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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mtgn_6064498_ | Sn4 Au2 | Sn8 Au4 | Fm-3m | 225 | -0.000111 | 2026-02-12 07:37:44 | 1,064 | 2.250592 | 2.225301 | 2.495765 | 0.025292 | 0.270464 | 0.245173 | 0.270464 | -22.45735 | 3.281869 | 3.365882 | 5.140247 | -23.302505 | 0.000352 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.703904887984129, -4.46121054692e-05, 0.0052070428215848], [1.5054993788e-06, 4.713998425951273, 0.0071901092224694], [0.0019283851922858, 0.0012085981685747, 6.828153794418538]], "pbc": [true, true, true], "a": 4.7039... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.81963893454362, -8.54513663355001e-06, 0.0034843666993062657], [3.817435495777631e-05, 4.822185634400391, 0.005416670457082944], [-0.0004814273647476676, -0.0012898737283922811, 6.835693646481763]], "pbc": [true, true... | 3.929333 | 5.140247 | [
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0.09821937... | 6 | 6 | 0.210457 | 3.261638 | 0.194447 | 3.296853 | mattergen | mattergen_base |
mtgn_6101774_ | As2 Au2 Se2 | As2 Au2 Se2 | P-1 | 2 | -0.003039 | 2026-02-12 07:47:02 | 1,064 | 4.388652 | 6.130827 | 6.106053 | 1.742175 | 0.024773 | 1.717402 | 1.742175 | -23.293438 | 1.545497 | 2.471869 | 4.524797 | -23.357653 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9476039594740047, 0.151986945637827, 1.3781836173030642], [1.7932881744316433, 5.633725962673297, -0.6559215917615188], [-0.2254113198869226, -0.1109892490655168, 5.9682092316053055]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4190339296110945, -0.11923048435149211, 1.5346278936198288], [1.6292191451728113, 5.72240866321836, -0.7611066406654688], [-0.007057492367575735, -0.2841844423999577, 5.999092893576122]], "pbc": [true, true, true], "a... | 2.847388 | 4.524797 | [
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0.0820512912595908... | 6 | 6 | 0.575069 | 0.2283 | 1.247947 | 0.336992 | mattergen | mattergen_base |
mtgn_3645536_Li2Ca1Ce1Sn2 | Li2 Ca1 Ce1 Sn2 | Li2 Ca1 Ce1 Sn2 | P-3m1 | 164 | -0.00002 | 2026-02-12 09:16:00 | 1,064 | 4.739475 | 4.739159 | 3.910308 | 0.000316 | 0.828851 | 0.829167 | 0.829167 | -22.67209 | 3.727965 | 3.728436 | 2.271279 | -23.191471 | 0.036744 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.786939535276016, 0.0005356321462515, -0.0010323115452841], [-2.3938101781034185, 4.145302828749344, 0.0006473299427183], [0.002197155302688, 0.0002922515790722, 7.423924383828848]], "pbc": [true, true, true], "a": 4.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.836787216974521, 0.0004758226211963457, -0.0012650235206147094], [-2.418794227619998, 4.1885578780846595, 0.0006251063847103613], [0.0018552917223370964, 4.068168784674774e-05, 7.420974086119402]], "pbc": [true, true,... | 3.24256 | 3.728436 | [
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0.0412... | 6 | 6 | 0.380604 | 1.376989 | 0.371936 | 1.368529 | mattergen | mattergen_base |
mtgn_1280543_Mg1Be4Pd1 | Mg1 Be4 Pd1 | Mg4 Be16 Pd4 | F-43m | 216 | -0.000007 | 2026-02-12 05:30:54 | 1,064 | 6.201675 | 6.200941 | 6.200114 | 0.000734 | 0.000828 | 0.001562 | 0.001562 | -23.601117 | 0.487521 | 0.487208 | 0.487039 | -23.537994 | 0.001169 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.799071167346732, 0.0020417662805331, 2.183188161906837], [1.268290210198497, 3.5796556739379666, 2.1854255173129595], [0.0078239184662883, 0.0026307701949971, 4.381780845562979]], "pbc": [true, true, true], "a": 4.381... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.856192721720575, 0.0016199033684052278, 2.213744534856358], [1.2865958582681658, 3.6326810550338675, 2.2166012088287164], [0.006315165500401358, 0.002236365888549596, 4.445938902357724]], "pbc": [true, true, true], "a... | 0.487256 | 0.487521 | [
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-0.1398... | 6 | 6 | -0.07039 | 0.663431 | -0.067776 | 0.626467 | mattergen | mattergen_base |
mtgn_725739_Cs1N1O3 | Cs1 N1 O3 | Cs3 N3 O9 | R3m | 160 | -0.000066 | 2026-02-12 09:19:20 | 1,064 | 1.650638 | 1.678513 | 1.594178 | 0.027875 | 0.084335 | 0.05646 | 0.084335 | -29.114819 | 0.002181 | 0.002383 | 0.001756 | -29.166828 | 0.004122 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.688531529170315, -0.0644417454583226, 1.1216430475266355], [0.862401083417497, 4.6152009117754185, 1.1223553862575781], [-0.0875612532869858, -0.0668626534260091, 4.817784412903862]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.744485129246824, 0.013381146886735676, 1.239083699153316], [0.9501531530350844, 4.64767086528854, 1.2382169661112854], [0.009881548817372531, 0.01121013338940891, 4.9106279038068275]], "pbc": [true, true, true], "a": ... | 0.002107 | 0.002383 | [
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-0.07720413... | 7 | 7 | 0.208512 | -0.007796 | 0.208181 | -0.006452 | mattergen | mattergen_base finetuned on dn and k_1064 (NOEMD) |
mtgn_3513147_Sr1Li2Ce1Ge2 | Sr1 Li2 Ce1 Ge2 | Sr1 Li2 Ce1 Ge2 | P-3m1 | 164 | -0.000084 | 2026-02-12 03:43:04 | 1,064 | 4.661868 | 4.661892 | 4.084841 | 0.000024 | 0.577051 | 0.577027 | 0.577051 | -23.805453 | 3.214967 | 3.215111 | 2.040153 | -23.915604 | 0.021966 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.555084869147209, 0.0045982461837481, -0.0035161934941986], [-2.281516146845848, 3.9425100210677515, -0.0021358197929106], [0.0059697377162196, 0.0075902922608117, 7.592670846746232]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.592638008269308, 0.0045773306497167415, -0.0037134683705045807], [-2.3003762961140857, 3.9751005392187873, -0.0020156951801647734], [0.005735336651005814, 0.007754950217481126, 7.653171017838556]], "pbc": [true, true,... | 2.82341 | 3.215111 | [
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0.0228... | 6 | 6 | 0.352155 | 1.839584 | 0.33925 | 1.806283 | mattergen | mattergen_base |
mtgn_6187334_ | Na2 Be2 P2 | Na2 Be2 P2 | P4/nmm | 129 | -0.000009 | 2026-02-12 05:12:15 | 1,064 | 3.153743 | 3.153092 | 2.885103 | 0.00065 | 0.267989 | 0.268639 | 0.268639 | -23.699413 | 0.022212 | 0.022185 | 0.014869 | -23.569002 | 0.006893 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7219118860434457, 0.0027032055799424, -0.0041787277180006], [-0.0031117275047478, 3.721229868730163, -0.0056011096180676], [0.0070403034065795, 0.0096344146642672, 6.5594451267193605]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7460169804475045, 0.0025215494552624385, -0.0048524284554614695], [-0.0033313242664567864, 3.746126335325039, -0.006223622482264293], [0.0061772271843392535, 0.008972795579024369, 6.806177536261791]], "pbc": [true, tr... | 0.019755 | 0.022212 | [
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0.01157205... | 6 | 6 | 0.175208 | 0.487242 | 0.164092 | 0.491298 | mattergen | mattergen_base |
mtgn_4166304_EuInBi2 | Eu1 In1 Bi2 | Eu1 In1 Bi2 | P4/mmm | 123 | -0.000004 | 2026-02-12 08:30:55 | 1,064 | 4.981705 | 4.748655 | 4.750575 | 0.23305 | 0.00192 | 0.23113 | 0.23305 | -22.538086 | 3.841586 | 5.052873 | 5.054104 | -22.610228 | 0.000145 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.71928193494309, -0.0002152229463205, 0.0009595594739394], [0.0005238188392476, 4.973877938138521, -0.0003415708056467], [-0.000678530389494, 0.0003607913728547, 4.974407535969965]], "pbc": [true, true, true], "a": 4.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.007211859855117, -0.00042748115306609605, 0.0007242434693606184], [0.0003215296138770433, 4.933733418790885, -0.0003414171654760837], [-0.0009364171254324822, 0.00035529525901319635, 4.933766686135009]], "pbc": [true,... | 4.649521 | 5.054104 | [
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mtgn_3156734_La2Pr1Al1N1 | La2 Pr1 Al1 N1 | La2 Pr1 Al1 N1 | P4/mmm | 123 | -0 | 2026-02-12 00:31:03 | 1,064 | 4.058706 | 3.968854 | 3.968915 | 0.089852 | 0.000061 | 0.089791 | 0.089852 | -32.144808 | 3.429911 | 3.468054 | 3.467951 | -30.469635 | 0.000281 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.8190552586750846, -0.0002464625513755, 0.0007010943829063], [5.10903070377e-05, 5.057205737657397, 0.002208536399075], [-0.001183680891355, 3.02226857766e-05, 5.0571768854737105]], "pbc": [true, true, true], "a": 4.81... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.085309742690527, -8.441847903368872e-05, 0.0014045351348353538], [0.00023238456067624033, 5.070810865394515, 0.001701026746555909], [-0.0005018431546371755, -0.0004829398582505247, 5.070559218998523]], "pbc": [true, t... | 3.455305 | 3.468054 | [
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-0.0... | 6 | 6 | 0.463562 | 3.97413 | 0.403349 | 4.01658 | mattergen | mattergen_base |
mtgn_6181074_ | Ca1 Nd1 Pt2 | Ca2 Nd2 Pt4 | Amm2 | 38 | -0.000002 | 2026-02-12 03:54:04 | 1,064 | 3.441012 | 4.406431 | 3.940872 | 0.965419 | 0.465559 | 0.49986 | 0.965419 | -25.723438 | 1.721906 | 2.221764 | 1.912242 | -23.017273 | 0.00971 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5958384474865897, -0.0029086458526071, -1.3110004497372543], [0.0083833450970033, 4.384276161932151, 0.0031389273231499], [0.0130532260725854, -0.0012238243536157, 5.671689314933903]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6931963684402445, -0.003808421601557079, -1.3394416776462847], [0.007226075755512939, 4.483308386245088, 0.002251276185606975], [-0.0048916905835379035, -0.0023998102789099863, 5.744395007934245]], "pbc": [true, true,... | 1.951971 | 2.221764 | [
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0.04485301... | 6 | 6 | 0.603128 | 3.557263 | 0.527564 | 3.452273 | mattergen | mattergen_base |
mtgn_6226876_ | Sr1 Si3 Ir1 | Sr2 Si6 Ir2 | I4mm | 107 | -0.000008 | 2026-02-12 03:23:17 | 1,064 | 4.89567 | 4.817706 | 4.552048 | 0.077964 | 0.265659 | 0.343623 | 0.343623 | -29.805563 | 2.912471 | 2.912506 | 2.687329 | -29.884348 | 0.008706 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.963833730541878, 0.000629826448039, -1.571455372380213], [-0.6309000114916108, 3.911101644815081, -1.577856827382504], [-0.0029923179880064, 0.0058445648294647, 5.790173097706961]], "pbc": [true, true, true], "a": 4.2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9901198214096385, 0.0044088883966368385, -1.5795970294237516], [-0.6315532754980918, 3.937534894895146, -1.5865217359067365], [0.017547712385370052, 0.029391476809849822, 5.872021115591705]], "pbc": [true, true, true]... | 2.837436 | 2.912506 | [
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0.0268930... | 6 | 6 | 0.186388 | 0.203268 | 0.191925 | 0.196072 | mattergen | mattergen_base |
mtgn_6174892_ | Li1 Mg1 Ga2 Pd2 | Li1 Mg1 Ga2 Pd2 | P-3m1 | 164 | -0.000067 | 2026-02-12 04:45:03 | 1,064 | 4.1268 | 4.142248 | 2.887254 | 0.015449 | 1.254994 | 1.239545 | 1.254994 | -23.368268 | 5.664607 | 5.667321 | 7.364159 | -23.641098 | 0.04395 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.363672358736006, -0.0102472810389621, 0.0033711102109634], [-2.1727365689114406, 3.784431531332339, 0.0118054690901678], [-0.0044493145215519, -0.0160459868550763, 5.286806734803658]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.434679765688658, -0.009840688584885843, 0.0028302530614386363], [-2.20759133988055, 3.8489400183234537, 0.014495937713391993], [-0.005286263687571264, -0.013449062284138344, 5.4360692333463465]], "pbc": [true, true, t... | 6.232029 | 7.364159 | [
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-0.0319552... | 6 | 6 | 0.402354 | 0.693722 | 0.283062 | 0.677828 | mattergen | mattergen_base |
mtgn_3389803_Pr1Al1Si2Pt1 | Pr1 Al1 Si2 Pt1 | Pr2 Al2 Si4 Pt2 | Imm2 | 44 | -0.003212 | 2026-02-12 04:39:58 | 1,064 | 4.936807 | 5.145498 | 4.564964 | 0.208691 | 0.580534 | 0.371843 | 0.580534 | -31.530171 | 3.250087 | 3.464368 | 3.242205 | -29.801826 | 0.008054 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.843927242762134, 0.0138030247751839, -1.4650372620522671], [-0.5794026787218186, 3.927875858062909, -1.5650235423865202], [0.0230101632532167, 0.0103057657345733, 5.877993710750314]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9491340983974847, 0.0011320857679903563, -1.4984366257791863], [-0.6059818925064829, 4.015952229602737, -1.5940136965071348], [-0.006242688876249412, -0.015195590503227677, 5.933484814067942]], "pbc": [true, true, tru... | 3.318887 | 3.464368 | [
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0.0567697... | 6 | 6 | 0.215887 | 0.38051 | 0.207032 | 0.422979 | mattergen | mattergen_base |
mtgn_6226253_ | La2 Pr1 Ga1 N1 | La2 Pr1 Ga1 N1 | P4/mmm | 123 | -0 | 2026-02-12 03:24:06 | 1,064 | 4.092552 | 4.108782 | 4.20793 | 0.016229 | 0.099149 | 0.115378 | 0.115378 | -31.634698 | 3.606783 | 3.583641 | 3.641315 | -30.081762 | 0.000208 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.033296289355351, 3.02659607883e-05, 0.0008615888510649], [-0.0009993611357593, 5.034288716029176, -0.0001847082662621], [-0.0009759514475204, 0.0001010737194892, 4.79683909880669]], "pbc": [true, true, true], "a": 5.0... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.052155394430022, 0.0005137757691113232, 0.0008828362565729499], [-0.000519846135598213, 5.0521384124291275, -0.00013731878121120428], [-0.0009997877299278207, 0.00015417039497842626, 5.0621674003562624]], "pbc": [true... | 3.61058 | 3.641315 | [
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-0.0197... | 6 | 6 | 0.560977 | 4.0779 | 0.497457 | 4.103994 | mattergen | mattergen_base |
mtgn_6228618_ | Be2 Pd1 Rh1 | Be2 Pd1 Rh1 | P4/mmm | 123 | -0.000011 | 2026-02-12 07:34:05 | 1,064 | 5.357497 | 5.357479 | 5.846874 | 0.000018 | 0.489395 | 0.489377 | 0.489395 | -22.586629 | 0.750714 | 0.750717 | 1.719457 | -22.619408 | 0.001355 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.773642532905366, -0.0071956927397397, 0.0047286893855617], [0.007082475048298, 2.773653324975667, 0.0038086787717473], [-0.0088102085669016, -0.0069421630731711, 5.493881594684318]], "pbc": [true, true, true], "a": 2.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.8128725507200265, -0.005068842490203475, 0.006035554926433999], [0.009410612259806635, 2.8125747011699875, 0.0048165704734083915], [-0.006524652345687389, -0.005198897946902365, 5.595615312743044]], "pbc": [true, true... | 1.07363 | 1.719457 | [
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-0.031480122... | 6 | 6 | 0.513171 | 0.226 | 0.455742 | 0.195141 | mattergen | mattergen_base |
mtgn_6078327_ | Pr1 Cd1 Cu4 | Pr4 Cd4 Cu16 | F-43m | 216 | -0.000002 | 2026-02-12 10:15:04 | 1,064 | 5.608849 | 5.601614 | 5.600548 | 0.007234 | 0.001067 | 0.008301 | 0.008301 | -23.182004 | 3.215865 | 3.217947 | 3.220176 | -23.182384 | 0.002054 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.408693952438323, 0.0035974293723148, 2.537774769789272], [1.4720354006566057, 4.153569683058432, 2.535630772761153], [0.0072719009391128, 0.0020313927324406, 5.085490644436991]], "pbc": [true, true, true], "a": 5.0869... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.497790188104832, 0.002297034331678224, 2.5865161951553066], [1.499025237910858, 4.241440957797128, 2.5868725692000427], [0.0038759702442215586, 0.0026856007342339395, 5.189314097692692]], "pbc": [true, true, true], "a... | 3.217996 | 3.220176 | [
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-0.12... | 6 | 6 | 0.391075 | 2.245274 | 0.366279 | 2.11934 | mattergen | mattergen_base |
mtgn_6023398_ | La2 Pr1 In1 N1 | La2 Pr1 In1 N1 | P4/mmm | 123 | -0 | 2026-02-12 03:45:10 | 1,064 | 4.095195 | 4.176842 | 4.190079 | 0.081647 | 0.013237 | 0.094884 | 0.094884 | -31.468378 | 3.284984 | 3.063594 | 3.049895 | -30.014763 | 0.000213 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.8807438480874055, -1.16503248599e-05, 4.4212323066e-05], [-0.0003228489431488, 5.104515247621865, -0.002209619672726], [0.000103981001352, 0.0018025029941165, 5.1044094960578485]], "pbc": [true, true, true], "a": 4.88... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.138271994812663, 0.00010127697072677771, -2.0070821671224637e-05], [-0.00019082667570668462, 5.114151412648414, -0.0027565725742631554], [1.0115871380219629e-05, 0.001263239193710298, 5.114789142630754]], "pbc": [true... | 3.132824 | 3.284984 | [
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mtgn_753371_Eu1Si2Au2 | Eu1 Si2 Au2 | Eu2 Si4 Au4 | I4/mmm | 139 | -0.000009 | 2026-02-12 00:10:04 | 1,064 | 4.238775 | 4.220607 | 4.196898 | 0.018168 | 0.023709 | 0.041877 | 0.041877 | -30.377333 | 1.838208 | 1.842342 | 2.61424 | -30.436977 | 0.000792 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.012742491407537, -0.0064697383873668, -1.5953627304687197], [-0.6420879101197188, 3.9613601184574594, -1.59447719718862], [0.0438809418906082, 0.0504014597541177, 5.9201327212552695]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.056528949704842, -0.001543456919739204, -1.618049809130161], [-0.6443357689631832, 4.006225948838443, -1.61759657780637], [0.041547030287265634, 0.04699922736545151, 5.99709802267005]], "pbc": [true, true, true], "a":... | 2.098263 | 2.61424 | [
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0.000... | 6 | 6 | 0.215764 | 1.139291 | 0.222145 | 1.210904 | mattergen | mattergen_base |
mtgn_3288248_Li2Cu2As2 | Li2 Cu2 As2 | Li2 Cu2 As2 | P4/nmm | 129 | -0.000004 | 2026-02-12 06:02:12 | 1,064 | 3.477556 | 3.482714 | 4.267777 | 0.005158 | 0.785064 | 0.790221 | 0.790221 | -22.851732 | 1.057352 | 1.058959 | 0.966241 | -23.501829 | 0.014184 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.801077531493321, 0.0005550293097043, -0.0007258120061777], [-0.0002629210873269, 3.8024018646234503, 0.0022770355810285], [0.0018409645945211, -0.0038095214243868, 6.097659596308268]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8586887336295144, 0.0007075698891659864, -0.0006181317994684408], [-0.0001227586188506475, 3.8600254524025135, 0.001806342344884781], [0.0020784814890648625, -0.0047315172664704015, 6.278164958978848]], "pbc": [true, ... | 1.027517 | 1.058959 | [
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0.01... | 6 | 6 | 0.269688 | 0.597204 | 0.243886 | 0.606649 | mattergen | mattergen_base |
mtgn_3593124_Lu3Bi1C1 | Lu3 Bi1 C1 | Lu3 Bi1 C1 | Pm-3m | 221 | -0.004354 | 2026-02-12 08:45:25 | 1,064 | 3.66133 | 3.662985 | 3.661469 | 0.001655 | 0.001517 | 0.000139 | 0.001655 | -29.043274 | 1.647434 | 1.646621 | 1.647317 | -29.264437 | 0.000114 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.755873335882773, 2.39117954249e-05, 0.0002537745546454], [0.0009049904990211, 4.75568339616924, -1.74137611476e-05], [0.0008178901356128, 0.0008297177393831, 4.755838972870497]], "pbc": [true, true, true], "a": 4.7558... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.794703718890964, -0.0002039170278902246, -0.00043861242880203225], [0.0006843626884350373, 4.794263537639432, -0.0006587242058519849], [0.00013010877722580255, 0.00019545924478148237, 4.795847668095692]], "pbc": [true... | 1.647124 | 1.647434 | [
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0.0327627... | 6 | 6 | 0.317022 | 1.310379 | 0.29951 | 1.264992 | mattergen | mattergen_base |
mtgn_3165135_La1Si3Pd1 | La1 Si3 Pd1 | La2 Si6 Pd2 | I4mm | 107 | -0.000008 | 2026-02-12 03:20:45 | 1,064 | 5.715878 | 5.705071 | 6.836832 | 0.010807 | 1.131761 | 1.120954 | 1.131761 | -29.964373 | 2.985727 | 2.966317 | 2.722825 | -29.912968 | 0.002498 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.004807852613533, 0.0018086188386417, -1.6435625599451975], [-0.6739603715298894, 3.948067183424816, -1.6438581392940466], [-0.0007614652716835, -0.0018159366163887, 5.7043927276346515]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.016571043271623, 0.0008992106455177603, -1.6477216670047419], [-0.6764627769282514, 3.9585633734435084, -1.6470961703955294], [0.025823442734732964, 0.031032385251201017, 5.783636754455169]], "pbc": [true, true, true]... | 2.891623 | 2.985727 | [
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mtgn_6151233_ | K1 P2 Rh2 | K2 P4 Rh4 | I4/mmm | 139 | -0.000002 | 2026-02-12 00:18:06 | 1,064 | 4.117226 | 4.12647 | 4.022549 | 0.009245 | 0.103921 | 0.094677 | 0.103921 | -30.12194 | 0.834773 | 0.836514 | 0.603324 | -30.316576 | 0.004272 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7534769787354194, 0.0007709047421885, -1.076878247599782], [-0.3086668073982267, 3.740607040771014, -1.076837927026975], [0.0011923119070841, -0.0013067423136057, 7.071174283961894]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7985950061211744, 0.00021695398168428538, -1.0900749527829416], [-0.3130088282135597, 3.7849312037495717, -1.0902809034705292], [-0.003666219556345456, -0.007091966489898619, 7.140867610826933]], "pbc": [true, true, t... | 0.758204 | 0.836514 | [
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0.04343031... | 6 | 6 | 0.822349 | 0.188742 | 0.813883 | 0.194035 | mattergen | mattergen_base |
mtgn_3541860_Y2Tl1Ni2 | Y2 Tl1 Ni2 | Y4 Tl2 Ni4 | Cmmm | 65 | -0.000005 | 2026-02-12 09:00:06 | 1,064 | 3.605582 | 3.792308 | 3.865007 | 0.186725 | 0.072699 | 0.259424 | 0.259424 | -28.334429 | 2.356083 | 2.752743 | 3.479451 | -29.171326 | 0.002447 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6554313736541153, -0.0070820370516367, 0.0054750619986891], [0.0087329843340889, 3.7037008318898788, -1.0008632802914084], [-0.0113146833957378, 0.0038020645302342, 7.399325943848911]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7205809581968756, -0.00768670664024743, 0.005208471955976676], [0.008507795692340543, 3.772663252573993, -1.0175272921817562], [-0.012166849027458642, -0.0166904191822598, 7.446494087284403]], "pbc": [true, true, true... | 2.862759 | 3.479451 | [
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0.02... | 6 | 6 | 0.941332 | 2.53893 | 1.003459 | 2.370888 | mattergen | mattergen_base |
mtgn_4055912_CaSi3Ir | Ca1 Si3 Ir1 | Ca2 Si6 Ir2 | I4mm | 107 | -0.000003 | 2026-02-12 00:09:19 | 1,064 | 4.239936 | 4.188414 | 4.391545 | 0.051522 | 0.20313 | 0.151609 | 0.20313 | -30.179939 | 3.17993 | 3.101985 | 2.407501 | -30.348541 | 0.015316 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8990291645610906, -0.0067586314722353, -1.5150993661637626], [-0.5893110691254871, 3.8544551913067155, -1.5145775370622578], [-0.0280012902263916, -0.033204453256071, 5.735896721379524]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9049948820937113, -0.0009909745627628508, -1.5126489383564856], [-0.5845196506737764, 3.861175669670655, -1.5121783300443246], [0.01357552178833487, 0.015050151718583567, 5.833573279723206]], "pbc": [true, true, true]... | 2.896472 | 3.17993 | [
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0.035081283... | 6 | 6 | 0.16993 | 0.155981 | 0.167812 | 0.1465 | mattergen | mattergen_base |
mtgn_3360109_Sr2Sb2Au2 | Sr2 Sb2 Au2 | Sr2 Sb2 Au2 | P6_3/mmc | 194 | -0.000001 | 2026-02-12 06:35:04 | 1,064 | 4.460655 | 4.459038 | 4.355834 | 0.001617 | 0.103204 | 0.104821 | 0.104821 | -23.321325 | 0.825013 | 0.825907 | 0.225146 | -23.438299 | 0.000366 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.730759534808487, -0.0024100532284574, -0.0001805765572631], [-2.3632027490947607, 4.098504623836636, 0.000852795232017], [-0.0005012224127844, -0.00089530353553, 8.690792739866207]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.7610327550169895, -0.0016812678148820862, 5.763102962993155e-05], [-2.3776804143419445, 4.12527730523921, 0.0006883546975152495], [-6.637853131638735e-05, -0.001015239011328202, 8.809516447572541]], "pbc": [true, true... | 0.625355 | 0.825907 | [
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0.0493... | 6 | 6 | 0.198713 | 0.581 | 0.169603 | 0.58846 | mattergen | mattergen_base |
mtgn_4108851_Y2InNi2 | Y2 In1 Ni2 | Y4 In2 Ni4 | Cmmm | 65 | -0.000015 | 2026-02-12 04:02:04 | 1,064 | 3.921676 | 4.042955 | 4.154189 | 0.121278 | 0.111234 | 0.232513 | 0.232513 | -29.018227 | 2.121873 | 2.84093 | 3.456355 | -29.856651 | 0.001109 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6568697536366996, 0.0115342402677117, -0.0005419825472021], [-0.0119965307490462, 3.695460927567238, -1.0159365131991762], [0.0004592994757702, 0.0242276031942278, 7.345352105734873]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7215850386394633, 0.011894862084515782, -0.0003302276162229283], [-0.012116345668000997, 3.762232289230436, -1.031873352265731], [0.0009820412525309917, -0.001386501599807873, 7.365947836803035]], "pbc": [true, true, ... | 2.806386 | 3.456355 | [
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0.0268... | 6 | 6 | 0.632504 | 2.046038 | 0.583421 | 1.912505 | mattergen | mattergen_base |
mtgn_727094_Rb1N1O3 | Rb1 N1 O3 | Rb3 N3 O9 | R3m | 160 | -0.000009 | 2026-02-12 08:31:17 | 1,064 | 1.638232 | 1.668894 | 1.573691 | 0.030661 | 0.095203 | 0.064541 | 0.095203 | -29.143557 | 0.002197 | 0.002427 | 0.001747 | -29.20018 | 0.004228 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.469750218438883, -0.0526872600654205, 1.085274306649576], [0.8410578342949571, 4.389582841917784, 1.0850301751278464], [-0.0665480656223946, -0.0532487189093226, 4.596456818807213]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.551295548290182, 0.03860643630640941, 1.2276807301208226], [0.9471090267249633, 4.459485306614472, 1.2267764539995725], [0.048741164660454604, 0.040062247465267875, 4.719972164917471]], "pbc": [true, true, true], "a":... | 0.002124 | 0.002427 | [
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mtgn_6135666_ | Sc2 Au2 | Sc1 Au1 | Pm-3m | 221 | -0.000003 | 2026-02-12 10:29:59 | 1,064 | 1.946243 | 1.871424 | 2.314048 | 0.074819 | 0.442624 | 0.367805 | 0.442624 | -22.04463 | 2.231247 | 2.254513 | 2.290812 | -22.42997 | 0.000189 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1146489001120745, 0.0018086681684441, 2.3727774998788775], [1.3692355940764787, 3.8806092649118002, 2.379970005136731], [0.0019657224884774, 0.0023201892860958, 4.7537601684806425]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.180191410880082, 0.0006539541620684513, 2.4086377300651653], [1.3905390705105667, 3.9419744448598992, 2.41488357235016], [0.001017157596282371, 0.0003669072614192432, 4.82730461263924]], "pbc": [true, true, true], "a"... | 2.258857 | 2.290812 | [
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0.0256494... | 6 | 6 | 0.091609 | 2.250786 | 0.06354 | 2.282014 | mattergen | mattergen_base |
mtgn_6137749_ | La1 Ge3 Rh1 | La2 Ge6 Rh2 | I4mm | 107 | -0.000002 | 2026-02-12 05:34:05 | 1,064 | 5.369159 | 5.212735 | 3.98107 | 0.156424 | 1.231665 | 1.388089 | 1.388089 | -29.476577 | 1.487067 | 1.499769 | 1.906887 | -29.708752 | 0.002496 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.107906666703847, -0.0054514195486294, -1.6280248460780498], [-0.6619207134116698, 4.0532556113282165, -1.628143219300571], [-0.0067751030816439, -0.0079052328742934, 5.944446106106501]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.136974394678121, 0.003323677586023088, -1.6445285176058564], [-0.6577797597885918, 4.083170196366759, -1.644328667997424], [-0.004464248168727905, -0.004722127529604699, 6.010688289017954]], "pbc": [true, true, true],... | 1.631241 | 1.906887 | [
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0.07674602... | 6 | 6 | 0.565458 | 1.052678 | 0.535887 | 1.023774 | mattergen | mattergen_base |
mtgn_6106879_ | Lu1 Si2 Pd2 | Lu2 Si4 Pd4 | I4/mmm | 139 | -0.000007 | 2026-02-12 01:29:43 | 1,064 | 3.713475 | 3.729439 | 3.055422 | 0.015964 | 0.674017 | 0.658053 | 0.674017 | -30.132868 | 2.508325 | 2.595055 | 2.692787 | -30.212078 | 0.007454 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.755173399918739, 0.000522286385742, -1.4172087215120854], [-0.5421793828011336, 3.717542045930915, -1.4135808824218534], [0.0745413980931445, 0.0805196617283154, 5.782303453595411]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.844204506618221, -0.0006594204688854002, -1.4657753356660788], [-0.5558783208540773, 3.8064694695838024, -1.461111179258149], [-0.0026722212341947302, -0.007215331593271605, 5.770386059623633]], "pbc": [true, true, tr... | 2.598722 | 2.692787 | [
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-0.048246... | 6 | 6 | 0.166419 | 0.53926 | 0.19294 | 0.632419 | mattergen | mattergen_base |
mtgn_3055900_Li1Y1Zn2Si2 | Li1 Y1 Zn2 Si2 | Li1 Y1 Zn2 Si2 | P-3m1 | 164 | -0.002752 | 2026-02-11 23:57:09 | 1,064 | 6.507038 | 6.520981 | 6.134875 | 0.013943 | 0.386106 | 0.372163 | 0.386106 | -23.984826 | 3.690642 | 3.695916 | 3.6749 | -24.384523 | 0.009058 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.148449902038846, 0.001220054995816, -0.0013757044949755], [-2.0751133138658324, 3.591499542061427, -0.0030164542361985], [0.0022338162097309, 0.0079994001288563, 6.659038947380427]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.223005833046764, 0.0008710725630926793, -0.0015372335168288714], [-2.112728379714758, 3.6562508493048345, -0.0031465255297658157], [0.0020416107919064333, 0.007839409838191194, 6.744478723637295]], "pbc": [true, true,... | 3.687153 | 3.695916 | [
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mtgn_6197178_ | Mn1 Zn1 Ni2 | Mn2 Zn2 Ni4 | I4/mmm | 139 | -0.00001 | 2026-02-12 07:37:19 | 1,064 | 4.397827 | 4.331801 | 4.301691 | 0.066026 | 0.03011 | 0.096136 | 0.096136 | -21.684365 | 3.3957 | 3.287917 | 2.365512 | -22.658237 | 0.000321 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3975539662599643, 0.0063829863677967, -1.6561132349288792], [-0.8081006157261988, 3.2993293850375864, -1.657753081495004], [-0.0500199426784788, -0.0619101280295182, 4.2108018069519915]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4673313545721314, 0.003004132730304128, -1.689907791763046], [-0.8280835623416843, 3.365864106696042, -1.6915403380185206], [-0.08644169870354279, -0.10835695258502248, 4.223788871321299]], "pbc": [true, true, true], ... | 3.016376 | 3.3957 | [
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0.00628... | 6 | 6 | 1.599281 | 0.685336 | 1.646286 | 0.633071 | mattergen | mattergen_base |
mtgn_6191005_ | Eu1 Cu2 Ge2 | Eu2 Cu4 Ge4 | I4/mmm | 139 | -0.000008 | 2026-02-12 05:28:15 | 1,064 | 3.054115 | 3.040974 | 2.635645 | 0.013141 | 0.405329 | 0.41847 | 0.41847 | -28.948492 | 2.348045 | 2.363371 | 3.660413 | -29.748304 | 0.000402 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.868628089344527, -0.0026846102082561, -1.4624421883967877], [-0.5530690184146091, 3.8290895178348427, -1.4626958556887149], [0.0078539967352225, 0.0094867086573158, 5.88341736718797]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9051784340286715, -0.0005485677439445502, -1.4741852279556789], [-0.5561544817702572, 3.865859480473954, -1.4744404811481548], [0.022381734947975664, 0.02625949536466201, 5.968832728885177]], "pbc": [true, true, true]... | 2.79061 | 3.660413 | [
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... | 6 | 6 | 0.448454 | 1.811166 | 0.416597 | 1.708646 | mattergen | mattergen_base |
mtgn_6091743_ | Rb1 Ge2 Ir2 | Rb2 Ge4 Ir4 | I4/mmm | 139 | -0.000002 | 2026-02-12 07:21:48 | 1,064 | 4.267241 | 4.303646 | 3.627317 | 0.036405 | 0.676329 | 0.639924 | 0.676329 | -28.86681 | 1.154142 | 1.16866 | 0.739679 | -29.355797 | 0.028873 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9026526238139523, -0.0025882661497839, -1.1825839860772063], [-0.3585827115051858, 3.8860241781410667, -1.1844831615638363], [0.0768034925504397, 0.0872356252411472, 7.329686815558274]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9136543254929084, -0.0004350407141149135, -1.1825169911438302], [-0.35741488816169986, 3.896384474564611, -1.1843254418886189], [0.265078427301619, 0.29399519288000414, 7.949247759243838]], "pbc": [true, true, true], ... | 1.020827 | 1.16866 | [
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-0.0184228... | 6 | 6 | 0.957925 | 0.541555 | 1.037513 | 0.473427 | mattergen | mattergen_base |
mtgn_4062045_Zn2AgPd3 | Zn2 Ag1 Pd3 | Zn2 Ag1 Pd3 | P4/mmm | 123 | -0.000003 | 2026-02-12 06:09:20 | 1,064 | 4.375766 | 4.37535 | 4.040077 | 0.000416 | 0.335273 | 0.335688 | 0.335688 | -23.079842 | 0.343837 | 0.34451 | 0.734182 | -23.475182 | 0.006447 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9718654234107458, -0.0136945263810351, 0.0071575760322445], [0.0133825281354752, 2.972728854139144, 0.0105010924386877], [-0.0237884798945681, -0.0343304650791791, 9.825759658444248]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.998436925088682, -0.0125970006203676, 0.007630032147093367], [0.01472124108872852, 2.999233412188792, 0.01113871704472475], [-0.023241086800039612, -0.03364597872687421, 10.161162768336457]], "pbc": [true, true, true]... | 0.474176 | 0.734182 | [
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0.034... | 6 | 6 | 0.464588 | 0.640966 | 0.462001 | 0.599867 | mattergen | mattergen_base |
mtgn_3383409_Sc2Ni1Ag1 | Sc2 Ni1 Ag1 | Sc2 Ni1 Ag1 | P4/mmm | 123 | -0.000016 | 2026-02-12 04:56:55 | 1,064 | 2.09994 | 2.100568 | 3.844345 | 0.000628 | 1.743778 | 1.744406 | 1.744406 | -22.119436 | 3.079017 | 3.078049 | 2.240355 | -22.840885 | 0.011795 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1175101328441395, 0.000798875357574, -0.0005626247776728], [-0.0008478718323382, 3.1176703784924023, -0.0001951316177582], [0.0014186137029918, 0.0002574729231008, 7.112245875840176]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2309453410525224, 0.0002187521090669955, -0.0011116148195760426], [-0.0014893977916508568, 3.2311138801820007, -0.00027571884145074366], [0.00038430615894200236, 9.212878134737533e-05, 6.9438758323901375]], "pbc": [tr... | 2.79914 | 3.079017 | [
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-0.01869... | 6 | 6 | 0.235927 | 2.631822 | 0.180396 | 2.543963 | mattergen | mattergen_base |
mtgn_4091908_CaSbAu | Ca2 Sb2 Au2 | Ca2 Sb2 Au2 | P6_3mc | 186 | -0.000086 | 2026-02-12 04:25:39 | 1,064 | 4.270735 | 4.270227 | 4.405256 | 0.000507 | 0.135029 | 0.134521 | 0.135029 | -23.444743 | 1.078737 | 1.077191 | 1.376401 | -23.662468 | 0.002297 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.683602943171479, -0.0017114764414749, 0.00025225263741], [-2.3410687530914243, 4.056606019061632, 0.0005878587933335], [1.5249544639e-05, -0.0006347966365447, 7.624447100276047]], "pbc": [true, true, true], "a": 4.683... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.730119604347428, -0.0009839772833861082, 0.00013694452854391874], [-2.363674658390183, 4.0976848502352246, 0.0004011276009468587], [-0.00018186129284782922, -0.001128007252158016, 7.814299289100089]], "pbc": [true, tr... | 1.177443 | 1.376401 | [
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0.0805793... | 6 | 6 | 0.053193 | 1.073747 | 0.013707 | 1.147321 | mattergen | mattergen_base |
mtgn_6087465_ | Lu2 Al1 Co2 | Lu4 Al2 Co4 | Immm | 71 | -0.000015 | 2026-02-12 08:41:13 | 1,064 | 4.146276 | 4.60122 | 4.334511 | 0.454944 | 0.266709 | 0.188235 | 0.454944 | -28.978391 | 3.384037 | 2.454979 | 2.779818 | -29.265293 | 0.004083 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.652695353585022, 0.0016136449003941, 1.4815863915988492], [1.1170359763716171, 4.431804332993078, 2.4994872712373812], [0.0197144627345165, -0.002197343173009, 5.209146174953593]], "pbc": [true, true, true], "a": 3.94... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6433589225451835, -0.0008337779399630005, 1.4754557115351294], [1.090428066457013, 4.530480444639525, 2.540351412751383], [-0.029326064271287096, 0.0020295794961989752, 5.308432545684396]], "pbc": [true, true, true], ... | 2.872945 | 3.384037 | [
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-0.021117697... | 6 | 6 | 0.430163 | 1.527586 | 0.39327 | 1.455292 | mattergen | mattergen_base |
mtgn_1030868_Cr1Ag1S2 | Cr1 Ag1 S2 | Cr3 Ag3 S6 | R-3m | 166 | -0.000002 | 2026-02-12 06:41:04 | 1,064 | 3.819331 | 3.806529 | 3.720732 | 0.012802 | 0.085796 | 0.098598 | 0.098598 | -22.415409 | 0.37428 | 0.368998 | 0.824529 | -22.724213 | 0.003009 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.444732738997072, -0.0025884502695765, 0.8156999211533988], [1.6291537374627947, 3.0349105246552917, 0.8152614772677382], [0.0394806756267158, 0.0243044729263306, 7.477501926554458]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.445493334857204, -0.0029681647271427346, 0.8152767249114855], [1.6290907869330853, 3.035696173653649, 0.8152127126751232], [0.01333773021781347, 0.009599195755285608, 7.584009632410425]], "pbc": [true, true, true], "a... | 0.522602 | 0.824529 | [
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0.031183... | 6 | 6 | 0.253007 | 0.202381 | 0.271175 | 0.201188 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_3069799_Zn1Co2Si1 | Zn1 Co2 Si1 | Zn1 Co2 Si1 | P4/mmm | 123 | -0.000004 | 2026-02-12 10:44:05 | 1,064 | 3.943117 | 3.944662 | 2.778882 | 0.001545 | 1.165781 | 1.164235 | 1.165781 | -22.033953 | 2.510273 | 2.509454 | 2.427217 | -22.41568 | 0.009979 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.687210877715789, -0.002531511572311, -0.0004161793161621], [0.0024957673732159, 2.6871157573163442, 0.0038106230300993], [0.000861210300427, -0.0084775365495798, 6.000385042735816]], "pbc": [true, true, true], "a": 2.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7119534918942434, -0.002284909261591307, -0.0003749371014996564], [0.0027888057237136854, 2.711964174313857, 0.003689090149498169], [0.0009889755234282769, -0.009061114443346289, 6.161121368225157]], "pbc": [true, tru... | 2.482315 | 2.510273 | [
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0.001068873902... | 6 | 6 | 0.670562 | 0.294806 | 0.666051 | 0.278384 | mattergen | mattergen_base |
mtgn_3338386_Na1Li2Pr1Sb2 | Na1 Li2 Pr1 Sb2 | Na1 Li2 Pr1 Sb2 | P-3m1 | 164 | -0.000013 | 2026-02-12 10:40:04 | 1,064 | 4.506825 | 4.508507 | 4.378192 | 0.001683 | 0.130315 | 0.128633 | 0.130315 | -24.596902 | 0.936413 | 0.93613 | 1.371993 | -22.959772 | 0.011685 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.639816366996874, -0.0130085574448698, 0.0031769425078785], [-2.30814936392661, 4.023070514355478, 0.0069344550095287], [-0.0040825554664161, -0.0190589288043679, 7.445427786728072]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.716903112670717, -0.012545778325165633, 0.0024363158046674114], [-2.3459032308344003, 4.0929489964305175, 0.00953934374170846], [-0.00539476764592504, -0.015432859801482032, 7.5380349214558535]], "pbc": [true, true, t... | 1.081512 | 1.371993 | [
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0.00550... | 6 | 6 | 0.175761 | 0.197745 | 0.163665 | 0.146392 | mattergen | mattergen_base |
mtgn_6160424_ | Pr2 Ag1 Ru1 | Pr2 Ag1 Ru1 | P4/mmm | 123 | -0.000005 | 2026-02-12 10:55:58 | 1,064 | 4.802234 | 4.802248 | 5.299012 | 0.000014 | 0.496764 | 0.496778 | 0.496778 | -26.105415 | 4.668035 | 4.668189 | 2.933518 | -22.532104 | 0.011042 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2340321933266423, 0.0001732242376401, 2.95373730476e-05], [-0.0004164751730304, 3.2341033966127912, -0.0006270841385229], [0.0012416776601764, 0.0015423856684656, 8.275198718996382]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.548547384009672, 0.00025870465124468156, -0.0002743189866368469], [-0.00038833513418444113, 3.548017509192887, -0.0007035362205729255], [0.0006451013884686004, 0.0015110559522152295, 7.876729206419644]], "pbc": [true,... | 4.089914 | 4.668189 | [
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-0.04713688... | 6 | 6 | 0.875012 | 3.011932 | 0.554853 | 2.977471 | mattergen | mattergen_base |
mtgn_4160024_Al4W | Al4 W1 | Al8 W2 | I4/m | 87 | -0.002741 | 2026-02-12 10:48:20 | 1,064 | 4.678478 | 5.939445 | 5.689416 | 1.260967 | 0.250029 | 1.010938 | 1.260967 | -28.495376 | 0.542174 | 1.011635 | 0.979872 | -28.75351 | 0.003584 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.306217076139743, 0.0034633672003027, 1.2841136768812451], [1.65477686107742, 4.604438519869601, 0.6572162955793656], [0.007371029958161, 0.0107302434379577, 4.931892776159717]], "pbc": [true, true, true], "a": 3.54683... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3760956398026445, -0.0010422954911608537, 1.3034231752924181], [1.6882011606916405, 4.607135857808693, 0.6547644223018335], [0.02900210411452077, -0.0022815295214301924, 4.9506673560715955]], "pbc": [true, true, true]... | 0.84456 | 1.011635 | [
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0.2212935463968... | 6 | 6 | 0.260373 | 0.877741 | 0.265852 | 0.918283 | mattergen | mattergen_base |
mtgn_3147942_Ce2Zn1Co2 | Ce2 Zn1 Co2 | Ce4 Zn2 Co4 | C2/m | 12 | -0.00164 | 2026-02-12 11:47:03 | 1,064 | 5.123196 | 5.118725 | 5.773013 | 0.004471 | 0.654288 | 0.649816 | 0.654288 | -28.349542 | 3.517462 | 3.551978 | 3.607406 | -28.741917 | 0.021786 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.925817764000448, -0.0078838995740166, -1.8115820383848167], [-1.221537662743798, 4.566297130419068, -2.6747330663173505], [-0.1175048492974152, 0.0401815690786042, 4.904000072232731]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.043805860200648, -0.009557015661925254, -1.8658302994859548], [-1.1905987215192777, 4.708979989526944, -2.6044283329175038], [-0.19401547213927872, 0.08948588606654734, 4.892324271731299]], "pbc": [true, true, true], ... | 3.558949 | 3.607406 | [
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0.03684876881487... | 6 | 6 | 0.605344 | 1.386854 | 0.592522 | 1.331897 | mattergen | mattergen_base |
mtgn_6050880_ | Na1 Li2 Nd1 Sb2 | Na1 Li2 Nd1 Sb2 | P-3m1 | 164 | -0.000009 | 2026-02-12 11:39:56 | 1,064 | 3.870555 | 3.870603 | 4.035672 | 0.000048 | 0.165069 | 0.165118 | 0.165118 | -25.751025 | 1.329396 | 1.329612 | 1.512697 | -22.93125 | 0.008748 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.658017246770273, 0.0017203395253031, -0.0034186693841111], [-2.330835364650903, 4.032997755863687, -0.0034160321710265], [0.0055860658741997, 0.0088503179362589, 7.425155044726576]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.707791564226334, 0.002740401938729997, -0.0029644079465246985], [-2.3548742487576226, 4.073996732060306, -0.0035043444177407994], [0.006435366822648536, 0.009305714926905203, 7.510340134719995]], "pbc": [true, true, t... | 1.390568 | 1.512697 | [
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-0.008... | 6 | 6 | 0.168559 | 0.205996 | 0.162272 | 0.168982 | mattergen | mattergen_base |
mtgn_6121399_ | Cs1 Co2 P2 | Cs2 Co4 P4 | I4/mmm | 139 | -0 | 2026-02-12 11:21:35 | 1,064 | 4.232726 | 4.234319 | 3.444843 | 0.001594 | 0.789476 | 0.787883 | 0.789476 | -28.605391 | 2.268538 | 2.264721 | 1.130284 | -28.668297 | 0.009096 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.561244832903177, -0.0008319853766012, -0.8699472406503654], [-0.2101673685367043, 3.5561783034015573, -0.8653639248588609], [-0.0007535992926718, -0.0100318490940244, 7.719247134001011]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6320228949444315, -0.0014190507216926705, -0.8887642041097532], [-0.21479426082240724, 3.627306595287255, -0.8835912569167794], [-0.026577377272943438, -0.036381866157880464, 7.780734517924775]], "pbc": [true, true, t... | 1.887848 | 2.268538 | [
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0.039299827... | 6 | 6 | 0.555155 | 0.085644 | 0.604503 | 0.086226 | mattergen | mattergen_base |
mtgn_6236353_ | Li1 Nd1 Si2 Rh1 | Li2 Nd2 Si4 Rh2 | I-4m2 | 119 | -0.000002 | 2026-02-12 11:07:47 | 1,064 | 3.658334 | 3.553719 | 3.585927 | 0.104615 | 0.032208 | 0.072407 | 0.104615 | -31.205867 | 4.106118 | 4.125242 | 4.00729 | -28.92778 | 0.009555 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.768010319841299, 0.0166634343656381, -1.4204983605141217], [-0.5348685516178356, 3.7420425363775514, -1.4406034395892324], [0.0773792917468324, 0.058232573524954, 5.8369286380338465]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8481483633831224, -9.340480260329299e-05, -1.462512015325039], [-0.5551990695639246, 3.8082122960311895, -1.462141819531949], [0.02603722886463853, 0.029474121042992785, 5.867441670427925]], "pbc": [true, true, true],... | 4.07955 | 4.125242 | [
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mtgn_6141288_ | Al2 Ru1 Au1 | Al2 Ru1 Au1 | P4/mmm | 123 | -0 | 2026-02-12 11:25:05 | 1,064 | 3.572607 | 3.541786 | 4.075278 | 0.030821 | 0.533491 | 0.502671 | 0.533491 | -22.158238 | 1.417116 | 1.406254 | 1.341823 | -22.376617 | 0.008424 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.137848901824008, 0.0023143165193253, -0.0011495919336733], [-0.0022762863308659, 3.134902749220831, 0.0002948692309369], [0.0020621505520244, -0.0003130413954548, 5.793151789647764]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1371682269796985, 0.002510604776340807, -0.0010807038812449086], [-0.002081258578412182, 3.137167726137339, 0.0002555783697959207], [0.002280421509867649, -0.0003915880351339697, 6.017188544141506]], "pbc": [true, tru... | 1.388398 | 1.417116 | [
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0.03939001904... | 6 | 6 | -0.088981 | 0.285004 | -0.141001 | 0.298775 | mattergen | mattergen_base |
mtgn_6011097_ | Ni4 Ge1 | Ni8 Ge2 | I4/m | 87 | -0.000344 | 2026-02-12 10:59:04 | 1,064 | 4.23971 | 4.047777 | 4.319006 | 0.191933 | 0.271229 | 0.079296 | 0.271229 | -27.301292 | 4.28856 | 4.047147 | 4.054012 | -28.752077 | 0.003332 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.247602088523165, 0.0012075006943137, 1.5198764502973436], [1.4201720777491338, 3.8773918617123484, 1.193808524112468], [-0.0216347775929106, -0.4761256515927906, 4.2763882766025745]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.2627312891449596, -0.0001063928133000151, 1.5241485810083264], [1.4243421043432094, 3.919769019378443, 1.1990048604405494], [-0.032379659442824435, -0.4825188164052743, 4.3115746904502075]], "pbc": [true, true, true],... | 4.129906 | 4.28856 | [
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0.0621016477... | 6 | 6 | 1.038435 | 0.430987 | 0.981982 | 0.400225 | mattergen | space_group |
mtgn_3172113_Na2Bi2Pd2 | Na2 Bi2 Pd2 | Na2 Bi2 Pd2 | P4/nmm | 129 | -0.000039 | 2026-02-12 11:34:59 | 1,064 | 1.662844 | 1.663637 | 1.745605 | 0.000794 | 0.081967 | 0.082761 | 0.082761 | -22.660966 | 1.889775 | 1.89272 | 2.704392 | -22.839111 | 0.019202 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.59434288324847, -0.0057511006323453, 0.0023976832480835], [0.0056816787087293, 4.5955638073795, 0.0014185812022357], [-6.82393636109e-05, -0.0009416292597437, 6.819689773586272]], "pbc": [true, true, true], "a": 4.594... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.679135584949188, -0.0077904671579285215, 0.002082671885889581], [0.0038526970250177947, 4.679791654216331, 0.0008791919828631397], [-0.000664905787589592, -0.0018320395902725098, 7.0637375448714534]], "pbc": [true, tr... | 2.162296 | 2.704392 | [
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-0.03350408... | 6 | 6 | 1.344323 | 1.703612 | 1.078226 | 1.662945 | mattergen | mattergen_base |
mtgn_4200569_Li2YMgSn2 | Li2 Y1 Mg1 Sn2 | Li2 Y1 Mg1 Sn2 | P-3m1 | 164 | -0.003088 | 2026-02-12 11:20:04 | 1,064 | 5.19676 | 5.196746 | 5.073986 | 0.000014 | 0.12276 | 0.122774 | 0.122774 | -22.379287 | 2.812387 | 2.812876 | 2.617429 | -22.902687 | 0.014132 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.649545997692838, -0.0020648028318007, 0.001569279973767], [-2.323040879989721, 4.02771264235247, 0.0013929068911254], [-0.0027625736799208, -0.0033029889242139, 6.880472573688818]], "pbc": [true, true, true], "a": 4.6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.671796171407413, -0.0022027064777914605, 0.001970832742018081], [-2.334268391331566, 4.046849315286849, 0.0010234324609784968], [-0.0021882064530486397, -0.0036170587065498926, 6.898763302869883]], "pbc": [true, true,... | 2.747564 | 2.812876 | [
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0.0307612058... | 6 | 6 | 0.405364 | 0.914912 | 0.391784 | 0.896317 | mattergen | mattergen_base |
mtgn_6223580_ | Li1 Ti1 Pd2 | Li1 Ti1 Pd2 | P4/mmm | 123 | -0.00002 | 2026-02-12 11:05:55 | 1,064 | 3.871553 | 3.923526 | 4.12439 | 0.051973 | 0.200864 | 0.252837 | 0.252837 | -22.158976 | 5.466966 | 5.47598 | 2.522458 | -22.404982 | 0.013252 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.954602157179492, 5.2558581317e-05, 0.0011936219999727], [-6.7350800482e-05, 2.96005452731729, 0.0003791825461479], [-0.0017713027702112, -0.0002812771256624, 6.25243354572201]], "pbc": [true, true, true], "a": 2.95460... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.9580655771863693, 5.954735475266229e-05, 0.001053591545138481], [-6.0816646262108805e-05, 2.95789828819765, 0.0002615549339626331], [-0.0022581990747531705, -0.000555816754209437, 6.728479557500264]], "pbc": [true, tr... | 4.488468 | 5.47598 | [
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-0.049829... | 6 | 6 | 0.193645 | 2.526551 | 0.175574 | 2.587811 | mattergen | mattergen_base |
mtgn_3485219_Y2Si1Br2 | Y2 Si1 Br2 | Y6 Si3 Br6 | R-3m | 166 | -0.000018 | 2026-02-12 11:45:01 | 1,064 | 1.8241 | 1.814267 | 3.088704 | 0.009833 | 1.274436 | 1.264603 | 1.274436 | -28.657934 | 2.360835 | 2.421418 | 0.309661 | -28.687346 | 0.046184 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0075051015589365, 0.0009553746705017, 0.7987480852295054], [1.924283970439343, 3.516571662796396, 0.7950117265639149], [0.061445291717875, 0.0411393192418346, 10.122879408421207]], "pbc": [true, true, true], "a": 4.08... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.049203462636483, 0.0007861200771096961, 0.8079829693263173], [1.9439997381467395, 3.552715756477785, 0.804951463568085], [-0.04385961346415571, -0.018356856777324633, 10.771539186272937]], "pbc": [true, true, true], "... | 1.697305 | 2.421418 | [
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-0.0431... | 6 | 6 | 0.166574 | 1.215103 | 0.157158 | 1.262837 | mattergen | mattergen_base |
mtgn_6025992_ | Mg1 Ti1 Pd2 | Mg1 Ti1 Pd2 | P4/mmm | 123 | -0.000047 | 2026-02-12 11:41:47 | 1,064 | 3.742309 | 3.752543 | 2.727763 | 0.010234 | 1.02478 | 1.014546 | 1.02478 | -22.114862 | 2.488731 | 2.528059 | 2.559588 | -22.37188 | 0.002451 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.047263925171632, 0.0002223201138938, 0.0013190730895875], [0.0003791259428727, 3.0418250291500897, 7.62582639574e-05], [-0.003082605000474, 0.0005017324851111, 6.679970131412051]], "pbc": [true, true, true], "a": 3.04... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.047695629110579, -9.689337136052132e-05, 0.0009171567936917655], [5.427634052508475e-05, 3.046492514312233, -8.220755643343596e-05], [-0.004066462385194287, 0.0003252744053504697, 6.9721238608060165]], "pbc": [true, t... | 2.525459 | 2.559588 | [
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-0.0448339... | 6 | 6 | 0.211666 | 1.688974 | 0.190764 | 1.646252 | mattergen | mattergen_base |
mtgn_6083935_ | Ca2 Br4 | Ca1 Br2 | P-3m1 | 164 | -0.000007 | 2026-02-12 11:29:05 | 1,064 | 1.888335 | 1.844968 | 1.888917 | 0.043367 | 0.043949 | 0.000582 | 0.043949 | -22.755183 | 0.00278 | 0.002547 | 0.002779 | -22.922127 | 0.039071 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.252499315425469, -0.0001937228195208, -2.57171425671e-05], [0.0002797439031955, 6.271140840133026, -0.0128626914535909], [0.0001387983153096, -0.0032540294653323, 7.364722882878345]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.3260278413123165, 0.00035836660102094356, -7.042964704301677e-05], [0.0012059972994716735, 6.823154707319468, -0.015665138713250506], [6.383797321859414e-05, -0.006625065495103717, 7.4894207693032575]], "pbc": [true, ... | 0.002702 | 0.00278 | [
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0.... | 6 | 6 | 0.038892 | 0.004481 | 0.02909 | 0.008518 | mattergen | mattergen_base |
mtgn_6091137_ | Sc2 Hg1 Pt1 | Sc2 Hg1 Pt1 | P4/mmm | 123 | -0.000007 | 2026-02-12 11:19:06 | 1,064 | 2.355116 | 2.354577 | 2.448094 | 0.00054 | 0.093517 | 0.092978 | 0.093517 | -21.969059 | 2.409372 | 2.4243 | 3.138401 | -22.390217 | 0.003291 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.240165227191105, 0.0006443303394189, -8.16976547043e-05], [-0.0006431106509671, 3.241035792068062, -0.0007571366090984], [-0.0007822697254776, 0.0014985688514181, 7.187872475383971]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3918590425597293, 0.0009880124728827789, 4.038458114231154e-05], [-0.00035979856697816796, 3.3916995337163724, -0.0003112531246467214], [-0.0005268693405102534, 0.0023996394663453346, 6.9541374892022665]], "pbc": [tru... | 2.657358 | 3.138401 | [
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0.02... | 6 | 6 | 1.568951 | 2.403034 | 1.438168 | 2.251927 | mattergen | mattergen_base |
mtgn_1297973_La1Co1Ge3 | La1 Co1 Ge3 | La2 Co2 Ge6 | I4mm | 107 | -0.000005 | 2026-02-12 11:12:43 | 1,064 | 5.766446 | 5.720915 | 5.50841 | 0.045531 | 0.212506 | 0.258037 | 0.258037 | -28.491279 | 2.940034 | 2.957088 | 2.430756 | -28.691509 | 0.003972 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.016204851677514, -0.0032409155714229, -1.604726851884885], [-0.6418784543134962, 3.964428579118289, -1.6044171939060028], [-0.0112260304222483, -0.0133379375130454, 5.796301543575954]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.049282388220783, -0.000854344694688109, -1.6191801293934738], [-0.6447230092149722, 3.9972401213915107, -1.6187179552405062], [-0.002753846831919531, -0.003175052882837229, 5.86995041544532]], "pbc": [true, true, true... | 2.77596 | 2.957088 | [
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0.09... | 6 | 6 | 0.679569 | 1.836927 | 0.659287 | 1.798242 | mattergen | mattergen_base |
mtgn_3602972_Ba1Ca1Sn2Au2 | Ba1 Ca1 Sn2 Au2 | Ba1 Ca1 Sn2 Au2 | P-3m1 | 164 | -0.000012 | 2026-02-12 12:02:06 | 1,064 | 5.855798 | 5.859972 | 3.926724 | 0.004174 | 1.933248 | 1.929074 | 1.933248 | -22.301983 | 2.494647 | 2.494167 | 1.159682 | -22.822128 | 0.008045 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.859406276959688, -0.0006222176062783, 0.000736435847754], [-2.429394009190241, 4.208731015782418, -0.0001233219781388], [-0.000634299046532, -0.0004870636907068, 7.901905357427461]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.869526925889512, -0.0007859239474332402, 0.0011044619288300944], [-2.4345943320753634, 4.2174687426565685, -0.00035699912867157013], [-9.499506167573167e-05, -0.0005984649224907598, 8.21479267916254]], "pbc": [true, t... | 2.049499 | 2.494647 | [
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0.0744843... | 6 | 6 | 0.370747 | 1.62795 | 0.346471 | 1.610905 | mattergen | mattergen_base |
mtgn_4036773_NbTlSe2 | Nb1 Tl1 Se2 | Nb1 Tl1 Se2 | P-6m2 | 187 | -0.000002 | 2026-02-12 12:05:55 | 1,064 | 4.088385 | 4.09462 | 2.504382 | 0.006235 | 1.590238 | 1.584003 | 1.590238 | -22.418856 | 1.17643 | 1.17746 | 1.850197 | -22.323694 | 0.016565 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.486191712554769, -5.81491109104e-05, -1.51381552936e-05], [-1.7425369605772194, 3.019510154186841, -0.0004054546560236], [-0.0003923117531405, 0.0010507044692323, 8.530741819418008]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.531894094265329, -0.0004724009522128109, -0.0005657099370180872], [-1.7657390166085853, 3.05817465879893, 0.00014377583507337895], [-0.0017441059278503692, 0.0018628877842852445, 8.863671958254143]], "pbc": [true, tru... | 1.401362 | 1.850197 | [
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0.0829... | 6 | 6 | 1.018023 | 0.678283 | 1.016383 | 0.732356 | mattergen | mattergen_base |
mtgn_635422_La2Co2I1 | La2 Co2 I1 | La6 Co6 I3 | R-3m | 166 | -0.000019 | 2026-02-12 11:54:55 | 1,064 | 4.852753 | 4.884835 | 4.12731 | 0.032082 | 0.757525 | 0.725443 | 0.757525 | -28.376061 | 2.880767 | 2.939782 | 1.253431 | -28.641819 | 0.007436 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9168538701148443, 0.0005338909576222, 0.8851050480724103], [1.856577816025171, 3.4493840440948933, 0.8844150730016292], [-0.0069875308005043, -0.003159403594111, 9.097799103172088]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.943470739280499, 0.0013493185428111018, 0.8935180185413334], [1.8699106753316264, 3.471845633122143, 0.8928154570258728], [-0.05227211088019172, -0.030188109851140135, 9.384414261064325]], "pbc": [true, true, true], "... | 2.357993 | 2.939782 | [
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mtgn_6026002_ | Co2 Se2 | Co2 Se2 | P4/nmm | 129 | -0.00019 | 2026-02-12 12:41:06 | 1,064 | 4.868717 | 4.871009 | 2.294989 | 0.002292 | 2.57602 | 2.573728 | 2.57602 | -22.066913 | 2.951137 | 2.949717 | 1.650901 | -22.279686 | 0.055957 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6308247372070586, -0.0025859269091537, 0.0077023282253056], [0.0025584494520226, 3.629901874880897, 0.0063747274806039], [-0.006680384451885, -0.0055301713790632, 5.192672966690406]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6551408758079824, -0.00246148606257112, 0.008569585061819573], [0.002717301904877898, 3.655818914800608, 0.008144901941477049], [-0.007100064441723102, -0.004559909828559461, 6.036207715123206]], "pbc": [true, true, t... | 2.517252 | 2.951137 | [
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0.07202824756210... | 6 | 6 | 0.300252 | 0.203368 | 0.299709 | 0.218123 | mattergen | mattergen_base |
mtgn_2863427_Lu2Te1As1 | Lu2 Te1 As1 | Lu6 Te3 As3 | R-3m | 166 | -0.00001 | 2026-02-12 12:36:17 | 1,064 | 3.889696 | 3.780695 | 5.257498 | 0.109001 | 1.476803 | 1.367802 | 1.476803 | -22.157169 | 0.549028 | 0.515805 | 1.211356 | -22.303751 | 0.001879 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9334228554707513, -0.0008141424185483, 1.1421738767774419], [1.7978972833092441, 3.497883225814152, 1.1425743836099829], [0.0187648257957177, 0.01034834574457, 7.224331711606936]], "pbc": [true, true, true], "a": 4.09... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.957678548431353, 0.0007064558833469312, 1.153632688847943], [1.810305640875679, 3.5192920551327047, 1.154159951449429], [0.019623248756861993, 0.011119395567129488, 7.294305831727603]], "pbc": [true, true, true], "a":... | 0.758729 | 1.211356 | [
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0.031724957... | 6 | 6 | -0.032558 | 0.192265 | -0.045612 | 0.209884 | mattergen | mattergen_base |
mtgn_3670750_Sr2Li2As2 | Sr2 Li2 As2 | Sr2 Li2 As2 | P4/nmm | 129 | -0.000006 | 2026-02-12 13:11:01 | 1,064 | 3.227504 | 3.227643 | 3.356427 | 0.00014 | 0.128784 | 0.128923 | 0.128923 | -22.553586 | 0.057273 | 0.057286 | 0.086044 | -22.674282 | 0.001344 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.432219774277572, -0.0028733598154191, 0.0028313340604489], [0.0029169997358719, 4.432281626307332, 0.0030823795253078], [-0.0042725618810745, -0.0057623791180314, 6.9669179570470465]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.469668457601109, -0.002821672661674951, 0.0029707491282485107], [0.0030182554545995356, 4.470651838694412, 0.0031683544659159265], [-0.0041794142945844335, -0.005779853145572885, 7.111753569351729]], "pbc": [true, tru... | 0.066868 | 0.086044 | [
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0.0582... | 1 | 1 | 0.260065 | 0.121783 | 0.261241 | 0.110302 | mattergen | mattergen_base |
mtgn_4166665_SbPbAu | Sb2 Pb2 Au2 | Sb2 Pb2 Au2 | P6_3mc | 186 | -0.001434 | 2026-02-12 12:44:05 | 1,064 | 5.537533 | 5.530147 | 7.618586 | 0.007385 | 2.088438 | 2.081053 | 2.088438 | -22.297341 | 4.050947 | 4.036909 | 4.332176 | -22.721096 | 0.006493 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.542839570046681, -0.0007638861348497, -0.000131204858605], [-2.2709514588807274, 3.935373287082242, -0.0004045533272185], [-0.0006523439205741, 0.0030231327571002, 9.35240565886126]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.589776098862948, -0.001000607310967201, -0.0003014616753030025], [-2.294613452058123, 3.974138245492389, -0.0016538484087971009], [-0.0009967913678447051, -5.1273072637626954e-05, 9.553091531984794]], "pbc": [true, tr... | 4.14001 | 4.332176 | [
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0.0282132... | 6 | 6 | 0.840547 | 1.765705 | 0.756075 | 1.84776 | mattergen | mattergen_base |
mtgn_6214588_ | Li1 La1 Si2 Pt1 | Li2 La2 Si4 Pt2 | I-4m2 | 119 | -0.000002 | 2026-02-12 13:30:46 | 1,064 | 3.493623 | 3.431842 | 3.802604 | 0.06178 | 0.370762 | 0.308981 | 0.370762 | -28.032768 | 3.165296 | 3.149737 | 2.729248 | -28.269238 | 0.008063 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8778574768691962, 0.000667157916943, -1.4737077668939798], [-0.5598627536024635, 3.838977010563424, -1.4690731418097578], [0.0122046212957182, 0.0064428331977701, 5.907065590511091]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9496303564501267, 0.003760907327613087, -1.4943692343349317], [-0.5674284480825484, 3.9102439223684455, -1.4903407207018957], [-0.019624086489262223, -0.03139906854657839, 5.905672383011566]], "pbc": [true, true, true... | 3.01476 | 3.165296 | [
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mtgn_6209642_ | La2 Si1 Cl1 | La6 Si3 Cl3 | R-3m | 166 | -0.000025 | 2026-02-12 13:24:16 | 1,064 | 2.898929 | 3.139794 | 3.397486 | 0.240866 | 0.257692 | 0.498558 | 0.498558 | -22.052397 | 1.521114 | 1.281565 | 1.252323 | -22.212639 | 0.001673 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.150618039819463, 0.0007451663905882, 1.2797697559218573], [1.8754487683047028, 3.7023315383196844, 1.2798199615933326], [0.0308444208376588, 0.0184310125974201, 7.25975752365403]], "pbc": [true, true, true], "a": 4.34... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.194308736633803, 0.0015969979217628396, 1.294307955610556], [1.8959057472104155, 3.7412435873305667, 1.294480364402501], [0.055916932985660125, 0.034077598925147244, 7.2619297252144035]], "pbc": [true, true, true], "a... | 1.351667 | 1.521114 | [
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-0.0... | 6 | 6 | 0.270173 | 2.584678 | 0.263437 | 2.648409 | mattergen | mattergen_base |
mtgn_4099027_MgSc2Co | Mg1 Sc2 Co1 | Mg1 Sc2 Co1 | P4/mmm | 123 | -0.00291 | 2026-02-12 12:58:05 | 1,064 | 4.015882 | 4.015847 | 4.413936 | 0.000034 | 0.398088 | 0.398054 | 0.398088 | -21.864789 | 3.100452 | 3.100392 | 2.85395 | -22.271557 | 0.019935 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.134468325997059, -0.0025402386135538, 0.0003105319479107], [0.0025122226093883, 3.134503641717199, 0.0009895174586655], [-0.0008901881542592, -0.0023260764558686, 7.544037911606708]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1327543202429697, -0.002850610739559671, 0.0004727852022259713], [0.0021992483030348255, 3.1329667336506173, 0.0013675703202092526], [-0.0005189971094699149, -0.0015201381813558282, 8.032732987006671]], "pbc": [true, ... | 3.018265 | 3.100452 | [
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mtgn_4150585_LiNdGe2Ir | Li1 Nd1 Ge2 Ir1 | Li2 Nd2 Ge4 Ir2 | I-4m2 | 119 | -0.000002 | 2026-02-12 13:25:16 | 1,064 | 3.536285 | 3.543347 | 3.393747 | 0.007062 | 0.149601 | 0.142539 | 0.149601 | -30.576859 | 3.962816 | 3.979147 | 3.785197 | -28.320141 | 0.004291 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8661654760090394, 0.0144461743146835, -1.4390392291874026], [-0.5198734934397249, 3.8301754826866703, -1.4424878410527575], [0.0361386645973662, 0.0433271640769754, 6.032152721621734]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9217345812533946, -0.0002922756996904739, -1.4569736924665126], [-0.5421159878316135, 3.8834084939932927, -1.46037742703278], [0.02075862220782159, 0.025781286362907472, 6.064834638667234]], "pbc": [true, true, true],... | 3.909053 | 3.979147 | [
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0.017972182... | 6 | 6 | 0.493182 | 1.426227 | 0.47435 | 1.47644 | mattergen | mattergen_base |
mtgn_6077665_ | Li2 In2 P2 | Li2 In2 P2 | P-3m1 | 164 | -0.000013 | 2026-02-12 12:49:16 | 1,064 | 3.609666 | 3.609708 | 3.73074 | 0.000042 | 0.121031 | 0.121073 | 0.121073 | -22.220039 | 0.050905 | 0.050932 | 0.08954 | -22.700657 | 0.009822 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.079554200140077, 0.001547121736407, -0.002622164363537], [2.0389968756962764, 3.533299673917954, -0.0003250056680974], [0.005895700663198, -0.0007942844039184, 8.698385903286992]], "pbc": [true, true, true], "a": 4.07... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.127384850784307, 0.0008771479484935715, -0.0025222446869814924], [2.0623070326712787, 3.574960351890661, -0.00026740658441721556], [0.0061631520076683355, -0.0007802655819972004, 8.69825042520432]], "pbc": [true, true... | 0.063792 | 0.08954 | [
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0.00520620... | 6 | 6 | 0.176577 | 0.291542 | 0.177198 | 0.290391 | mattergen | mattergen_base |
mtgn_680537_Li1Pr1Al2Ga2 | Li1 Pr1 Al2 Ga2 | Li1 Pr1 Al2 Ga2 | P-3m1 | 164 | -0.001322 | 2026-02-12 12:30:56 | 1,064 | 6.034854 | 6.047476 | 3.86958 | 0.012622 | 2.177895 | 2.165274 | 2.177895 | -24.111379 | 4.503406 | 4.503672 | 3.481372 | -22.836105 | 0.038273 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.376615543412374, -0.0017873821660284, 0.0002793334432896], [-2.187663630514962, 3.790675133944567, 0.003730014541191], [-0.0064965731921943, -0.0039380082278031, 6.83295286640119]], "pbc": [true, true, true], "a": 4.3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.392734155528564, -0.001632590438365735, 0.0018545949551655606], [-2.1955794051437034, 3.805174453440361, 0.0020073462913589796], [-0.004069789160381386, -0.005841087490904159, 7.046238392278837]], "pbc": [true, true, ... | 4.162817 | 4.503672 | [
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0.04885286678... | 6 | 6 | 0.189095 | 0.985581 | 0.17706 | 1.016182 | mattergen | mattergen_base |
mtgn_3348498_Li1Nd1Zn2Si2 | Li1 Nd1 Zn2 Si2 | Li1 Nd1 Zn2 Si2 | P-3m1 | 164 | -0.001101 | 2026-02-12 12:55:54 | 1,064 | 5.82692 | 5.827617 | 5.193595 | 0.000697 | 0.634022 | 0.633325 | 0.634022 | -25.197237 | 3.190751 | 3.189219 | 3.576203 | -22.720928 | 0.015249 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.166028425623448, 0.0003016482195811, 0.0001477462026388], [2.0824546248792664, 3.607828026654318, -1.5814518685e-05], [0.0005363278709924, -3.69681033642e-05, 6.823456318071843]], "pbc": [true, true, true], "a": 4.166... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.249369585753514, 4.326119530414208e-05, 0.00036979335427560293], [2.1238849968408373, 3.6802665977650393, 0.0002394708712317696], [0.0009032874340015105, 0.00023868623513914554, 6.982899549988598]], "pbc": [true, true... | 3.318725 | 3.576203 | [
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mtgn_2875679_La1Pr1P1I1 | La1 Pr1 P1 I1 | La3 Pr3 P3 I3 | R3m | 160 | -0.000047 | 2026-02-12 12:43:23 | 1,064 | 2.082407 | 2.061183 | 3.275444 | 0.021223 | 1.21426 | 1.193037 | 1.21426 | -23.971567 | 3.498788 | 3.551503 | 2.84537 | -22.332735 | 0.014994 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.062831309130335, 0.0017304915070367, 1.102360456991714], [1.8819042895590374, 3.6015654982296943, 1.102994070516744], [0.0226535689159881, 0.0164657384702109, 7.958062946794912]], "pbc": [true, true, true], "a": 4.209... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.11152551632504, -0.000417752191288938, 1.1138534682402301], [1.9028331202560311, 3.645427130950469, 1.113404874868987], [-0.012438809957969258, -0.0072216057021694206, 8.171372341576019]], "pbc": [true, true, true], "... | 3.298554 | 3.551503 | [
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0.04468678... | 6 | 6 | 0.212187 | 2.24259 | 0.221008 | 2.584482 | mattergen | mattergen_base |
mtgn_6160764_ | Ba2 N2 | Ba2 N2 | P-1 | 2 | -0.000006 | 2026-02-12 12:21:02 | 1,064 | 1.763877 | 1.622013 | 2.341522 | 0.141864 | 0.719509 | 0.577645 | 0.719509 | -22.224539 | 1.852907 | 2.346066 | 0.773322 | -22.305058 | 0.015049 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.507210657758181, 0.0412344900394625, 0.650658123048793], [1.6975320756573886, 3.6248349506176987, 0.7687139963767172], [0.0633934468596765, 0.0469827625708335, 7.4366500669377515]], "pbc": [true, true, true], "a": 4.5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.466108149068132, 0.11200512474813919, 0.5917581704403471], [1.725816455906986, 3.6837612862864133, 0.7872777889376736], [-0.04294266831420716, 0.12205368061093025, 7.503064448112998]], "pbc": [true, true, true], "a": ... | 1.657432 | 2.346066 | [
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0.04... | 6 | 6 | 0.183743 | 2.433915 | 0.187766 | 2.449634 | mattergen | mattergen_base |
mtgn_6170070_ | K1 As2 Rh2 | K2 As4 Rh4 | I4/mmm | 139 | -0 | 2026-02-12 14:02:06 | 1,064 | 4.301874 | 4.303744 | 4.199693 | 0.00187 | 0.10405 | 0.10218 | 0.10405 | -27.975989 | 0.977353 | 0.993786 | 1.27551 | -28.149273 | 0.005256 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8499658196436197, 0.0005997164217802, -1.1100646766794848], [-0.3199618940795118, 3.8364940420197713, -1.1133922706125083], [0.0023811173705555, 0.0040876166979357, 7.228025620923728]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.889162463245634, -0.0001710086861089634, -1.1212338826213792], [-0.3240582053811442, 3.875809748696311, -1.124819035121738], [0.016330740718273028, 0.018876270097020153, 7.348997790954603]], "pbc": [true, true, true],... | 1.082216 | 1.27551 | [
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0.04854988179... | 6 | 6 | 1.139051 | 0.198824 | 1.03211 | 0.201552 | mattergen | mattergen_base |
mtgn_629304_La1Si2Pd1Au1 | La1 Si2 Pd1 Au1 | La2 Si4 Pd2 Au2 | I-4m2 | 119 | -0.003031 | 2026-02-12 13:32:27 | 1,064 | 4.07211 | 4.013255 | 4.030513 | 0.058855 | 0.017257 | 0.041598 | 0.058855 | -28.156379 | 1.622955 | 1.652337 | 1.345077 | -28.275503 | 0.005818 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9574312818267243, -0.0050553115232345, -1.54232587142697], [-0.6080174933819503, 3.9104318617877483, -1.5412702818465898], [0.0389772794390899, 0.0440397193388346, 5.926566453191378]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.037435331916182, 2.4662192693678375e-05, -1.57652017187562], [-0.6149962203771597, 3.9900174952298983, -1.5749482589444612], [-0.0036862766348380936, -0.004957946305687735, 5.946200819610493]], "pbc": [true, true, tru... | 1.540123 | 1.652337 | [
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mtgn_2941953_Y2Cu2 | Y2 Cu2 | Y4 Cu4 | Cmcm | 63 | -0.000022 | 2026-02-12 14:02:09 | 1,064 | 3.730087 | 2.90973 | 4.873498 | 0.820356 | 1.963768 | 1.143411 | 1.963768 | -21.3137 | 5.194222 | 2.818285 | 4.928883 | -22.099466 | 0.002543 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.460042306560068, -0.0005083132752598, -1.2637796979992244], [0.0009691055181905, 4.452269377558981, 0.0009898819107711], [-0.007620585561284, -0.0012677878421221, 5.398297726833733]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.521693614911877, -0.0005750674832284396, -1.2782562450712687], [0.0006549882528140745, 4.457344517323448, 0.000328023918197559], [0.014180865394230337, -0.002102668527752137, 5.520304078583472]], "pbc": [true, true, t... | 4.313797 | 5.194222 | [
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mtgn_4061457_Zn3CuPt2 | Zn3 Cu1 Pt2 | Zn6 Cu2 Pt4 | C2/m | 12 | -0.00111 | 2026-02-12 14:01:07 | 1,064 | 4.184236 | 3.84542 | 4.40826 | 0.338817 | 0.56284 | 0.224023 | 0.56284 | -21.679513 | 5.184769 | 4.552741 | 5.957487 | -22.613293 | 0.007581 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9147671212709403, 0.0079347494517509, -0.007399149592412], [-1.95720025786373, 3.9623872189932765, -1.0315953212228977], [-0.0064433909847044, -0.1567948276697655, 5.2804982784048855]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9395275717700486, 0.004902338805684465, -0.0012595209817028036], [-1.9742962478496335, 4.031913893622174, -0.9835908339828212], [0.0020281565481902685, -0.06660882174220116, 5.374616957458501]], "pbc": [true, true, tr... | 5.231666 | 5.957487 | [
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0.03256118... | 6 | 6 | 0.995229 | 2.213668 | 1.08066 | 2.141857 | mattergen | mattergen_base |
mtgn_3612157_Lu1Cu4Hg1 | Lu1 Cu4 Hg1 | Lu4 Cu16 Hg4 | F-43m | 216 | -0.000006 | 2026-02-12 13:32:53 | 1,064 | 1.347366 | 1.345745 | 1.347966 | 0.00162 | 0.002221 | 0.0006 | 0.002221 | -20.801373 | 10.398663 | 10.359055 | 10.426673 | -22.654179 | 0.000903 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.330062160899065, 0.0132643694562465, 2.4675162797833954], [1.4469762501178562, 4.080482588022605, 2.468778284857084], [0.0261098714201011, 0.0170062811578899, 4.983917560037643]], "pbc": [true, true, true], "a": 4.983... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.394718307224278, 0.012894757120482067, 2.502966854306234], [1.4678815009236073, 4.142645222812683, 2.5045313604195742], [0.024803865252952438, 0.01640878233876809, 5.0584975289560195]], "pbc": [true, true, true], "a":... | 10.394797 | 10.426673 | [
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mtgn_6094940_ | Er1 Be1 Si2 Ni1 | Er2 Be2 Si4 Ni2 | I-4m2 | 119 | -0.000005 | 2026-02-12 13:45:57 | 1,064 | 4.585916 | 4.519868 | 4.06073 | 0.066048 | 0.459139 | 0.525187 | 0.525187 | -30.971195 | 2.923581 | 2.979246 | 3.64091 | -28.271217 | 0.002107 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.567848545794655, -0.0034069390322041, -1.30341715604633], [-0.4708129761944851, 3.539456146311006, -1.2991149478093882], [0.0066566480182931, 0.0052849806738983, 5.563140001102763]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6272113579722656, -0.0033239408624150153, -1.3236569450142117], [-0.4790827688261856, 3.596682788807329, -1.3208566392153782], [-0.02216058303885014, -0.02995622415926125, 5.57058311136918]], "pbc": [true, true, true]... | 3.181246 | 3.64091 | [
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-0.008... | 6 | 6 | 0.090874 | 0.677837 | 0.090622 | 0.743329 | mattergen | mattergen_base |
mtgn_6035177_ | Tl2 P2 Au2 | Tl4 P4 Au4 | C2/m | 12 | -0 | 2026-02-12 14:04:00 | 1,064 | 3.393134 | 3.866964 | 4.169421 | 0.47383 | 0.302457 | 0.776287 | 0.776287 | -22.182608 | 1.640475 | 1.126504 | 1.103211 | -22.67732 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.697942462226915, 0.3044359639327953, -0.8337545299344045], [-2.102861009834598, 4.4865651630381365, -2.947422443527332], [-0.2777990351512294, -0.4401172074084998, 5.88154529744614]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.663838956949857, 0.5099662010536069, -1.1195540187135828], [-1.7885112325833, 4.669251428930172, -2.934183258233629], [-0.5565656393078497, -0.46305770842933114, 6.076228514770331]], "pbc": [true, true, true], "a": 5.... | 1.290063 | 1.640475 | [
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0.0347... | 6 | 6 | 0.142361 | 0.288608 | 0.138887 | 0.336424 | mattergen | mattergen_base |
mtgn_6117772_ | Cs1 Sb2 Ir2 | Cs2 Sb4 Ir4 | I4/mmm | 139 | -0.000004 | 2026-02-12 13:47:51 | 1,064 | 3.984393 | 3.982771 | 3.841377 | 0.001622 | 0.141394 | 0.143016 | 0.143016 | -28.301804 | 0.589651 | 0.58674 | 0.394689 | -28.223972 | 0.002627 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.039197263062677, 0.0244452279860421, -1.0288119756663487], [-0.2872031635175114, 4.028852406305891, -1.0318049742426574], [0.0141258216319969, 0.0203130975583142, 8.504912717650608]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.056509785770926, 0.021047541844547563, -1.03226969524118], [-0.29250745424453306, 4.049319421191377, -1.0374612693575163], [0.03346128315485263, 0.036653993025157795, 8.609666824708247]], "pbc": [true, true, true], "a... | 0.523693 | 0.589651 | [
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-0.04962... | 6 | 6 | 1.072804 | 0.244652 | 1.032247 | 0.237785 | mattergen | mattergen_base |
mtgn_3384714_Ga4Pd1Au1 | Ga4 Pd1 Au1 | Ga4 Pd1 Au1 | P4/mmm | 123 | -0.000001 | 2026-02-12 13:38:23 | 1,064 | 3.812308 | 3.803121 | 4.116066 | 0.009187 | 0.312945 | 0.303759 | 0.312945 | -22.251733 | 2.983888 | 2.979921 | 3.088592 | -22.619295 | 0.001803 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.288367700659287, 0.0021598565115927, -0.0017436258850035], [-0.0022356914653889, 4.289445993931058, -0.0014501509882092], [0.0025191642011821, 0.002619218654792, 5.9209064523335995]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.300339867384741, 0.002037178431152871, -0.0011583703403464382], [-0.0023714777887642218, 4.303637263020052, -0.0005898183257354823], [0.0034354162811663118, 0.0038872728493682166, 6.1559391076694165]], "pbc": [true, t... | 3.017467 | 3.088592 | [
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-0.028040... | 6 | 6 | 0.196528 | 0.471212 | 0.188563 | 0.436106 | mattergen | mattergen_base |
mtgn_6081831_ | Cs2 Be2 P2 | Cs4 Be4 P4 | C2/m | 12 | -0.000008 | 2026-02-12 13:37:00 | 1,064 | 2.855149 | 2.557394 | 2.549803 | 0.297754 | 0.007591 | 0.305346 | 0.305346 | -22.76017 | 0.029578 | 0.016325 | 0.017217 | -22.615009 | 0.004336 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.622487834120858, 0.0029665529674346, -0.992092461675706], [-0.5369927791914216, 6.28871732497853, -1.9292631844431136], [0.0162941629646596, -0.0423651832384951, 7.153646967854564]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6436346530602535, 0.0011397136231995051, -0.9985307881244915], [-0.5308296965597356, 6.2778995059929965, -1.89623983465288], [0.008320647198873675, -0.0001443831916873064, 7.170683649012309]], "pbc": [true, true, true... | 0.02104 | 0.029578 | [
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-0.0364... | 6 | 6 | 0.420551 | 0.12141 | 0.413566 | 0.118867 | mattergen | mattergen_base |
mtgn_3435728_In1H1Pt1Rh2 | In1 H1 Pt1 Rh2 | In1 H1 Pt1 Rh2 | P4/mmm | 123 | -0.000003 | 2026-02-12 13:55:55 | 1,064 | 4.535281 | 5.4924 | 5.485456 | 0.957118 | 0.006944 | 0.950174 | 0.957118 | -27.64414 | 3.724201 | 3.794134 | 3.791836 | -28.050205 | 0.000137 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9346737174675015, 0.0002682733076676, -4.1471308868e-05], [-0.0001322167935477, 4.0170611167240065, -0.0001066095423065], [6.87571524548e-05, 0.0005999517668664, 4.017428610372628]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9989293400608044, 0.00021752950998823374, -5.072026048853187e-05], [-0.0001907812014912696, 4.083372513981178, -0.00033011431488200914], [6.123228266197893e-05, 0.00038803979374553237, 4.083376793782737]], "pbc": [tru... | 3.770057 | 3.794134 | [
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0.04542269028... | 6 | 6 | 1.213599 | 0.42322 | 1.149352 | 0.409908 | mattergen | mattergen_base |
mtgn_3589565_Ca1Y1Pd2 | Ca1 Y1 Pd2 | Ca1 Y1 Pd2 | P4/mmm | 123 | -0.000005 | 2026-02-12 14:05:49 | 1,064 | 3.98157 | 3.973768 | 5.186144 | 0.007802 | 1.212377 | 1.204575 | 1.212377 | -21.985625 | 1.228046 | 1.232042 | 3.935911 | -22.082644 | 0.000408 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4928187529704426, 0.0122034451089723, -0.0047932885241128], [-0.012840337285477, 3.490907470679768, -0.0017860413065526], [0.0095499053989121, 0.0033028176831179, 7.086079635899792]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.527758086915189, 0.012096168572893943, -0.004930236274248525], [-0.013198182057477335, 3.5258912534938567, -0.001789053283405859], [0.009431540851345786, 0.003352603436192581, 7.1327833325567855]], "pbc": [true, true,... | 2.132 | 3.935911 | [
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-0.... | 6 | 6 | 0.363961 | 2.376255 | 0.358236 | 2.364923 | mattergen | mattergen_base |
mtgn_4030587_CaBi2 | Ca2 Bi4 | Ca4 Bi8 | Cmcm | 63 | -0.000012 | 2026-02-12 14:17:06 | 1,064 | 3.578395 | 4.411566 | 5.341487 | 0.833171 | 0.929921 | 1.763092 | 1.763092 | -22.592304 | 2.969362 | 4.295255 | 4.277123 | -22.571966 | 0.020098 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.5489708963712285, 0.0011457846647835, -1.2657705476276613], [-0.0009054142271236, 4.530022582137109, 0.0006822151334293], [0.0392556189436798, -0.0014002255192624, 8.940125590189316]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.536938517463478, 0.0011132538427534467, -1.2633623553558373], [-0.0009408861811148563, 4.65941349878062, 0.000770665300420471], [0.037449723936433844, -0.0012552663452736427, 8.916988982119681]], "pbc": [true, true, t... | 3.847247 | 4.295255 | [
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0.0403175... | 6 | 6 | 0.052275 | 2.661566 | 0.015218 | 2.644397 | mattergen | mattergen_base |
mtgn_6048953_ | Na1 As2 Rh2 | Na2 As4 Rh4 | C2/m | 12 | -0.000018 | 2026-02-12 14:24:44 | 1,064 | 3.531838 | 3.459029 | 3.010807 | 0.07281 | 0.448221 | 0.521031 | 0.521031 | -27.886496 | 1.918901 | 1.941643 | 4.213106 | -28.002264 | 0.023318 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8299101109868574, 0.0110155409267431, -1.1993457980505584], [-0.3857154011375152, 3.81040589473358, -1.2026816095116828], [-0.0381749846858263, -0.0353225515043263, 6.252775424435006]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.833746836662479, -0.0010625351661500118, -1.2353658528887568], [-0.3986390740522825, 3.81250681749837, -1.2404322307575473], [0.05730000175611427, 0.06814478946218011, 6.736464957614885]], "pbc": [true, true, true], "... | 2.691217 | 4.213106 | [
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0.02547416211171... | 6 | 6 | 1.399368 | 0.167736 | 1.065238 | 0.144252 | mattergen | mattergen_base |
mtgn_6142885_ | Li1 Ho1 S2 | Li3 Ho3 S6 | R-3m | 166 | -0.000007 | 2026-02-12 14:22:55 | 1,064 | 2.948533 | 2.953634 | 2.873791 | 0.005101 | 0.079843 | 0.074742 | 0.079843 | -26.088719 | 0.183973 | 0.183994 | 0.152238 | -22.164936 | 0.007474 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6892338935296882, 3.18841129229e-05, 1.1377625071392083], [1.666698537314239, 3.2885372228549645, 1.1380851144968405], [0.0218974350750095, 0.0153268838322865, 6.442689681432006]], "pbc": [true, true, true], "a": 3.86... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7200464100384294, 0.0004028502609989353, 1.14970304954863], [1.6811974315118858, 3.3186096639736014, 1.1492671979057572], [0.004158278823071324, 0.002900840154630347, 6.568523044285892]], "pbc": [true, true, true], "a... | 0.173401 | 0.183994 | [
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0.0737294... | 6 | 6 | 0.087516 | -0.033114 | 0.097314 | -0.028988 | mattergen | mattergen_base |
cd-251023-5e003ac45c3149f3922dbf87c7d565f9 | K2 S4 | K2 S4 | P1 | 1 | -0.002009 | 2026-02-12 14:26:20 | 1,064 | 2.164029 | 2.168483 | 2.016923 | 0.004454 | 0.15156 | 0.147106 | 0.15156 | -22.646403 | 0.011067 | 0.01086 | 0.008801 | -22.653315 | 0.018316 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.919789976670875, -0.0325808347937663, -2.2885542564251926], [-0.9599243108620726, 5.9510577437552, 1.3496520980717301], [-0.0391003380255246, 0.1403815233666671, 6.2068482773858324]], "pbc": [true, true, true], "a": 5... | {"@module":"pymatgen.core.structure","@class":"Structure","charge":0.0,"lattice":{"matrix":[[4.856021411252374,0.0,-2.287720970011534],[-0.9662697133368975,6.068049243021188,1.223862802568251],[0.0,0.0,6.28671623]],"pbc":[true,true,true],"a":5.36792429,"b":6.26520063,"c":6.28671623,"alpha":78.73524126000001,"beta":115.... | 0.010243 | 0.011067 | [
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-0.03... | 6 | 6 | 0.319888 | -0.014823 | 0.316684 | -0.015901 | crystal-diffusers | xpanceo-team/mattergen-dn-k_1064 |
mtgn_6111114_ | Ni3 Sb1 | Ni6 Sb2 | I4/mmm | 139 | -0 | 2026-02-12 14:34:40 | 1,064 | 4.745824 | 4.654778 | 4.169052 | 0.091046 | 0.485726 | 0.576772 | 0.576772 | -21.041008 | 3.090201 | 3.028029 | 2.856885 | -22.0455 | 0.00045 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3625019415113986, -0.0068163644907915, -1.539238253155025], [-0.7163898525181849, 3.28461999765233, -1.540779146698955], [0.0413152427426865, 0.0539951964641847, 4.500976012586159]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4207922730263496, -0.0004874615187013135, -1.5719390816454466], [-0.7230567895102734, 3.3449573102923447, -1.5747243273920968], [-0.0011126333671320242, -0.00020350361405316997, 4.50231983673085]], "pbc": [true, true,... | 2.991705 | 3.090201 | [
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0.0748821... | 6 | 6 | 0.801023 | 0.410863 | 0.817002 | 0.395219 | mattergen | mattergen_base |
mtgn_3347941_Ti2Al1Zn1 | Ti2 Al1 Zn1 | Ti2 Al1 Zn1 | P4/mmm | 123 | -0.000008 | 2026-02-12 14:33:23 | 1,064 | 5.738444 | 4.973802 | 4.977389 | 0.764642 | 0.003587 | 0.761055 | 0.764642 | -21.561981 | 3.041617 | 1.943503 | 1.945277 | -22.025272 | 0.000262 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.00127943586853, 0.0002919199895579, 6.09243096595e-05], [1.35197252694e-05, 3.882652290169709, -0.0005071830815899], [-0.0004444016655066, 0.0006748135372488, 3.883063925477968]], "pbc": [true, true, true], "a": 4.001... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9832663794082603, 7.007575634821994e-05, 0.000386170422755163], [-0.00020876832327883154, 3.9866262929005987, -0.0010797243885956084], [-0.0001295608407810808, 0.00013412912993045545, 3.9884231396978524]], "pbc": [tru... | 2.310132 | 3.041617 | [
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-0.0846827... | 6 | 6 | 0.322146 | 1.673433 | 0.310481 | 1.546484 | mattergen | mattergen_base |
mtgn_6177870_ | Sc2 Cd1 Co1 | Sc2 Cd1 Co1 | P4/mmm | 123 | -0.000005 | 2026-02-12 14:43:32 | 1,064 | 3.147192 | 3.14732 | 3.390947 | 0.000128 | 0.243628 | 0.243755 | 0.243755 | -21.555823 | 2.314825 | 2.314589 | 1.149531 | -22.042473 | 0.009509 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.171542239274888, 0.000232540408907, -7.30170770717e-05], [-0.0002778673404281, 3.1715569949315734, -0.0005507123163302], [0.0001365235713866, 0.0013141102301611, 7.0934084428790625]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.170403476100288, 0.0001861305932643812, -0.0001200750419350189], [-0.0003240287572379953, 3.169283352780627, -0.0006976674671370075], [6.035524970708548e-05, 0.0010498321662943113, 7.531347831337736]], "pbc": [true, t... | 1.926315 | 2.314825 | [
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-0.04228... | 6 | 6 | 0.424911 | 2.381459 | 0.335248 | 2.209044 | mattergen | mattergen_base |
mtgn_3300048_Pr1Zn3Pd2 | Pr1 Zn3 Pd2 | Pr1 Zn3 Pd2 | P6/mmm | 191 | -0.000003 | 2026-02-12 15:10:05 | 1,064 | 1.944926 | 2.854581 | 2.85637 | 0.909655 | 0.00179 | 0.911445 | 0.911445 | -23.746474 | 4.694575 | 3.666038 | 3.670743 | -22.556498 | 0.000755 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.294646277999701, -0.0005775533705615, 0.0012383954440402], [0.0016478918025415, 4.577571471808058, -2.641692173114224], [-0.0010420784285263, -0.0013019815183319, 5.28390743786032]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.271178232886272, -0.0008056065930146591, 0.0010462819794226708], [0.0015642278568193358, 4.725743083034883, -2.727461390787001], [-0.0013092236541087634, -0.0010228618092961357, 5.456019432503713]], "pbc": [true, true... | 4.010452 | 4.694575 | [
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0.00... | 6 | 6 | 0.30397 | 0.724399 | 0.284637 | 0.632121 | mattergen | mattergen_base |
mtgn_6055982_ | Sc1 Cu2 Si2 | Sc2 Cu4 Si4 | I4/mmm | 139 | -0.000002 | 2026-02-12 15:14:46 | 1,064 | 5.356814 | 5.429973 | 4.12985 | 0.073159 | 1.300123 | 1.226964 | 1.300123 | -26.928016 | 2.627233 | 2.520418 | 1.671186 | -27.866333 | 0.00409 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.536177024971876, 0.0003114520539991, -1.2594717418033663], [-0.4538299734906839, 3.5072119335853156, -1.258478034144401], [0.053696680195221, 0.0597215336432826, 5.6877432711383324]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.594784650449542, 0.0004883814866260778, -1.2873946410713017], [-0.46111754710251857, 3.5659016522856217, -1.2862008272968866], [0.02333891263458298, 0.02548191740594978, 5.726049253988779]], "pbc": [true, true, true],... | 2.272946 | 2.627233 | [
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-0.054... | 6 | 6 | 0.044462 | 0.948331 | 0.059655 | 0.842446 | mattergen | mattergen_base |
mtgn_6178543_ | La1 Zn3 Ni2 | La1 Zn3 Ni2 | P6/mmm | 191 | -0 | 2026-02-12 15:05:45 | 1,064 | 2.475694 | 3.865432 | 3.857755 | 1.389738 | 0.007677 | 1.382061 | 1.389738 | -21.285905 | 3.619732 | 3.164911 | 3.166634 | -22.502937 | 0.000311 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.021394145707669, 0.0002478230612111, 0.0048253943747069], [0.0031496944768546, 4.532886707223166, -2.61718800056333], [-0.0069555871894763, 0.0012125285486616, 5.233678485907988]], "pbc": [true, true, true], "a": 4.02... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0871186192169775, 0.0003358864063023601, 0.003959529157197184], [0.0038943826662313757, 4.577065566846312, -2.6436452765477902], [-0.008260551621040611, 0.0006386627707850691, 5.28557202914811]], "pbc": [true, true, t... | 3.317093 | 3.619732 | [
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0.01428... | 6 | 6 | 0.838022 | 0.829935 | 1.010661 | 0.740224 | mattergen | mattergen_base |
mtgn_3604187_Lu2In1Rh1 | Lu2 In1 Rh1 | Lu2 In1 Rh1 | P4/mmm | 123 | -0.000025 | 2026-02-12 15:18:06 | 1,064 | 4.044357 | 4.04468 | 5.282455 | 0.000323 | 1.237776 | 1.238099 | 1.238099 | -21.53307 | 2.736059 | 2.735075 | 1.788193 | -22.079855 | 0.007077 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3612214985806954, 0.0001083728071652, 0.000717255106177], [-9.9659160688e-06, 3.3613264057343444, 0.0013610468579135], [-0.0020463904354762, -0.0019375680444783, 7.592966695908822]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4390325754970963, 7.968231090070465e-05, 0.0004262884597043875], [-4.134580687754013e-05, 3.438952637576926, 0.000599636702917053], [-0.0027390032315144823, -0.0036943859578286923, 7.5602197249665535]], "pbc": [true, ... | 2.419776 | 2.736059 | [
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-0.049988... | 6 | 6 | 0.2889 | 0.924401 | 0.245518 | 0.848812 | mattergen | mattergen_base |
mtgn_5571204_Be5Au | Be5 Au1 | Be20 Au4 | F-43m | 216 | -0.000002 | 2026-02-12 15:48:05 | 1,064 | 4.248904 | 4.2498 | 4.248834 | 0.000896 | 0.000966 | 0.00007 | 0.000966 | -22.52508 | 0.100932 | 0.100993 | 0.100945 | -22.488976 | 0.000912 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.680072488799774, 0.0021816334936541, 2.1270210131345224], [1.2240189796996181, 3.4719361974020475, 2.124767772504832], [-0.0023719678263443, 0.0009100464143493, 4.250532070987961]], "pbc": [true, true, true], "a": 4.2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7459603698238553, 0.0019251480740645852, 2.1652312260490794], [1.2458055967682273, 3.5337450816332785, 2.162677208249678], [-0.002078350210305863, 0.000845059172409811, 4.3263079206220665]], "pbc": [true, true, true],... | 0.100957 | 0.100993 | [
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-0.13... | 6 | 6 | -0.042309 | 0.760849 | -0.05199 | 0.685633 | mattergen | space_group |
mtgn_1359411_Lu2Ga1Pt1 | Lu2 Ga1 Pt1 | Lu4 Ga2 Pt2 | Amm2 | 38 | -0.000034 | 2026-02-12 15:19:32 | 1,064 | 5.302279 | 4.482714 | 4.855251 | 0.819566 | 0.372537 | 0.447028 | 0.819566 | -21.664005 | 4.361464 | 4.35803 | 4.623891 | -22.016987 | 0.010516 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3787194135444034, -0.0007119943083174, -1.1511058831926453], [0.0010310548588879, 4.372332062414113, -0.0006148093049946], [0.0337370456408439, 0.0008914579552536, 5.6047894784475]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4843591298169443, -0.0007388569545286096, -1.190573243174483], [0.0010525207697998956, 4.430590859543111, -0.0005948385986550626], [-0.03577355047219336, 0.0009429075213417719, 5.590229858827811]], "pbc": [true, true,... | 4.447795 | 4.623891 | [
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-0.05794742... | 6 | 6 | 0.581433 | 2.007746 | 0.504356 | 1.928686 | mattergen | mattergen_base |
mtgn_6039188_ | Li1 Pr1 P2 Pd1 | Li2 Pr2 P4 Pd2 | I-4m2 | 119 | -0.000007 | 2026-02-12 15:58:57 | 1,064 | 3.791657 | 3.784242 | 3.764586 | 0.007415 | 0.019656 | 0.027071 | 0.027071 | -29.597796 | 1.95851 | 2.010918 | 3.04388 | -27.762226 | 0.004745 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.700502451639704, -0.0141568442019214, -1.3483033932427815], [-0.5139769589639196, 3.664978057237718, -1.3490251379089], [0.0556653930923333, 0.0627110800062534, 5.846444773694749]], "pbc": [true, true, true], "a": 3.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8027427791945514, 0.0014117856936982556, -1.3936429528701484], [-0.5119734440133609, 3.768213296347617, -1.3933122245097371], [0.02214021089234672, 0.02598279268071518, 5.946477375956513]], "pbc": [true, true, true], ... | 2.33777 | 3.04388 | [
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0.053754516... | 6 | 6 | 0.171459 | 0.83791 | 0.131817 | 1.151746 | mattergen | mattergen_base |
mtgn_6170271_ | Li2 Ir1 Pd1 N1 | Li2 Ir1 Pd1 N1 | P4/mmm | 123 | -0 | 2026-02-12 17:26:04 | 1,064 | 4.443325 | 5.084203 | 4.443289 | 0.640878 | 0.640914 | 0.000036 | 0.640914 | -27.771664 | 1.035295 | 1.786622 | 1.03519 | -27.641542 | 0.000237 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9798456533079736, 0.000154005841816, 0.0005862401289042], [-0.000301732864897, 3.7452361085442445, -0.0002157390064025], [-0.0004358514086331, 7.75119217224e-05, 3.9797541654876833]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.090926415030865, 0.00022412766607999004, 0.0005552273802520923], [-0.00024229558146919203, 3.7576476327082657, -0.0001577624484173467], [-0.000495409900524662, 0.00014419345510857347, 4.090949357745169]], "pbc": [true... | 1.285702 | 1.786622 | [
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0.014... | [
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0.013... | 6 | 6 | 1.230033 | 1.513131 | 1.236246 | 1.610691 | mattergen | mattergen_base |
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