ba1 Ta1 N1 O2 | Ba1 Ta1 N1 O2 | P4mm | 99 | -0.000175 | 2026-02-10 03:16:13 | 1,064 | 2.853469 | 2.490902 | 2.490902 | 0.362567 | 0 | 0.362567 | 0.362567 | -43.546714 | 0.013562 | 0.009615 | 0.009615 | -43.627262 | 0.005003 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.313084941147349, 0.0001153558440085, 0.0006003158412879], [7.44444946817e-05, 4.078619261554362, 4.1696485101e-05], [-0.0005656712649949, 4.4602347972e-05, 4.078650727521233]], "pbc": [true, true, true], "a": 4.313084... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.364791122569986,0.0,0.001208964065217768],[-0.00003374198314509338,4.095321889859954,-2.9241179699969522e-6],[0.0,0.0,4.09501786]],"pbc":[true,true,true],"a":4.36479129,"b":4.09532189,"c":4.09501786,"alpha":90.00004091,"beta"... | 0.010931 | 0.013562 | [
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0.... | 0 | 0 | 0.255698 | 0.158861 | 0.263313 | 0.16855 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
mtgn_6240309_ | Y1 Si2 Ni1 Os1 | Y2 Si4 Ni2 Os2 | I-4m2 | 119 | -0.000003 | 2026-02-10 10:26:29 | 1,064 | 4.842841 | 4.782897 | 3.793863 | 0.059943 | 0.989034 | 1.048978 | 1.048978 | -37.874905 | 2.855679 | 2.839984 | 2.654524 | -38.296207 | 0.007418 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6981874054195125, 0.0042547449807725, -1.3557688036913744], [-0.4985767365127906, 3.664779425319697, -1.3549623112530913], [-0.0002163736764716, -0.0019531872425261, 5.715671821521765]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7523513333072733, 0.002894322993958668, -1.3762999535385343], [-0.507241772615487, 3.7182922395534366, -1.3753534521965174], [-0.02017226426060442, -0.02464478728233252, 5.7477290183573695]], "pbc": [true, true, true]... | 2.783396 | 2.855679 | [
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-0.0000036881... | 6 | 6 | 0.155514 | 0.710555 | 0.171728 | 0.741805 | mattergen | mattergen_base |
mtgn_6243493_ | Zn1 Si1 Rh2 | Zn1 Si1 Rh2 | P4/mmm | 123 | -0.000014 | 2026-02-10 00:42:43 | 1,064 | 6.026688 | 6.024163 | 3.244254 | 0.002525 | 2.77991 | 2.782434 | 2.782434 | -23.718816 | 1.802018 | 1.793834 | 3.60015 | -24.189381 | 0.002218 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8350513353228526, -0.0032519408098314, 0.0022560919683835], [0.0033972706131133, 2.8344224711423345, 0.0021878120549911], [-0.0051292319778847, -0.0041726054968636, 6.477806349205087]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8911914813766098, -0.004144998097025169, 0.0020261934543330325], [0.0026367939089734773, 2.8911130674729164, 0.0018126636693337737], [-0.005744161648320981, -0.005108611437665736, 6.467765101694021]], "pbc": [true, tr... | 2.398667 | 3.60015 | [
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0.01719103603155... | 6 | 6 | 0.336467 | 0.100498 | 0.295911 | 0.087039 | mattergen | mattergen_base |
mtgn_3427375_La2Pt1Br1 | La2 Pt1 Br1 | La6 Pt3 Br3 | R-3m | 166 | -0.000002 | 2026-02-10 10:15:33 | 1,064 | 3.235098 | 3.195334 | 4.458878 | 0.039763 | 1.263544 | 1.223781 | 1.263544 | -22.822112 | 2.832094 | 2.909461 | 2.163167 | -22.959167 | 0.013496 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0738225043645615, -0.0012793564538554, 1.1133822205939772], [1.8869168539519006, 3.6086496046623817, 1.1157925952680774], [-0.0091038726216777, -0.0111563848368041, 8.094341364298716]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.155479431152345, 0.0, 1.1338174343109124], [1.9252022358452325, 3.679321178041343, 1.1388052701950075], [0.0, 0.0, 8.208779335021973]], "pbc": [true, true, true], "a": 4.307383344569832, "b": 4.3058896204513815, "c": ... | 2.634907 | 2.909461 | [
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-0.0197... | 6 | 6 | 0.480948 | 3.033842 | 0.610914 | 3.252729 | mattergen | mattergen_base |
mtgn_4012053_LaSi2IrRu | La1 Si2 Ir1 Ru1 | La2 Si4 Ir2 Ru2 | I-4m2 | 119 | -0.000004 | 2026-02-10 08:33:38 | 1,064 | 3.952058 | 3.960666 | 3.682003 | 0.008607 | 0.278663 | 0.270056 | 0.278663 | -38.727629 | 2.344006 | 2.346247 | 1.721088 | -38.862579 | 0.006464 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8874927314540266, -0.0036710576357125, -1.4703206926248167], [-0.5571134911669087, 3.847930091830326, -1.4701789908753142], [-0.0345847678383947, -0.0407531789090118, 5.8060186588399025]], "pbc": [true, true, true], "... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.922466865690755, 6.45581177674838e-05, -1.4799425983488583], [-0.5584536453608606, 3.883062645294081, -1.4799550178696435], [-0.013421798476340865, -0.01657604100792295, 5.900710671661373]], "pbc": [true, true, true],... | 2.137114 | 2.346247 | [
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mtgn_4140780_CeZnRh2 | Ce1 Zn1 Rh2 | Ce1 Zn1 Rh2 | P4/mmm | 123 | -0 | 2026-02-09 20:23:56 | 1,064 | 5.883881 | 5.826897 | 5.827041 | 0.056984 | 0.000144 | 0.056841 | 0.056984 | -24.207168 | 1.394726 | 2.618727 | 2.619409 | -24.562466 | 0.000241 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.663576746582003, 0.0017055582462762, -3.79502990204e-05], [-0.0024460172200367, 4.23592672993151, -0.0006261691852707], [-0.0002331136768829, 0.0011380253383545, 4.236229415412645]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7029345779769396, 0.0015668790842670206, 9.502373784934536e-05], [-0.0026715254798074495, 4.319966091237146, -0.0009360536296066196], [-7.83137833026034e-05, 0.000863218339324131, 4.320185268283888]], "pbc": [true, tr... | 2.210954 | 2.619409 | [
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mtgn_6154530_ | Ca1 Fe2 C2 | Ca2 Fe4 C4 | I4/mmm | 139 | -0.000003 | 2026-02-10 11:08:51 | 1,064 | 4.099772 | 4.083922 | 3.332299 | 0.01585 | 0.751623 | 0.767473 | 0.767473 | -37.325954 | 2.26787 | 2.289392 | 1.670693 | -37.972775 | 0.015123 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2805700909862385, 0.0012072746132311, -1.1074180663936304], [-0.3749480216522554, 3.2598128277509457, -1.1048673537630718], [0.0070472932612647, 0.0071500030025908, 5.421066861104812]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3168813680681044, 0.00030923411550880524, -1.1234499533375786], [-0.3798398433689919, 3.295489081717074, -1.1203769457275066], [0.005045972929625231, 0.005705561181983539, 5.493403133326685]], "pbc": [true, true, true... | 2.075985 | 2.289392 | [
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mtgn_6177281_ | Y1 Fe1 Co1 B2 | Y2 Fe2 Co2 B4 | I-4m2 | 119 | -0.000004 | 2026-02-10 11:18:07 | 1,064 | 3.962359 | 3.961622 | 3.540004 | 0.000737 | 0.421618 | 0.422355 | 0.422355 | -37.691069 | 2.918817 | 2.895367 | 3.416069 | -37.923023 | 0.001251 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3696831760333645, 0.0098274601969341, -1.224046625813015], [-0.4523174640746481, 3.342993406898369, -1.2137067941994737], [-0.0142824447773046, -0.0325091450127699, 5.206694101436263]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3767155262779465, 0.0105620346698276, -1.2271042455142274], [-0.45261437946128236, 3.3502650824346007, -1.2169052295799816], [0.02514938701110478, 0.0120809906072757, 5.328677405328067]], "pbc": [true, true, true], "a... | 3.076751 | 3.416069 | [
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mtgn_596107_Ce2Pb1N1O1 | Ce2 Pb1 N1 O1 | Ce4 Pb2 N2 O2 | I-4m2 | 119 | -0.002316 | 2026-02-10 11:17:42 | 1,064 | 4.481952 | 4.482413 | 4.147913 | 0.000461 | 0.3345 | 0.334039 | 0.3345 | -37.878756 | 3.911968 | 3.888062 | 3.18559 | -38.042389 | 0.006515 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8129913138063625, 0.0039761200142491, -1.0688168879343238], [-0.3024498566625387, 3.8001924635989024, -1.0695221248751756], [-0.0309916484167766, -0.0348375872636389, 7.2258147606464815]], "pbc": [true, true, true], "... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8551341980014766, 0.0037600786725955353, -1.0800920039130397], [-0.30611639918380484, 3.841111345194272, -1.0810394431427923], [-0.03656007259453872, -0.04133300102017406, 7.28335511383383]], "pbc": [true, true, true]... | 3.661873 | 3.911968 | [
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mtgn_6125203_ | Mn2 Al1 B2 | Mn4 Al2 B4 | Cmmm | 65 | -0.000002 | 2026-02-10 11:14:40 | 1,064 | 5.59128 | 6.04398 | 5.412392 | 0.452699 | 0.631587 | 0.178888 | 0.631587 | -37.438712 | 2.390213 | 3.386634 | 1.874458 | -37.77919 | 0.016211 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.784952593864808, -0.0001686317486007, -0.7326607147163279], [0.000268611077324, 2.809533018089821, 0.0003345445827799], [-7.16086151793e-05, -0.0006774150123295, 5.6615759451738015]], "pbc": [true, true, true], "a": 2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8042661852832476, -0.0001712856860734051, -0.7376211514499077], [0.0002642885085256326, 2.843599668155848, 0.0003157705737993846], [0.00942643412771443, -0.0007338654890598835, 5.73599611215854]], "pbc": [true, true, ... | 2.550435 | 3.386634 | [
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mtgn_6221726_ | Y1 Si2 Rh2 | Y2 Si4 Rh4 | I4/mmm | 139 | -0.000001 | 2026-02-10 11:34:48 | 1,064 | 4.873842 | 4.876626 | 3.877019 | 0.002784 | 0.999607 | 0.996823 | 0.999607 | -37.407735 | 3.082456 | 3.135775 | 2.339375 | -37.658798 | 0.004448 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7548331741654035, -0.0001526068959638, -1.4092782922497398], [-0.5276131626519861, 3.7181428474021057, -1.40947720950861], [0.0067072572832962, 0.0076686157203222, 5.728428597022918]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8109975068192257, -0.0004160414012874755, -1.4293604567368916], [-0.5359532798608884, 3.7735390298631017, -1.430067187079142], [-0.0074472256322972155, -0.009419992496993069, 5.772061920698219]], "pbc": [true, true, t... | 2.852535 | 3.135775 | [
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mtgn_4181986_La2SbO2 | La2 Sb1 O2 | La4 Sb2 O4 | I4/mmm | 139 | -0.000002 | 2026-02-10 11:50:47 | 1,064 | 2.433026 | 2.438404 | 2.679986 | 0.005377 | 0.241582 | 0.24696 | 0.24696 | -37.378093 | 0.049157 | 0.04911 | 0.047164 | -37.526531 | 0.002111 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.882401622436886, -0.0019491858154571, -1.0916368541555852], [-0.3049902963613752, 3.8706111985806273, -1.091526347917214], [0.0230677353719317, 0.0244122940476393, 7.531057961279531]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9028442629699502, -0.0019304935119054474, -1.097319960950853], [-0.3065891924015764, 3.8915987592317283, -1.0972877063099045], [0.023861702565469687, 0.025118450088035607, 7.572655068931371]], "pbc": [true, true, true... | 0.048477 | 0.049157 | [
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mtgn_4134188_LaCoSi2Os | La1 Co1 Si2 Os1 | La2 Co2 Si4 Os2 | I-4m2 | 119 | -0.000007 | 2026-02-10 11:34:47 | 1,064 | 4.736877 | 4.729474 | 4.086825 | 0.007403 | 0.642649 | 0.650052 | 0.650052 | -37.578882 | 2.286549 | 2.247047 | 1.967444 | -37.706837 | 0.011239 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8156973891002504, -0.0027002078644001, -1.4322876362898473], [-0.5343200952293287, 3.7787069927459047, -1.430799835707264], [-0.0185720806146291, -0.0238592867005626, 5.778280415021092]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.845661797421938, -0.0013065100204984724, -1.439785120726778], [-0.5370646104657444, 3.808519606367722, -1.4381560641207816], [0.0065239699677766385, 0.0051694406065273014, 5.875628602215738]], "pbc": [true, true, true... | 2.167013 | 2.286549 | [
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mtgn_3140333_La2Ir1I1 | La2 Ir1 I1 | La6 Ir3 I3 | R-3m | 166 | -0.000005 | 2026-02-10 15:22:47 | 1,064 | 2.511538 | 2.445314 | 3.741288 | 0.066224 | 1.295974 | 1.22975 | 1.295974 | -24.548585 | 1.630375 | 1.768096 | 0.787362 | -24.587223 | 0.009425 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.072014094159356, -0.0004615778683972, 1.040971895211126], [1.9043729913653993, 3.5989773326565024, 1.0400980474394599], [0.0238445899813914, 0.0156597971778676, 8.438100477825435]], "pbc": [true, true, true], "a": 4.2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.139017324284256, -0.0013047524216260593, 1.055708266676549], [1.9348880859767574, 3.6591729405675273, 1.0551415963285724], [0.003930192540958081, 0.004461260615808528, 8.636856200683741]], "pbc": [true, true, true], "... | 1.395278 | 1.768096 | [
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-0.007... | 6 | 6 | 0.655769 | 2.423223 | 0.612242 | 2.696651 | mattergen | mattergen_base |
mtgn_3431052_Ti1Al1Cu1Pt1 | Ti1 Al1 Cu1 Pt1 | Ti4 Al4 Cu4 Pt4 | F-43m | 216 | -0.000001 | 2026-02-10 15:07:01 | 1,064 | 7.143426 | 7.253266 | 7.357992 | 0.10984 | 0.104726 | 0.214566 | 0.214566 | -24.105988 | 3.490678 | 3.528976 | 3.563866 | -24.625647 | 0.000321 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.720060797835228, 0.0032545640832242, -2.134778074311567], [-1.234981674853489, 3.509798697638987, -2.1339993452774966], [-0.0013331113757733, -0.0030058152200638, 4.3000841864227235]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7636669907855786, 0.0009988861745005408, -2.158951570394235], [-1.2516768504776588, 3.551405531685871, -2.1582587825410733], [0.0008662751159280263, -2.9275251952242456e-05, 4.352638781673779]], "pbc": [true, true, tr... | 3.52784 | 3.563866 | [
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0.005901... | 6 | 6 | 0.178609 | 1.587359 | 0.152363 | 1.365986 | mattergen | mattergen_base |
mtgn_6163213_ | La1 Pr1 Bi1 O2 | La2 Pr2 Bi2 O4 | I4mm | 107 | -0.000004 | 2026-02-10 16:05:43 | 1,064 | 1.739495 | 1.607767 | 2.740915 | 0.131728 | 1.133148 | 1.00142 | 1.133148 | -38.406101 | 3.157411 | 3.173439 | 1.229316 | -36.616516 | 0.019824 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.866641774928274, 0.00236976181192, -1.0800607686219204], [-0.3034949295380405, 3.8521320712654816, -1.0790928526357164], [-0.0389233331890374, -0.0412242271484861, 7.325436577230268]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9225541834082867, 0.002214317408402124, -1.096007822158348], [-0.30810424698505245, 3.9091849449175395, -1.0951384240473239], [0.0306036534853264, 0.03377988081753783, 7.684555751617215]], "pbc": [true, true, true], "... | 2.520055 | 3.173439 | [
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mtgn_3429690_Fe2Se2 | Fe2 Se2 | Fe2 Se2 | P4/nmm | 129 | -0.000005 | 2026-02-10 13:57:12 | 1,064 | 5.592002 | 5.5938 | 3.498944 | 0.001798 | 2.094856 | 2.093058 | 2.094856 | -24.550466 | 2.042006 | 2.042815 | 0.336759 | -24.981142 | 0.02598 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6579773670080984, 0.0004080880454615, -0.0006177580304654], [-0.0004101751631648, 3.658106917976199, -0.0027403295581033], [0.0008546858127393, 0.0023070730194098, 5.421245697770666]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5568332300495524, 0.00044418512164172836, -0.0006516973299834002], [-0.0003498939469400349, 3.555195991367646, -0.002848930055923474], [0.0026420339353119006, -7.807570848447414e-06, 6.713157636514092]], "pbc": [true,... | 1.47386 | 2.042815 | [
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mtgn_6060948_ | La2 B1 C2 | La4 B2 C4 | I4/mmm | 139 | -0.000001 | 2026-02-10 15:58:47 | 1,064 | 2.930656 | 2.900116 | 2.632476 | 0.03054 | 0.267641 | 0.29818 | 0.29818 | -36.395821 | 1.146143 | 1.146592 | 1.05699 | -36.496979 | 0.011694 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6998179190719314, 0.0055303914171438, -1.2273883219011965], [-0.4111869476807776, 3.676410031149823, -1.2281710863446065], [0.0299943816910002, 0.0382466077759295, 6.2025347430897835]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.724480140606087, 0.0026244315586225983, -1.241713865259622], [-0.4170686983631336, 3.7005331385695355, -1.2431634378548557], [0.048444690011984155, 0.057855946564170764, 6.329917188473603]], "pbc": [true, true, true],... | 1.116575 | 1.146592 | [
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0.0... | 6 | 6 | 0.437757 | 0.692767 | 0.44223 | 0.666338 | mattergen | mattergen_base |
mtgn_6132910_ | Sr1 P2 Os1 Ru1 | Sr2 P4 Os2 Ru2 | I-4m2 | 119 | -0 | 2026-02-10 13:47:07 | 1,064 | 5.046039 | 5.027265 | 3.875946 | 0.018774 | 1.151319 | 1.170094 | 1.170094 | -36.810002 | 1.308095 | 1.305372 | 1.910695 | -36.967068 | 0.007598 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8291667812495667, 0.0002936734605265, -1.3020843328031835], [-0.4435952714797241, 3.802895243509806, -1.3034585910474794], [-0.0158807791680595, -0.0166920440990622, 6.256480086993762]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8608282032498997, 0.0009776228765897162, -1.310944160873395], [-0.44634395581501174, 3.8339525926405322, -1.3116150865158274], [-0.0002495425273094675, 0.0020822484562795004, 6.345380083805284]], "pbc": [true, true, t... | 1.508054 | 1.910695 | [
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0.0647780800... | 6 | 6 | 0.340527 | 0.270063 | 0.319023 | 0.274587 | mattergen | mattergen_base |
mtgn_6019260_ | Lu1 Mn2 Si2 | Lu2 Mn4 Si4 | I4/mmm | 139 | -0.000001 | 2026-02-10 14:51:03 | 1,064 | 5.081885 | 5.032783 | 4.257488 | 0.049103 | 0.775295 | 0.824397 | 0.824397 | -36.334372 | 2.407729 | 2.389205 | 2.533102 | -36.778103 | 0.002501 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.587479738924262, 0.0027672303246277, -1.2751090149252577], [-0.4545906244254129, 3.5582700474420963, -1.2746841774673756], [0.0226500289280851, 0.0249593357639396, 5.758380400687752]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.623781240728824, 0.0026252260733705198, -1.2867419395024449], [-0.45916730711520876, 3.5940086383203464, -1.285773997279666], [0.019777058230324756, 0.022558820987112715, 5.802190090226644]], "pbc": [true, true, true]... | 2.443345 | 2.533102 | [
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0.00542735469... | 6 | 6 | 0.150931 | 1.046968 | 0.155792 | 1.075956 | mattergen | mattergen_base |
mtgn_1285284_Ti3In1O1 | Ti3 In1 O1 | Ti3 In1 O1 | Pmmm | 47 | -0.000148 | 2026-02-10 13:10:56 | 1,064 | 4.47441 | 4.720746 | 5.278668 | 0.246335 | 0.557923 | 0.804258 | 0.804258 | -36.277009 | 3.41616 | 3.579265 | 3.296125 | -37.079678 | 0.01233 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.034693764636179, 0.0086486574863401, -0.002343383993118], [-0.0116495845549996, 4.144780861037353, -0.0007279824521252], [0.0044546643312677, 8.37118446069e-05, 5.813309584830989]], "pbc": [true, true, true], "a": 3.0... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1713829589390463, 0.009801663742185081, -0.0020709044192352495], [-0.010239125570880268, 4.006387065418859, -0.00032872508313576865], [0.005368993180008888, 0.000673579303804269, 6.067415962563995]], "pbc": [true, tru... | 3.430517 | 3.579265 | [
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mtgn_3310047_Lu2Si1Pt1 | Lu2 Si1 Pt1 | Lu4 Si2 Pt2 | Amm2 | 38 | -0.000546 | 2026-02-10 13:57:47 | 1,064 | 4.753427 | 3.748909 | 5.04909 | 1.004518 | 1.300182 | 0.295663 | 1.300182 | -24.591702 | 2.079247 | 3.440148 | 2.611381 | -24.798519 | 0.005384 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6048285992629148, 0.0031336275538923, -1.3339319703978794], [-0.0041025959318512, 4.085765315285122, -0.0008771589692006], [-0.0075524467544795, 0.0015244574254308, 5.532740939535164]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6724574132838685, 0.0032937899297937785, -1.3569434346711626], [-0.004214771016254251, 4.133917169956607, -0.0013621061643523487], [-0.03959241331382891, 0.0008491330027845923, 5.542055626385678]], "pbc": [true, true,... | 2.710259 | 3.440148 | [
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mtgn_6213125_ | La2 Sn1 O2 | La4 Sn2 O4 | I4/mmm | 139 | -0.000007 | 2026-02-10 15:31:47 | 1,064 | 1.20592 | 1.243248 | 2.817348 | 0.037328 | 1.5741 | 1.611427 | 1.611427 | -36.252482 | 0.964906 | 0.930949 | 0.342414 | -36.657196 | 0.003946 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8783973292736804, -0.0005792100316717, -1.0188124664431812], [-0.2668465657533508, 3.869445470487314, -1.017557347093799], [-0.0269421164296981, -0.0302533936073425, 7.791859530247924]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.918857421097109, -0.0006417779296233578, -1.0298938649978893], [-0.2697352237248875, 3.909505927999004, -1.028809684442387], [-0.09283274667114917, -0.10113653306076341, 7.626768984543573]], "pbc": [true, true, true],... | 0.74609 | 0.964906 | [
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mtgn_6040353_ | Sr1 Si2 Os2 | Sr2 Si4 Os4 | I4/mmm | 139 | -0.000004 | 2026-02-10 12:20:46 | 1,064 | 3.528048 | 3.509121 | 4.262998 | 0.018926 | 0.753877 | 0.734951 | 0.753877 | -37.219503 | 2.762123 | 2.79788 | 2.899544 | -37.314789 | 0.015373 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9132285154266424, -0.0033051697208747, -1.489816130283585], [-0.5615754654281704, 3.8739684745223535, -1.4864751747644485], [-0.0131526676513343, -0.0203222226874905, 5.848827567173908]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.961236202472492, -0.003526253559670512, -1.5082707287088533], [-0.5688495871920519, 3.9215093157301313, -1.5054295633015193], [-0.012895779103026821, -0.02090075948371351, 5.922389491561991]], "pbc": [true, true, true... | 2.819849 | 2.899544 | [
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0.0095793... | 6 | 6 | 0.580135 | 0.529541 | 0.546341 | 0.455191 | mattergen | mattergen_base |
mtgn_2930979_Nd1Fe1Si2Ir1 | Nd1 Fe1 Si2 Ir1 | Nd2 Fe2 Si4 Ir2 | I-4m2 | 119 | -0.000568 | 2026-02-10 13:36:38 | 1,064 | 4.568187 | 4.536251 | 3.995113 | 0.031935 | 0.541138 | 0.573074 | 0.573074 | -39.755327 | 2.760078 | 2.80508 | 3.09965 | -37.142151 | 0.009797 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7663537970898138, -0.0031236052219334, -1.4260767465248971], [-0.5421974819189004, 3.7257027968400354, -1.425346263553385], [-0.0152573663022602, -0.0177848437205971, 5.6616314473332965]], "pbc": [true, true, true], "... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.825891897038163, 0.0006120718196535523, -1.4462026491699513], [-0.5471915987608825, 3.7866111826290147, -1.4459087963539423], [-0.0032079207802372164, -0.00456555399481359, 5.774026553705887]], "pbc": [true, true, tru... | 2.888269 | 3.09965 | [
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0.02425079... | 6 | 6 | 0.271569 | 0.791148 | 0.273604 | 0.850093 | mattergen | mattergen_base |
mtgn_3425291_Y1Co2P2 | Y1 Co2 P2 | Y2 Co4 P4 | I4/mmm | 139 | -0.000006 | 2026-02-10 15:46:45 | 1,064 | 4.140362 | 4.096235 | 3.896748 | 0.044128 | 0.199487 | 0.243614 | 0.243614 | -36.411767 | 2.431152 | 2.462994 | 2.452314 | -36.561089 | 0.002204 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.552916011195803, -0.0008804198978301, -1.329270714781869], [-0.4974129603049319, 3.517868847125191, -1.3295359290960134], [-0.0164154569182843, -0.018443482256334, 5.372507379307055]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.598513966455171, -0.0002672361339758799, -1.34567506938034], [-0.5031273032429068, 3.5632241621596874, -1.345807067467191], [-0.0184441821517668, -0.02056580086843946, 5.433961327414243]], "pbc": [true, true, true], "... | 2.44882 | 2.462994 | [
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0.12801390531... | 6 | 6 | 0.152163 | 0.483377 | 0.192117 | 0.478577 | mattergen | mattergen_base |
mtgn_4009490_Sc2HgRu | Sc2 Hg1 Ru1 | Sc2 Hg1 Ru1 | P4/mmm | 123 | -0.000025 | 2026-02-10 16:02:36 | 1,064 | 5.188218 | 5.187955 | 4.599967 | 0.000264 | 0.587988 | 0.588252 | 0.588252 | -24.102469 | 2.485882 | 2.491782 | 0.697418 | -24.522669 | 0.013635 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2538572068877305, 0.0034494723946418, -0.004471050509245], [-0.0035622785060881, 3.254088373345946, -0.003029396262271], [0.0107809641110286, 0.0064160549080524, 6.8817586050331405]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.275773192568876, 0.004126359329912716, -0.0038739811513667784], [-0.0029316048591520733, 3.275530819750662, -0.002451293089150611], [0.012644409829573804, 0.008027364862851532, 7.2372525549878635]], "pbc": [true, true... | 1.891694 | 2.491782 | [
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mtgn_1359050_Nd1Si2Ru1Rh1 | Nd1 Si2 Ru1 Rh1 | Nd2 Si4 Ru2 Rh2 | I-4m2 | 119 | -0.000001 | 2026-02-10 13:17:43 | 1,064 | 4.344459 | 4.458026 | 3.915912 | 0.113568 | 0.542114 | 0.428547 | 0.542114 | -39.806112 | 2.808313 | 2.840282 | 3.715073 | -37.235359 | 0.007305 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8339550845995776, -0.0004457663068433, -1.471054145650897], [-0.5599588114707031, 3.7918658840363335, -1.4731196073142867], [-0.0071566117898617, -0.0104358953768167, 5.726243919559986]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8837839964111036, -0.0021999283652704878, -1.4883239541154225], [-0.568426580249587, 3.841944474610847, -1.4890092014902825], [0.007391065905964463, 0.008511122099290428, 5.831572396477369]], "pbc": [true, true, true]... | 3.121223 | 3.715073 | [
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-0.03804362... | 6 | 6 | 0.181006 | 0.347247 | 0.189886 | 0.324027 | mattergen | mattergen_base |
mtgn_3403649_La1Fe1Si2Ir1 | La1 Fe1 Si2 Ir1 | La2 Fe2 Si4 Ir2 | I-4m2 | 119 | -0.000823 | 2026-02-10 12:25:47 | 1,064 | 5.083338 | 5.061039 | 3.99505 | 0.022298 | 1.065989 | 1.088287 | 1.088287 | -37.012116 | 2.2739 | 2.238374 | 2.053516 | -37.263882 | 0.008161 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.819669036388067, -0.0046240903783539, -1.428353716373095], [-0.5288808119014635, 3.783830513912149, -1.424464550440431], [-0.0314422815314034, -0.0426285257268423, 5.759983795525117]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8597713417583175, -0.0028845674990325785, -1.4396395626623053], [-0.5327151232767492, 3.824806236872925, -1.4358655685049944], [-0.011169357898859355, -0.019716479452920842, 5.860473786644127]], "pbc": [true, true, tr... | 2.188597 | 2.2739 | [
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0.021532007... | 6 | 6 | 0.308839 | 0.966882 | 0.29746 | 0.993807 | mattergen | mattergen_base |
mtgn_6065102_ | Y2 Mg1 Ru1 | Y2 Mg1 Ru1 | P4/mmm | 123 | -0.000024 | 2026-02-10 14:49:09 | 1,064 | 3.914151 | 3.914392 | 4.074069 | 0.000241 | 0.159677 | 0.159918 | 0.159918 | -24.613644 | 3.802983 | 3.802928 | 1.925237 | -24.898422 | 0.024908 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.476333041101774, -0.0010030190514094, 0.0009622294296877], [-0.0013865078142957, 3.476309995857892, 0.0012031780132063], [-0.0013208534608651, -0.0035345601229949, 7.546992615245537]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.443153293200917, 0.00013524293300566425, 0.0007664690259053169], [-0.00024228365168765752, 3.4433525087948196, 0.001501989063678215], [-0.0011919465956157394, -0.002578800474386467, 8.229915191120163]], "pbc": [true, ... | 3.177049 | 3.802983 | [
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mtgn_612090_Mn1Ag1O2 | Mn1 Ag1 O2 | Mn2 Ag2 O4 | C2/m | 12 | -0.000014 | 2026-02-10 15:55:50 | 1,064 | 2.744708 | 2.352387 | 2.517668 | 0.392321 | 0.165281 | 0.22704 | 0.392321 | -26.018808 | 0.996554 | 0.993693 | 0.873586 | -24.539948 | 0.003394 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8495569749793552, 0.0220532942718389, 0.6319372612767256], [1.2899546973376121, 2.7279357570551084, 0.8346092124982609], [0.0479223933000363, 0.0034286930627319, 6.476304594197917]], "pbc": [true, true, true], "a": 2.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8992587942679355, 0.02279710807987085, 0.6408557582183197], [1.3088113447044016, 2.816338792035313, 0.862944923762267], [0.048854476591654095, 0.04349470053796912, 6.565755346989359]], "pbc": [true, true, true], "a": ... | 0.954611 | 0.996554 | [
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0.060194386... | 6 | 6 | 0.844039 | 0.413356 | 0.916214 | 0.379621 | mattergen | mattergen_base finetuned on dn (NOEMD) |
mtgn_3276290_Pr1Fe1Si2Ir1 | Pr1 Fe1 Si2 Ir1 | Pr2 Fe2 Si4 Ir2 | I-4m2 | 119 | -0.000931 | 2026-02-10 14:01:16 | 1,064 | 4.682367 | 4.899804 | 4.989793 | 0.217437 | 0.089989 | 0.307426 | 0.307426 | -38.448073 | 3.457161 | 3.476476 | 4.176235 | -37.095863 | 0.016482 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.759357857045391, -0.0004892649631301, -1.4149153327180086], [-0.5312711604978405, 3.7189423955661214, -1.4133310193066653], [-0.0312906486590321, -0.0367404887542842, 5.6148217872196495]], "pbc": [true, true, true], "... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8380660416474592, -0.0007567157684690883, -1.44500735372213], [-0.5428504203382142, 3.7998843796360453, -1.4439592538258694], [-0.005177984275490454, -0.007987601475233539, 5.8051880470432335]], "pbc": [true, true, tr... | 3.703291 | 4.176235 | [
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0.04456381951... | 6 | 6 | 0.288008 | 0.898742 | 0.28285 | 1.007622 | mattergen | mattergen_base |
mtgn_6095481_ | Ti3 Zn1 C1 | Ti3 Zn1 C1 | Pm-3m | 221 | -0 | 2026-02-10 15:44:49 | 1,064 | 6.004126 | 6.005854 | 6.003476 | 0.001728 | 0.002378 | 0.00065 | 0.002378 | -35.904139 | 2.407744 | 2.405969 | 2.408096 | -36.543186 | 0.000259 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.126498930842522, -0.0002078956553935, -0.0003430866430754], [0.0001354049767927, 4.126694689925616, 0.0024731268778033], [0.0001238481698989, -0.0027433115170222, 4.126390746675958]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.170625228801652, -0.0001350287705065909, -0.00029057537778237364], [0.0002120021460881556, 4.170789443423774, 0.0032425689185307006], [0.00018135148738160345, -0.0020297676635862992, 4.170754038764031]], "pbc": [true,... | 2.40727 | 2.408096 | [
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0.0003078... | 6 | 6 | 0.320465 | 3.204287 | 0.313963 | 3.089929 | mattergen | mattergen_base |
mtgn_3501656_Ce1Pr1Sn1O2 | Ce1 Pr1 Sn1 O2 | Ce2 Pr2 Sn2 O4 | I4mm | 107 | -0.000905 | 2026-02-10 14:18:47 | 1,064 | 3.870132 | 3.87286 | 3.49649 | 0.002729 | 0.37637 | 0.373642 | 0.37637 | -38.756164 | 3.358232 | 3.362179 | 2.485607 | -37.017979 | 0.012013 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.770779139798829, 0.0041631084576213, -1.0503794284720946], [-0.287870347213551, 3.755915335182346, -1.051148072285889], [-0.018572625250883, -0.01642000534766, 7.240546256620014]], "pbc": [true, true, true], "a": 3.91... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.843675299871265, 3.25780926435922e-05, -1.0690731542669818], [-0.2979057628669483, 3.831648119594855, -1.0708611999176758], [-0.01636097684972269, -0.015873435726408397, 7.378552389023071]], "pbc": [true, true, true],... | 3.068673 | 3.362179 | [
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0.03872616... | 6 | 6 | 0.451503 | 0.89843 | 0.623149 | 0.865876 | mattergen | mattergen_base |
mtgn_6223477_ | Hf1 Mg1 Pd2 | Hf1 Mg1 Pd2 | P4/mmm | 123 | -0.00004 | 2026-02-10 14:02:37 | 1,064 | 3.625391 | 3.637327 | 2.714088 | 0.011937 | 0.923239 | 0.911303 | 0.923239 | -24.74731 | 0.940616 | 0.938643 | 2.146596 | -24.786724 | 0.008072 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2687091422737824, -0.0007664062302788, 0.0038101631581029], [0.0008847082387538, 3.270655033142494, 0.0014717966915799], [-0.0064058420406494, -0.002944069137786, 6.352352081212981]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.192067112493058, -0.001032200401736247, 0.001972987210488535], [0.0005859806862993962, 3.1922459246718202, 0.0011394455548319063], [-0.007046289280521716, -0.004166783141243834, 6.875044782524076]], "pbc": [true, true... | 1.341951 | 2.146596 | [
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-0.0128720... | 6 | 6 | 0.227059 | 1.819977 | 0.218174 | 1.86174 | mattergen | mattergen_base |
mtgn_3603031_Y1Co2B2 | Y1 Co2 B2 | Y2 Co4 B4 | I4/mmm | 139 | -0.000013 | 2026-02-10 14:12:50 | 1,064 | 3.391214 | 3.371586 | 2.739566 | 0.019628 | 0.63202 | 0.651648 | 0.651648 | -36.720666 | 3.58242 | 3.600457 | 3.287875 | -36.837128 | 0.012585 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.316441004757543, 0.0052313456243825, -1.1782449029156896], [-0.4190632019765366, 3.2905217456709948, -1.1763113691290825], [-0.003302312362878, -0.0067302630483629, 5.240991618232879]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.346534644411284, 0.0029475867009569148, -1.1897103371771793], [-0.42521605442040594, 3.3202129228849366, -1.187863452840821], [0.01804529405688462, 0.017311319538836505, 5.352361067775328]], "pbc": [true, true, true],... | 3.490251 | 3.600457 | [
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0.10648290... | 6 | 6 | 0.717873 | 0.156792 | 0.765602 | 0.126898 | mattergen | mattergen_base |
mtgn_6141844_ | Ca1 Si2 Ir1 Os1 | Ca2 Si4 Ir2 Os2 | I-4m2 | 119 | -0.000005 | 2026-02-10 15:22:46 | 1,064 | 4.07637 | 4.095606 | 3.89305 | 0.019236 | 0.202557 | 0.18332 | 0.202557 | -36.544321 | 2.005191 | 1.973725 | 1.713194 | -36.657036 | 0.003153 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.870968007665321, 2.18245945287e-05, -1.493567312475012], [-0.5765139104030669, 3.828097215562179, -1.4928134559236994], [-0.0376799374157905, -0.0448215025165428, 5.6487647770452085]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.88914211559602, -0.0007509770665438758, -1.5030122024514407], [-0.5799118924709774, 3.8449835329198785, -1.5020645555105403], [-0.01736577907417419, -0.020944696223344213, 5.7376218066551]], "pbc": [true, true, true],... | 1.89737 | 2.005191 | [
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0.0058749213... | 6 | 6 | 0.175381 | 0.254658 | 0.15116 | 0.238758 | mattergen | mattergen_base |
mtgn_6094179_ | Y1 Fe1 Co1 Si2 | Y2 Fe2 Co2 Si4 | I-4m2 | 119 | -0.000001 | 2026-02-10 15:18:41 | 1,064 | 4.992317 | 4.904246 | 3.926376 | 0.08807 | 0.977871 | 1.065941 | 1.065941 | -36.408683 | 2.92199 | 2.908184 | 2.269103 | -36.706627 | 0.003313 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.640660587676532, -0.0024867279628669, -1.3671618966766554], [-0.5125748480444225, 3.6043306751370383, -1.367207443921743], [-0.0228813588374461, -0.0262167822397743, 5.49239483647511]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.67791120817087, -0.0005091277732763279, -1.378035572136877], [-0.5158595167722229, 3.6417533813634204, -1.3781441576339895], [-0.013218340245428792, -0.015185247297588184, 5.562429219505301]], "pbc": [true, true, true... | 2.699759 | 2.92199 | [
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0.04066075... | 6 | 6 | 0.176234 | 1.182059 | 0.186878 | 1.186642 | mattergen | mattergen_base |
mtgn_3539484_Pr2C1Cl1 | Pr2 C1 Cl1 | Pr6 C3 Cl3 | R-3m | 166 | -0.000003 | 2026-02-10 16:48:49 | 1,064 | 3.547508 | 3.581748 | 2.320921 | 0.03424 | 1.260827 | 1.226587 | 1.260827 | -28.179939 | 1.646212 | 1.648581 | 1.344832 | -24.597059 | 0.006563 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5393410432657872, -0.0018262458330891, -0.9237971735502296], [-1.8914169847588886, 3.1337273164270134, -0.0032799221915739], [0.0209693575773097, 0.0174930155102388, 7.337598910573341]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6995397884796826, -0.00030029365192477174, -0.9643314297144546], [-1.9758969147266308, 3.2735832636278004, -0.004551423840766546], [-0.007542092928111733, -0.002231056703449914, 7.54656336938784]], "pbc": [true, true,... | 1.546542 | 1.648581 | [
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0.0610076533... | 6 | 6 | 0.210474 | 2.171635 | 0.163001 | 2.764007 | mattergen | mattergen_base |
mtgn_5574860_Sc3PbN | Sc3 Pb1 N1 | Sc3 Pb1 N1 | Pm-3m | 221 | -0 | 2026-02-10 16:45:49 | 1,064 | 4.89759 | 4.897951 | 4.89816 | 0.000361 | 0.000208 | 0.00057 | 0.00057 | -35.738009 | 2.945469 | 2.945323 | 2.945075 | -36.237972 | 0.000124 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.434427416724276, -0.0006600551708272, 0.002100752051164], [0.0008795649806704, 4.434508179334625, 0.0009209305485983], [-0.0018244254437887, -0.0006818109909261, 4.434587821180269]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.50168512559567, -0.00047174857577927465, 0.0027845137348681374], [0.0010910847204155317, 4.500792506209488, 0.001136093838716163], [-0.001200297671376072, -0.000491029024428819, 4.5021827292851055]], "pbc": [true, tru... | 2.945289 | 2.945469 | [
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0.14501146... | 6 | 6 | 0.76245 | 2.19349 | 0.731604 | 1.970115 | mattergen | space_group |
mtgn_2852302_Lu2Bi1O2 | Lu2 Bi1 O2 | Lu4 Bi2 O4 | I4/mmm | 139 | -0.000004 | 2026-02-10 16:42:47 | 1,064 | 2.662931 | 2.665297 | 2.884753 | 0.002366 | 0.219456 | 0.221822 | 0.221822 | -35.687963 | 0.024559 | 0.024669 | 0.037421 | -36.341232 | 0.006907 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6649276645255067, 0.0007772737291397, -1.0235111672149795], [-0.285806063246878, 3.6565644975082283, -1.0240108864041075], [0.0131662354628906, 0.0115294558559978, 7.116542846596319]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6466222756830886, 0.0002999399620110656, -1.0185894701050304], [-0.2848116742140881, 3.6365557195237033, -1.018948219858332], [0.0431255714698607, 0.04420492036871516, 7.189834508694244]], "pbc": [true, true, true], "... | 0.028883 | 0.037421 | [
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-0.04... | 6 | 6 | 0.164224 | 1.003126 | 0.16611 | 1.023962 | mattergen | mattergen_base |
mtgn_4147472_LaFeCoP2 | La1 Fe1 Co1 P2 | La2 Fe2 Co2 P4 | I-4m2 | 119 | -0.000005 | 2026-02-10 16:35:01 | 1,064 | 4.948947 | 4.956654 | 3.991664 | 0.007708 | 0.964991 | 0.957283 | 0.964991 | -35.988544 | 3.003094 | 2.984765 | 2.693952 | -36.299072 | 0.00588 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5395229247267963, 0.0049899723435356, -1.128584654618659], [-0.3634484881855786, 3.521735342733815, -1.125877199299323], [0.0152777927549732, 0.0122170766628894, 6.183303916518615]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5846714423255563, 0.005568674372692662, -1.140555827335784], [-0.3676676331174711, 3.5667173911004006, -1.13811887494051], [0.01438213683919791, 0.010635689551404306, 6.245371815033074]], "pbc": [true, true, true], "a... | 2.893937 | 3.003094 | [
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0.1333075201766... | 6 | 6 | 0.24856 | 0.893823 | 0.260332 | 0.963091 | mattergen | mattergen_base |
mtgn_6013820_ | Pr1 As2 Ru2 | Pr2 As4 Ru4 | I4/mmm | 139 | -0.000012 | 2026-02-10 16:34:48 | 1,064 | 4.470243 | 4.465346 | 4.528968 | 0.004897 | 0.063622 | 0.058725 | 0.063622 | -37.954844 | 2.707392 | 2.749966 | 3.417799 | -36.301231 | 0.008564 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8985630785593473, 0.0014674590520894, -1.4497929690785751], [-0.538920303067928, 3.862264320685129, -1.4467108598948697], [-0.0189191342365635, -0.0249554156919218, 5.907163058008782]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9615324948392034, 0.0006896815528968209, -1.4746097212293825], [-0.5484708561287278, 3.924813375989137, -1.4716136038048289], [-0.014077227681471276, -0.019674124513759758, 6.022230398040697]], "pbc": [true, true, tru... | 2.958386 | 3.417799 | [
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0.038608049879... | 6 | 6 | 0.132859 | 0.238274 | 0.117096 | 0.274707 | mattergen | mattergen_base |
mtgn_4147598_RbP2OsRh | Rb1 P2 Os1 Rh1 | Rb2 P4 Os2 Rh2 | I-4m2 | 119 | -0.000002 | 2026-02-11 13:39:01 | 1,064 | 4.036137 | 4.028176 | 3.413464 | 0.007961 | 0.614713 | 0.622674 | 0.622674 | -33.320336 | 0.474872 | 0.473713 | 0.190877 | -33.157104 | 0.007143 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8294789990082383, -0.0055144595563806, -1.049638029080022], [-0.2813885847867028, 3.820796967033322, -1.0454873778960878], [-0.0618484235028652, -0.0736832317081524, 7.28690337844224]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8839975140297747, -0.005263523535071019, -1.0643039106151906], [-0.2849684659897735, 3.8745422738663073, -1.0597361982428162], [-0.09690599397656126, -0.11060952942252493, 7.264219902652637]], "pbc": [true, true, true... | 0.379821 | 0.474872 | [
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0.0350448... | 6 | 6 | 0.965396 | 0.220704 | 0.964293 | 0.227573 | mattergen | mattergen_base |
mtgn_6078980_ | Ca1 As2 Ru2 | Ca2 As4 Ru4 | I4/mmm | 139 | -0.000005 | 2026-02-11 13:57:49 | 1,064 | 4.325751 | 4.304246 | 3.642919 | 0.021505 | 0.661327 | 0.682832 | 0.682832 | -32.911573 | 1.646396 | 1.593496 | 1.751302 | -33.095207 | 0.005331 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9124649277354524, -0.0025362872051925, -1.4618849809800052], [-0.5417278662363975, 3.874263753060778, -1.4613009339851457], [-0.0253876626231405, -0.0301800148951332, 5.95589947982536]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.958140261212437, -0.0005626382309239377, -1.4710314954262842], [-0.5459542690554017, 3.918868371212459, -1.4701383458236637], [-0.022247933112795274, -0.026109386441791907, 6.002263152540949]], "pbc": [true, true, tru... | 1.663731 | 1.751302 | [
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0.03202106553... | 6 | 6 | 0.227296 | 0.196736 | 0.177666 | 0.18756 | mattergen | mattergen_base |
mtgn_6020749_ | Sr1 Fe2 P2 | Sr2 Fe4 P4 | I4/mmm | 139 | -0.000004 | 2026-02-11 12:30:58 | 1,064 | 4.422883 | 4.401552 | 3.627784 | 0.021331 | 0.773769 | 0.7951 | 0.7951 | -33.045384 | 2.349361 | 2.339629 | 2.361083 | -33.534359 | 0.006636 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.606996210631201, 0.00629526066127, -1.1733862305866956], [-0.3866338698229969, 3.5861154238893773, -1.1734602767419589], [0.0119470980871716, 0.0135657610269463, 6.183852752025418]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.637665463450746, 0.006270067886424465, -1.1814814466695425], [-0.3900750910474054, 3.616796329707462, -1.1817866680372582], [0.03370549029965954, 0.03744712393620256, 6.293175279849939]], "pbc": [true, true, true], "a... | 2.350025 | 2.361083 | [
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... | 6 | 6 | 0.235013 | 0.748294 | 0.243077 | 0.796308 | mattergen | mattergen_base |
mtgn_3345262_Sc1Si2Pd2 | Sc1 Si2 Pd2 | Sc2 Si4 Pd4 | I4/mmm | 139 | -0.000005 | 2026-02-11 19:13:45 | 1,064 | 3.988697 | 3.942394 | 3.837976 | 0.046303 | 0.104418 | 0.150721 | 0.150721 | -31.538557 | 3.368606 | 3.325593 | 3.28896 | -31.669949 | 0.008525 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6813067776773303, -0.0062830570602642, -1.3494298994726968], [-0.518464964592114, 3.6452601126676973, -1.3483179100830007], [0.0849135704875409, 0.0953467154476837, 5.7897669793599]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.773130362274828, 0.0017478923703169358, -1.4015296463443654], [-0.5233497698862352, 3.736476047519972, -1.4005490030486623], [0.00255619346000331, 0.00034991162762763054, 5.782173661019468]], "pbc": [true, true, true]... | 3.32772 | 3.368606 | [
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-0.0408346... | 6 | 6 | 0.178711 | 0.619119 | 0.206452 | 0.712885 | mattergen | mattergen_base |
mtgn_4215660_Y3CdO | Y3 Cd1 O1 | Y3 Cd1 O1 | Pm-3m | 221 | -0 | 2026-02-11 18:18:04 | 1,064 | 4.699278 | 4.698874 | 4.700158 | 0.000404 | 0.001284 | 0.00088 | 0.001284 | -31.74407 | 2.211382 | 2.210998 | 2.211873 | -31.910931 | 0.000125 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.751344777548511, -0.0004469130891359, 6.41725016003e-05], [0.0006708412770321, 4.751209278452346, 0.0004624798746136], [-9.7739535572e-06, -0.0002919452822155, 4.751558818921786]], "pbc": [true, true, true], "a": 4.75... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.808156813771396, -0.0002195610993137259, 6.032877964172124e-05], [0.0009115149285601295, 4.807718365460248, 0.0006155926318658908], [-1.453343601226193e-05, -0.0001479943165349324, 4.809987297193626]], "pbc": [true, t... | 2.211418 | 2.211873 | [
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-0.0... | 6 | 6 | 1.515357 | 2.90468 | 1.586402 | 2.906228 | mattergen | mattergen_base |
mtgn_3480925_Sr1As2Ir1Ru1 | Sr1 As2 Ir1 Ru1 | Sr2 As4 Ir2 Ru2 | I-4m2 | 119 | -0.000007 | 2026-02-11 15:39:44 | 1,064 | 5.096988 | 5.087172 | 3.498399 | 0.009816 | 1.588772 | 1.598588 | 1.598588 | -32.31734 | 0.981776 | 0.992329 | 2.181055 | -32.371235 | 0.005324 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.900912517755548, 0.0030433674261856, -1.2799108636185732], [-0.4222607811918537, 3.877936561451922, -1.2774920138582808], [0.0266047540172682, 0.0277732199783359, 6.562626225759202]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9409687366453, 9.663335820879124e-05, -1.302311456236396], [-0.42958147944878045, 3.918844881774269, -1.2999276372657969], [0.012227448414856991, 0.011625287995692152, 6.633108885886525]], "pbc": [true, true, true], "... | 1.385053 | 2.181055 | [
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0.0440674706720... | 6 | 6 | 0.707895 | 0.17533 | 0.638198 | 0.175978 | mattergen | mattergen_base |
mtgn_4175439_CaMnNiP2 | Ca1 Mn1 Ni1 P2 | Ca2 Mn2 Ni2 P4 | I-4m2 | 119 | -0.000005 | 2026-02-11 18:52:55 | 1,064 | 4.353708 | 4.347748 | 4.466102 | 0.00596 | 0.118355 | 0.112395 | 0.118355 | -31.11724 | 3.277678 | 3.251063 | 2.752702 | -31.793217 | 0.004918 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6027064688353043, -0.0158841851818858, -1.174151688671445], [-0.3624233809762283, 3.5858350855415724, -1.168143911503978], [-0.1690638676592111, -0.1946441964366285, 5.589347399579647]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.671278369933803, -0.01782520728305173, -1.1975798760388054], [-0.37101783268580785, 3.654639948072883, -1.191660021963188], [-0.2163519995434232, -0.24700863117147917, 5.566018186536455]], "pbc": [true, true, true], "... | 3.093814 | 3.277678 | [
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0.130487... | 6 | 6 | 0.172649 | 0.570813 | 0.194659 | 0.605227 | mattergen | mattergen_base |
mtgn_6222619_ | Sr1 Ni1 P2 Os1 | Sr2 Ni2 P4 Os2 | I-4m2 | 119 | -0 | 2026-02-11 13:26:15 | 1,064 | 4.248462 | 4.265083 | 3.328313 | 0.016621 | 0.936771 | 0.920149 | 0.936771 | -32.625557 | 2.581381 | 2.538766 | 2.100253 | -33.225487 | 0.017374 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6478923286694225, -0.0120366941735653, -1.097634440346996], [-0.3210639937563587, 3.6314912441456304, -1.1052509066399854], [-0.0205270565403398, -0.0097341292444455, 6.585885973788959]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7272529095597924, -0.010030388383522559, -1.1160617582653454], [-0.3261152996398347, 3.7119028303623613, -1.1248997364347657], [-0.0526412090260816, -0.04664197824496971, 6.591579099055779]], "pbc": [true, true, true]... | 2.4068 | 2.581381 | [
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0.09074746537... | 6 | 6 | 0.60362 | 0.351922 | 0.539447 | 0.373421 | mattergen | mattergen_base |
mtgn_5570036_InCo3C | In1 Co3 C1 | In1 Co3 C1 | Pm-3m | 221 | -0 | 2026-02-11 13:04:09 | 1,064 | 3.665823 | 3.665649 | 3.66599 | 0.000174 | 0.000342 | 0.000168 | 0.000342 | -32.877589 | 3.958416 | 3.957813 | 3.959367 | -33.305496 | 0.000255 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.794935041990341, 0.0020518632609914, -0.0014820428511291], [-0.0018036199605985, 3.7949398894125626, -0.0013283117461114], [0.0013284413951304, 0.0014047426798228, 3.7952535852469467]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.834760476950263, 0.0013994663345976441, -0.0018196025944773285], [-0.0024962168364175445, 3.8341422066155095, -0.001766621581948697], [0.001019896108908372, 0.0009940987135143597, 3.8340244439695894]], "pbc": [true, t... | 3.958532 | 3.959367 | [
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0.1098772818... | 6 | 6 | 0.839009 | 0.42993 | 0.892292 | 0.390381 | mattergen | space_group |
mtgn_2866970_Sr1As2Ru2 | Sr1 As2 Ru2 | Sr2 As4 Ru4 | I4/mmm | 139 | -0.000009 | 2026-02-11 15:04:06 | 1,064 | 4.849248 | 4.819433 | 3.94004 | 0.029816 | 0.879393 | 0.909208 | 0.909208 | -32.715223 | 2.146395 | 2.123071 | 2.138671 | -32.880028 | 0.005721 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9334342945912817, -0.0040902149895287, -1.3580861566033102], [-0.4678357104137627, 3.9072912480441495, -1.3543130049445882], [-0.0078435446367035, -0.0143931272866026, 6.396113692920641]], "pbc": [true, true, true], "... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.982876710714444, -0.00034567060585541224, -1.3704797013736905], [-0.46949621968257416, 3.956889892729762, -1.3653721284063138], [-0.016253066740060045, -0.021757515706567792, 6.4302539676957355]], "pbc": [true, true, ... | 2.136046 | 2.146395 | [
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0.028175024013... | 6 | 6 | 0.312733 | 0.177111 | 0.302784 | 0.172976 | mattergen | mattergen_base |
mtgn_6141450_ | Er1 Fe1 Si2 Ni1 | Er2 Fe2 Si4 Ni2 | I-4m2 | 119 | -0.000004 | 2026-02-11 13:43:04 | 1,064 | 4.42611 | 4.28331 | 3.517312 | 0.1428 | 0.765998 | 0.908798 | 0.908798 | -35.78041 | 4.481836 | 4.442651 | 3.994769 | -33.570129 | 0.002764 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5964779945544327, 0.0032915197216816, -1.3298961610296662], [-0.4934066034387081, 3.5631641134861316, -1.3260941313956593], [0.0159228016133394, 0.0142487084873394, 5.572725550541649]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6455731957548947, 0.0032289179160111185, -1.3478622708225472], [-0.5005131913033186, 3.6126042368766775, -1.344768895141798], [-0.009179027823547353, -0.01557315570824039, 5.57974252664629]], "pbc": [true, true, true]... | 4.306419 | 4.481836 | [
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0.0574488597... | 6 | 6 | 0.103172 | 1.281218 | 0.119979 | 1.324423 | mattergen | mattergen_base |
mtgn_6073811_ | Pr1 Si3 Rh1 | Pr2 Si6 Rh2 | I4mm | 107 | -0.000005 | 2026-02-11 17:12:04 | 1,064 | 5.661443 | 5.62338 | 4.611501 | 0.038063 | 1.011878 | 1.049942 | 1.049942 | -34.158514 | 2.617257 | 2.610823 | 2.843597 | -32.355186 | 0.004865 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.875141640261021, -0.0098975977227613, -1.521402576479067], [-0.61305302224781, 3.828209979509789, -1.5203634825611374], [0.0203561417312092, 0.0210963586696271, 5.706670934603799]], "pbc": [true, true, true], "a": 4.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9526179987130345, 0.0005747883096361292, -1.5575295231775304], [-0.6144402199000248, 3.9068415305560604, -1.5556560293689534], [0.005825493580033546, 0.005281238445401046, 5.804089947321989]], "pbc": [true, true, true... | 2.690559 | 2.843597 | [
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0.03179990152... | 6 | 6 | 0.190155 | 0.179814 | 0.19123 | 0.190116 | mattergen | mattergen_base |
mtgn_3665767_Mn1Ni1H1Rh2 | Mn1 Ni1 H1 Rh2 | Mn1 Ni1 H1 Rh2 | P4/mmm | 123 | -0.000001 | 2026-02-11 12:31:55 | 1,064 | 4.653868 | 5.020258 | 5.021135 | 0.36639 | 0.000877 | 0.367267 | 0.367267 | -32.793774 | 3.794929 | 4.127577 | 4.128499 | -33.519585 | 0.000269 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6545428495971772, -8.12490074011e-05, -0.0003621897958756], [2.5867027446e-06, 3.810459122584913, -0.0022817208311109], [0.0003166735217116, 0.0027630339530407, 3.8106411494283945]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.670283421625, -3.9411757632251206e-05, -0.00035501051336628417], [4.719420962947098e-05, 3.9022210214568926, -0.0030846614478532543], [0.00033244694536075276, 0.0020812597715675054, 3.9018827300452212]], "pbc": [true,... | 4.017002 | 4.128499 | [
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mtgn_5569744_Ti3HPb | Ti3 H1 Pb1 | Ti3 H1 Pb1 | Pm-3m | 221 | -0.000001 | 2026-02-11 18:25:37 | 1,064 | 4.118695 | 4.114575 | 4.116993 | 0.004121 | 0.002418 | 0.001702 | 0.004121 | -31.158747 | 3.777519 | 3.780136 | 3.778668 | -31.860136 | 0.000226 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.151435114435228, -0.0009632693464153, 0.0006125587303785], [0.0011039774605567, 4.150744086632973, -0.0014135773801508], [-0.0010159949428143, 0.0014228156594554, 4.151149381857562]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.21726567708537, -0.0007137646623271087, 0.001091771720509238], [0.0013860183806757834, 4.215854927543554, -0.0019001953843260887], [-0.0005624947953585775, 0.0009805416968481284, 4.216316438436218]], "pbc": [true, tru... | 3.778774 | 3.780136 | [
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mtgn_6238091_ | La1 Si3 Rh1 | La2 Si6 Rh2 | I4mm | 107 | -0.000001 | 2026-02-11 15:06:04 | 1,064 | 5.262567 | 5.12508 | 3.783819 | 0.137487 | 1.341261 | 1.478747 | 1.478747 | -32.616341 | 2.305235 | 2.357232 | 2.841071 | -32.705486 | 0.0031 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9391041753682012, -0.0007211703796041, -1.5753341630050264], [-0.630113529406074, 3.8885616616971657, -1.57508261774776], [0.0184940696257209, 0.0216422120089988, 5.754647663026509]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.964876536037873, -0.0004039883633772744, -1.5855651164716864], [-0.6340922858140647, 3.9128250126752335, -1.5857452993070458], [0.03212177036083793, 0.03700440358215499, 5.825781094098438]], "pbc": [true, true, true],... | 2.501179 | 2.841071 | [
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0.0113154765... | 6 | 6 | 0.211445 | 0.224837 | 0.202369 | 0.227522 | mattergen | mattergen_base |
mtgn_3564685_Ca1Fe1Co1P2 | Ca1 Fe1 Co1 P2 | Ca2 Fe2 Co2 P4 | I-4m2 | 119 | -0.000007 | 2026-02-11 15:09:06 | 1,064 | 4.503905 | 4.481031 | 3.497288 | 0.022874 | 0.983743 | 1.006617 | 1.006617 | -32.226845 | 2.836417 | 2.810079 | 2.244153 | -32.61454 | 0.012458 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5456594624944744, 0.0077956316576531, -1.267754935892242], [-0.4575939778897508, 3.516947216286828, -1.2644920278382834], [-0.0281429888868869, -0.0373408966296341, 5.500127237893076]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5924893589236606, 0.00620634349983115, -1.286180033134412], [-0.46520802595751914, 3.5637477226106355, -1.2825640595316272], [-0.016381497278709436, -0.023539863193179574, 5.6141514947368645]], "pbc": [true, true, tru... | 2.630216 | 2.836417 | [
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0.157239686496... | 6 | 6 | 0.121421 | 0.371021 | 0.131092 | 0.391011 | mattergen | mattergen_base |
mtgn_3345573_Ca1As2Ru1Rh1 | Ca1 As2 Ru1 Rh1 | Ca2 As4 Ru2 Rh2 | I-4m2 | 119 | -0.000004 | 2026-02-11 19:26:41 | 1,064 | 5.329716 | 5.349934 | 3.959286 | 0.020218 | 1.390649 | 1.37043 | 1.390649 | -31.313002 | 1.890945 | 1.852322 | 2.392957 | -31.528351 | 0.001683 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.849428317814399, 0.0063530749304638, -1.3711371258910163], [-0.4929984253009511, 3.8174784354761533, -1.3706429048138633], [0.0362149782882622, 0.0399779247468397, 6.145325478552062]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9280752960420893, 0.003117872549380761, -1.4057082512371413], [-0.5064551022463106, 3.8955477474751814, -1.4053306841077964], [-0.03652120190761615, -0.04309661456583151, 6.093963669403698]], "pbc": [true, true, true]... | 2.045408 | 2.392957 | [
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0.053737... | 6 | 6 | 0.434323 | 0.180894 | 0.435875 | 0.178422 | mattergen | mattergen_base |
mtgn_3315310_Eu1Ge3Pt1 | Eu1 Ge3 Pt1 | Eu2 Ge6 Pt2 | I4mm | 107 | -0.000007 | 2026-02-11 13:31:51 | 1,064 | 4.854987 | 4.893777 | 5.398613 | 0.038791 | 0.504836 | 0.543627 | 0.543627 | -33.190642 | 2.35219 | 2.32576 | 2.377231 | -33.254261 | 0.00507 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.131488515417435, -0.0014177821048665, -1.6703030419452929], [-0.6739162807864997, 4.0761462546643275, -1.669349735560175], [0.0031811498484049, 0.0036750873092882, 5.964375499219589]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.171912316243472, -0.000267802649678673, -1.6842443200594146], [-0.6796450957342426, 4.1166177793214755, -1.683983730232676], [0.011037938113205194, 0.011906134623768595, 6.033520605745548]], "pbc": [true, true, true],... | 2.351727 | 2.377231 | [
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0.0822885... | 6 | 6 | 0.976221 | 1.712831 | 0.984579 | 1.66217 | mattergen | mattergen_base |
mtgn_6163324_ | Y2 Er1 Tl1 N1 | Y2 Er1 Tl1 N1 | P4/mmm | 123 | -0 | 2026-02-11 14:30:09 | 1,064 | 5.086677 | 4.644878 | 4.643262 | 0.441799 | 0.001615 | 0.443415 | 0.443415 | -35.770008 | 1.211026 | 1.04527 | 1.046129 | -32.965382 | 0.000114 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.757861520519844, 0.0005662182641732, -0.0013341541773314], [-0.0008686090785157, 4.7828463196127595, -0.000294658809128], [0.0002771983486871, -0.0002299951803834, 4.782778753350402]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.77075822797114, 0.000599505719315109, -0.0009368563516343354], [-0.0008393731717819699, 4.827629726261239, -3.9472687836919716e-05], [0.0006862744599719782, 2.5959052670087584e-05, 4.827845641483438]], "pbc": [true, t... | 1.100808 | 1.211026 | [
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0.054330488... | 6 | 6 | 0.704006 | 3.395151 | 0.714932 | 3.324404 | mattergen | mattergen_base |
mtgn_5572142_Sc3ZnC | Sc3 Zn1 C1 | Sc3 Zn1 C1 | Pm-3m | 221 | -0 | 2026-02-11 19:00:04 | 1,064 | 4.214988 | 4.213966 | 4.214367 | 0.001022 | 0.0004 | 0.000621 | 0.001022 | -31.058704 | 1.97634 | 1.977223 | 1.976964 | -31.692022 | 0.000183 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.457644961050372, -0.001391056697588, 0.0033798832042949], [0.0015589145165186, 4.45745775608655, 0.0005396018480393], [-0.002630462616817, -0.0003132870457621, 4.4574947743165145]], "pbc": [true, true, true], "a": 4.4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.512619473173627, -0.0008734896247155326, 0.004303390072025083], [0.0021128769839197765, 4.512310021650965, 0.000611343103551538], [-0.0017811987241787266, -0.00025268346919665366, 4.512589988389535]], "pbc": [true, tr... | 1.976842 | 1.977223 | [
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0.066148... | 6 | 6 | 0.60908 | 2.182918 | 0.59 | 2.03343 | mattergen | space_group |
mtgn_3429581_Y3Cd1N1 | Y3 Cd1 N1 | Y3 Cd1 N1 | Pm-3m | 221 | -0 | 2026-02-11 14:40:05 | 1,064 | 3.44158 | 3.441567 | 3.441619 | 0.000013 | 0.000052 | 0.000039 | 0.000052 | -32.7689 | 2.139643 | 2.139622 | 2.139589 | -32.938961 | 0.000062 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.787320992018425, -0.0005696461089318, 0.0003373761502876], [0.000636413161755, 4.7873074679507726, 0.0009495503097904], [-0.0002410658045714, -0.0008449452146882, 4.787311400966247]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.84045139957172, -0.00041175273226689673, 0.0003871773135350963], [0.000807691199830487, 4.84049814205104, 0.001201575163133781], [-0.00019768906663428983, -0.0006128880092587424, 4.840546604084832]], "pbc": [true, tru... | 2.139618 | 2.139643 | [
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0.0108374... | 6 | 6 | 0.608184 | 3.203303 | 0.623295 | 3.154828 | mattergen | mattergen_base |
mtgn_4189833_CeAlSi2Rh | Ce1 Al1 Si2 Rh1 | Ce2 Al2 Si4 Rh2 | Imm2 | 44 | -0.000084 | 2026-02-11 18:19:43 | 1,064 | 4.795748 | 5.067285 | 4.512881 | 0.271537 | 0.554404 | 0.282867 | 0.554404 | -31.83339 | 3.775553 | 4.005755 | 3.781864 | -32.010818 | 0.007133 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.942307983363922, 0.0011287190863095, -1.5111419917460684], [-0.5499602018109159, 3.7704806511777105, -1.423866259427369], [-0.0103168958804731, 0.0269481064906259, 5.874204053756971]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.985050882920884, 0.0028246812760172836, -1.5268308694680122], [-0.5568880549044264, 3.8238334240957914, -1.4453769681374644], [-0.021060459225123587, 0.004813220998497063, 5.907405450456163]], "pbc": [true, true, true... | 3.85439 | 4.005755 | [
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0.040526782... | 6 | 6 | 0.191426 | 0.221341 | 0.210336 | 0.217047 | mattergen | mattergen_base |
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