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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mtgn_6028915_ | Y1 Si2 Pd2 | Y2 Si4 Pd4 | I4/mmm | 139 | -0.000002 | 2026-02-11 15:17:04 | 1,064 | 4.208168 | 4.239382 | 3.509907 | 0.031214 | 0.729475 | 0.698261 | 0.729475 | -32.406953 | 2.417121 | 2.445416 | 2.078303 | -32.406757 | 0.006566 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.806678451377481, -0.0111588869031322, -1.423157543019365], [-0.5188642405765259, 3.7683801303805335, -1.4308247647549026], [0.0253672822224111, 0.0392887545602284, 5.788301915153138]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8912471544353626, -0.02022468116718217, -1.4661310900841438], [-0.5388680936991813, 3.851359016128557, -1.4733496634724514], [-0.035501506483362984, -0.02942008960410568, 5.798980048768344]], "pbc": [true, true, true]... | 2.313613 | 2.445416 | [
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-0.036950428... | 6 | 6 | 0.197381 | 0.627978 | 0.212333 | 0.721237 | mattergen | mattergen_base |
mtgn_3681894_Sr1P2Rh2 | Sr1 P2 Rh2 | Sr2 P4 Rh4 | I4/mmm | 139 | -0.000007 | 2026-02-11 18:20:05 | 1,064 | 4.558625 | 4.503881 | 3.03322 | 0.054745 | 1.470661 | 1.525405 | 1.525405 | -31.645722 | 2.516757 | 2.454861 | 2.062989 | -31.876183 | 0.00392 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.712466108692246, -0.0045523591455578, -1.1812684280038754], [-0.3736221312613983, 3.6929357034121946, -1.1806891940356916], [0.0409145784667981, 0.0428385403996318, 6.602686413722821]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7836750431587554, -0.002576493010270642, -1.1972943343684244], [-0.3788165190037986, 3.764635632912041, -1.1969661267247116], [0.00962727195624521, 0.0077948815949997734, 6.591127275223587]], "pbc": [true, true, true]... | 2.344869 | 2.516757 | [
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0.07596... | 6 | 6 | 0.703551 | 0.270125 | 0.691841 | 0.288723 | mattergen | mattergen_base |
mtgn_6038459_ | Sr1 Si2 Rh2 | Sr2 Si4 Rh4 | I4/mmm | 139 | -0.00001 | 2026-02-11 18:48:53 | 1,064 | 3.52676 | 3.436694 | 2.913101 | 0.090066 | 0.523593 | 0.613659 | 0.613659 | -31.513143 | 3.211517 | 3.117269 | 2.128488 | -31.812073 | 0.007389 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.853276424648808, -0.0021873427093493, -1.413537972042538], [-0.5158143398240734, 3.8174505537603585, -1.4130024184137], [-0.0124370245646311, -0.014410647842261, 5.953897007336292]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9073114479921722, -0.0009994547443075152, -1.4296273676787452], [-0.5219756779301031, 3.8723545624849645, -1.4294571905785642], [-0.013466827062367537, -0.016175886222004415, 6.0192012503697745]], "pbc": [true, true, ... | 2.819091 | 3.211517 | [
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0.001618133... | 6 | 6 | 0.289657 | 0.238235 | 0.299617 | 0.233163 | mattergen | mattergen_base |
mtgn_4145933_LaCoSi3 | La1 Co1 Si3 | La2 Co2 Si6 | I4mm | 107 | -0.000011 | 2026-02-11 19:20:14 | 1,064 | 5.616557 | 5.472916 | 4.764683 | 0.14364 | 0.708234 | 0.851874 | 0.851874 | -31.574329 | 3.012459 | 2.995916 | 2.862709 | -31.662975 | 0.003313 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.850971667669264, -0.0124367171726866, -1.5120703049186788], [-0.5988082486336043, 3.8049466842485837, -1.510319360105887], [-0.0137841415938065, -0.0195501700825161, 5.61342336283899]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8755727786984893, -0.003823152198383999, -1.5234304701489314], [-0.5939344488153304, 3.8305292926758963, -1.521395780206984], [-0.0018004016475702122, -0.0052159437085763085, 5.686338539368203]], "pbc": [true, true, t... | 2.957028 | 3.012459 | [
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0.013901560407... | 6 | 6 | 0.278437 | 0.423213 | 0.282735 | 0.449657 | mattergen | mattergen_base |
mtgn_6162924_ | Sr1 Si2 Ni1 Os1 | Sr2 Si4 Ni2 Os2 | I-4m2 | 119 | -0.000005 | 2026-02-11 15:45:47 | 1,064 | 4.949393 | 4.938098 | 3.967408 | 0.011294 | 0.97069 | 0.981984 | 0.981984 | -31.772228 | 3.287474 | 3.230049 | 2.447883 | -32.184097 | 0.0187 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.804096292096648, -0.0013607062221403, -1.3275557659350188], [-0.4639388325049844, 3.775300301979377, -1.3280484235514574], [-0.0619566707505575, -0.0689392209120876, 5.9412999649618925]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8531039479797764, -7.820202876885071e-05, -1.343588167010538], [-0.4686794992746161, 3.823819160923156, -1.3442407962770624], [-0.04930742244830119, -0.05485908025942646, 6.0515667605851]], "pbc": [true, true, true], ... | 2.988469 | 3.287474 | [
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0.009286... | 6 | 6 | 0.448808 | 0.586539 | 0.427306 | 0.542417 | mattergen | mattergen_base |
mtgn_1309399_Zn1Fe1Co2N1 | Zn1 Fe1 Co2 N1 | Zn1 Fe1 Co2 N1 | P4/mmm | 123 | -0.000001 | 2026-02-11 16:17:05 | 1,064 | 3.892061 | 5.374751 | 3.891902 | 1.48269 | 1.482849 | 0.000159 | 1.482849 | -32.150182 | 3.975593 | 4.241126 | 3.975576 | -32.827133 | 0.000216 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7212675163168116, -0.0011711270377543, 0.0001668040561048], [0.0010246981471372, 3.681811340584532, 0.0003035875650296], [-0.0001646263370352, -0.0002797449642967, 3.7213453713242766]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7643227540528708, -0.0009521215874287906, 0.00017794525454661072], [0.0012794720427252632, 3.7732164387760583, 0.00034047675438048406], [-0.00015731055659610576, -0.00025255495563693893, 3.763940255356459]], "pbc": [t... | 4.064098 | 4.241126 | [
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0.159827171882... | 6 | 6 | 1.189538 | 0.673933 | 1.378821 | 0.633032 | mattergen | mattergen_base |
mtgn_6113530_ | Ce1 Si3 Rh1 | Ce2 Si6 Rh2 | I4mm | 107 | -0.000001 | 2026-02-11 12:30:00 | 1,064 | 5.979146 | 5.994467 | 5.483796 | 0.015321 | 0.510671 | 0.49535 | 0.510671 | -33.535561 | 3.011659 | 3.042406 | 3.528614 | -33.614532 | 0.001141 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.890341714177409, 0.0028165818981447, -1.531274412897293], [-0.6024471536757859, 3.8459209692992085, -1.5279032450597718], [-0.0079775455359257, -0.0153783764008441, 5.6912953302905525]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9153843448230745, 0.0035620178394819017, -1.541442850599738], [-0.6059893435788111, 3.87165023475165, -1.539021500942223], [0.002455924816106785, -0.004682909421281152, 5.755764691695028]], "pbc": [true, true, true], ... | 3.194226 | 3.528614 | [
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0.02832717... | 6 | 6 | 0.224925 | 0.14499 | 0.233906 | 0.145241 | mattergen | mattergen_base |
mtgn_6049183_ | La2 Rh2 Pb1 | La4 Rh4 Pb2 | Cmmm | 65 | -0.000014 | 2026-02-11 18:40:04 | 1,064 | 3.646965 | 4.778774 | 5.026363 | 1.131808 | 0.247589 | 1.379398 | 1.379398 | -31.278533 | 2.305245 | 2.426763 | 1.853328 | -31.888483 | 0.005232 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8468170579232557, 0.000929485437866, -1.0129493731228307], [-0.0004014926854713, 3.9098995479890424, 0.00093808627557], [0.0332838011877271, -0.003483816247059, 7.976839073299882]], "pbc": [true, true, true], "a": 3.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.96907953861548, 0.0007685606592376033, -1.0422131763398574], [-0.00038725067613566537, 3.9527967854392814, 0.0017417485423434054], [-0.014045789080695877, -0.0018802033522355597, 8.023476939539007]], "pbc": [true, tru... | 2.195112 | 2.426763 | [
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mtgn_4191502_BaMnCoP2 | Ba1 Mn1 Co1 P2 | Ba2 Mn2 Co2 P4 | I-4m2 | 119 | -0.000006 | 2026-02-11 14:05:51 | 1,064 | 4.361182 | 4.357567 | 4.178279 | 0.003615 | 0.179288 | 0.182903 | 0.182903 | -32.844189 | 2.857815 | 2.877167 | 2.688404 | -33.058315 | 0.001955 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.652930942006394, -0.0019945717172946, -1.0745379234391317], [-0.3151776886863907, 3.6396578229278544, -1.0737411305278042], [-0.0120103772101785, -0.0150373388534486, 6.698230060069823]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6739596123513514, -0.0014883455342254662, -1.0812269336024751], [-0.3165335224588687, 3.6610635723513805, -1.0806209178591], [0.016165205208078594, 0.015269024859260204, 6.835913122896169]], "pbc": [true, true, true],... | 2.807795 | 2.877167 | [
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0.09963386192... | 6 | 6 | 0.44389 | 0.589842 | 0.497722 | 0.626384 | mattergen | mattergen_base |
mtgn_4025122_SrSi2IrRh | Sr1 Si2 Ir1 Rh1 | Sr2 Si4 Ir2 Rh2 | I-4m2 | 119 | -0.000006 | 2026-02-11 13:34:03 | 1,064 | 4.616699 | 4.529256 | 3.492625 | 0.087443 | 1.036631 | 1.124074 | 1.124074 | -33.023988 | 2.970153 | 2.905212 | 2.292516 | -33.205975 | 0.005837 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.859242377392663, -0.002744643746475, -1.412989808489309], [-0.515138940019785, 3.825257223461716, -1.4125723466659013], [-0.02583235596247, -0.030655260635626, 5.930157898019878]], "pbc": [true, true, true], "a": 4.10... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.90454742313413, -0.0012330126278354034, -1.4264890497751426], [-0.5196208734204659, 3.8699365872942697, -1.4259708624278882], [-0.02029734446612557, -0.02419316355043595, 6.002656660795521]], "pbc": [true, true, true]... | 2.722627 | 2.970153 | [
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mtgn_6023503_ | La3 Bi1 N1 | La3 Bi1 N1 | Pm-3m | 221 | -0 | 2026-02-11 18:22:04 | 1,064 | 3.249903 | 3.2504 | 3.250063 | 0.000496 | 0.000336 | 0.00016 | 0.000496 | -31.790536 | 2.212097 | 2.21199 | 2.212219 | -32.000645 | 0.000109 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.066576241745859, 0.0003391125816919, -0.0016897333853755], [-0.0006495630179229, 5.06674539043929, -0.0008637736456663], [0.0008555105224561, 0.0003669300406051, 5.0667667986185405]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.119612216949463, 0.0, -0.0025726610328999653], [-0.0009991296070679515, 5.12182464391193, -0.001243953127413576], [0.0, 0.0, 5.122028350830078]], "pbc": [true, true, true], "a": 5.119612863344551, "b": 5.1218248924248... | 2.212102 | 2.212219 | [
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mtgn_3532956_Mn1Ga1Fe2H1 | Mn1 Ga1 Fe2 H1 | Mn1 Ga1 Fe2 H1 | P4/mmm | 123 | -0.000004 | 2026-02-11 14:03:05 | 1,064 | 6.344996 | 6.34926 | 5.955133 | 0.004264 | 0.394126 | 0.389862 | 0.394126 | -32.378225 | 4.983219 | 4.982439 | 3.010218 | -32.950176 | 0.000443 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.669669909578086, -0.0050212557717716, 0.0038725242265475], [0.0049723150628584, 3.670297669176662, 0.0029204336169287], [-0.0042457077890914, -0.0029834749047784, 3.6994787271608547]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6985639671579063, -0.004899022298000354, 0.0041504851254588575], [0.005172993891755499, 3.6989333726986273, 0.003023188791888104], [-0.004093726870848044, -0.0029742063563651887, 3.7900297207888536]], "pbc": [true, tr... | 4.325292 | 4.983219 | [
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0.072516126... | 6 | 6 | 0.562122 | 0.681551 | 0.549913 | 0.691036 | mattergen | mattergen_base |
mtgn_3494806_Nd1Ge3Os1 | Nd1 Ge3 Os1 | Nd2 Ge6 Os2 | I4mm | 107 | -0.000002 | 2026-02-11 17:37:04 | 1,064 | 4.848802 | 4.785514 | 4.270841 | 0.063289 | 0.514673 | 0.577962 | 0.577962 | -34.647602 | 2.603303 | 2.668397 | 3.084604 | -32.129234 | 0.007019 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.076126723654009, -0.0035930640023281, -1.6068064765051897], [-0.6388247790558146, 4.025350200416002, -1.607689113395618], [-0.0040652054463267, -0.0032399204329836, 5.948811764399171]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.127696369105904, -0.00011608825513738395, -1.629382991021616], [-0.6433847921530859, 4.076304055454998, -1.630168993135249], [-0.018338486579652116, -0.019769875156730243, 5.99633522505638]], "pbc": [true, true, true]... | 2.785434 | 3.084604 | [
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0.0715125... | 6 | 6 | 0.517089 | 1.257343 | 0.479595 | 1.222985 | mattergen | mattergen_base |
mtgn_6184500_ | Lu1 Cu4 Ag1 | Lu4 Cu16 Ag4 | F-43m | 216 | -0.000005 | 2026-02-11 20:09:45 | 1,064 | 1.542576 | 1.541713 | 1.542926 | 0.000862 | 0.001213 | 0.000351 | 0.001213 | -23.273306 | 10.76226 | 10.754528 | 10.781494 | -25.116983 | 0.001754 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.288684422012593, -0.0011517118291627, 2.481459186368365], [1.4310971318129329, 4.0447781109780605, 2.4787680653024564], [-0.001885019178794, 0.0001543523604837, 4.9551565921280645]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.345276188544568, -0.0013274870529981805, 2.514070726270758], [1.4499194140502134, 4.098414402865991, 2.511189595873546], [-0.0020326477419065356, -0.00011951793687902487, 5.020489679129416]], "pbc": [true, true, true]... | 10.766094 | 10.781494 | [
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mtgn_1274942_Ca1Si2Ni1Ru1 | Ca1 Si2 Ni1 Ru1 | Ca2 Si4 Ni2 Ru2 | I-4m2 | 119 | -0.000005 | 2026-02-11 20:14:11 | 1,064 | 5.129853 | 5.127539 | 4.142973 | 0.002314 | 0.984566 | 0.98688 | 0.98688 | -30.880072 | 3.164711 | 3.068119 | 2.124199 | -31.30772 | 0.006596 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7256205306868573, -0.0036143614003326, -1.3614154736501791], [-0.4957215766673133, 3.6928530784319262, -1.3610118292715325], [-0.0196696362246177, -0.0229581483129404, 5.744034911461544]], "pbc": [true, true, true], "... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7629778507170037, -0.0019922495333177283, -1.371893823251658], [-0.49910123276515245, 3.7298338600962815, -1.3716309860084706], [-0.019448361059650147, -0.02293279394350812, 5.789381851273445]], "pbc": [true, true, tr... | 2.785676 | 3.164711 | [
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mtgn_4202574_RbP2IrRh | Rb1 P2 Ir1 Rh1 | Rb2 P4 Ir2 Rh2 | I-4m2 | 119 | -0.000001 | 2026-02-11 20:05:18 | 1,064 | 3.481283 | 3.487261 | 3.606268 | 0.005978 | 0.119007 | 0.124985 | 0.124985 | -31.349927 | 0.85131 | 0.845391 | 0.419963 | -31.355793 | 0.005695 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7830955689058556, 0.0004574893978788, -1.0399196709565772], [-0.2844997330585838, 3.7721789769732523, -1.035914546082984], [-0.0137324583950816, -0.0179803372963915, 7.361704033868697]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8196122609012306, 0.00019313124567681695, -1.0496701541602975], [-0.2879492577210235, 3.816145971395405, -1.0472081996887856], [-0.010670105365558033, -0.017833596483270885, 7.442310300854712]], "pbc": [true, true, tr... | 0.705555 | 0.85131 | [
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mtgn_6186288_ | Sr1 Mn1 Ni1 P2 | Sr2 Mn2 Ni2 P4 | I-4m2 | 119 | -0.000006 | 2026-02-11 19:52:13 | 1,064 | 3.957617 | 3.959088 | 3.191435 | 0.00147 | 0.767653 | 0.766182 | 0.767653 | -30.937118 | 3.327482 | 3.28875 | 2.441958 | -31.462107 | 0.005326 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5872702367068032, 0.0063378571699566, -1.0811337761291555], [-0.3318919907213811, 3.572007784626753, -1.0805555967424954], [-0.0073885218838519, -0.0096917456720852, 6.4478725410664905]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6517398448940086, 0.005946841139534761, -1.1021713060174771], [-0.3383302424498009, 3.6365299300684537, -1.101483029055407], [-0.03773410546705319, -0.042875388658861646, 6.472958121652949]], "pbc": [true, true, true]... | 3.019397 | 3.327482 | [
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0.10280619... | 6 | 6 | 0.303002 | 0.738765 | 0.297311 | 0.78395 | mattergen | mattergen_base |
mtgn_6123832_ | Rb1 Fe2 P2 | Rb2 Fe4 P4 | I4/mmm | 139 | -0.000004 | 2026-02-11 20:21:01 | 1,064 | 4.2959 | 4.286065 | 3.163487 | 0.009835 | 1.122578 | 1.132413 | 1.132413 | -30.741077 | 1.932086 | 1.937512 | 1.276851 | -31.281908 | 0.006261 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.636253895002119, 0.0027329349138878, -0.993731435218011], [-0.273437243108663, 3.625968654210688, -0.9935327295393539], [0.017554256215019, 0.0173615932406001, 7.207869834358934]], "pbc": [true, true, true], "a": 3.76... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6688589748832925, 0.0012895105318516261, -1.0032227870539692], [-0.2771889381630224, 3.6581323390037297, -1.00242248623179], [0.02848855015834121, 0.03033265972297142, 7.31621031358389]], "pbc": [true, true, true], "a... | 1.715483 | 1.937512 | [
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0.1097493250336... | 6 | 6 | 0.306788 | 0.50047 | 0.299007 | 0.507058 | mattergen | mattergen_base |
mtgn_4116271_PrCoSi3 | Pr1 Co1 Si3 | Pr2 Co2 Si6 | I4mm | 107 | -0.000003 | 2026-02-11 20:25:08 | 1,064 | 5.52949 | 5.514108 | 4.7949 | 0.015382 | 0.719208 | 0.734589 | 0.734589 | -33.318067 | 2.857334 | 2.821345 | 2.949842 | -31.356495 | 0.003322 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.762246913058864, -0.0098028138857409, -1.4841670154741966], [-0.591571101578497, 3.7173765581294447, -1.4817259759458186], [0.0172423438380947, 0.0152448301274632, 5.542852244796182]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8509887403786287, -0.0020434733826708703, -1.5207605831564537], [-0.5975271637863607, 3.8058662047608336, -1.518009065245194], [0.014099051052494647, 0.011843932602122966, 5.670466382493151]], "pbc": [true, true, true... | 2.876174 | 2.949842 | [
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0.0365592344... | 6 | 6 | 0.257844 | 0.337812 | 0.262006 | 0.453512 | mattergen | mattergen_base |
mtgn_3415533_Li1Ca1Cu2As2 | Li1 Ca1 Cu2 As2 | Li1 Ca1 Cu2 As2 | P-3m1 | 164 | -0.000001 | 2026-02-11 20:50:58 | 1,064 | 2.801892 | 2.802953 | 2.755633 | 0.00106 | 0.047319 | 0.046259 | 0.047319 | -24.194224 | 1.517992 | 1.515402 | 1.498004 | -25.014524 | 0.008061 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.095406413431979, -0.0034678617994845, -0.0011061155512752], [-2.0440787099930615, 3.54874989984224, -0.0001447902970866], [0.0007582655642693, 0.0022970694299754, 6.819116871206233]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.164801943829678, -0.002647946403843345, -0.0018206584211927332], [-2.0779539047235973, 3.608584129982769, -0.00019900183337335638], [-0.00041981129230563805, 0.0015481361201637779, 6.861247409082897]], "pbc": [true, t... | 1.510466 | 1.517992 | [
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0.03... | 6 | 6 | 0.060406 | 0.553351 | 0.033462 | 0.502608 | mattergen | mattergen_base |
mtgn_3553819_La1Co2Ge2 | La1 Co2 Ge2 | La2 Co4 Ge4 | I4/mmm | 139 | -0.000005 | 2026-02-11 20:53:34 | 1,064 | 4.032497 | 4.006711 | 4.019493 | 0.025785 | 0.012782 | 0.013003 | 0.025785 | -30.828627 | 2.459742 | 2.426816 | 1.262547 | -31.127607 | 0.006567 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.794602512810892, 0.0015337031332974, -1.384279349184122], [-0.505793856586126, 3.7601496972296284, -1.385957574831872], [-0.005413327463723, -0.00353665115831, 5.861382980890406]], "pbc": [true, true, true], "a": 4.03... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.860007874808623, -6.343878607931851e-06, -1.4105073076126122], [-0.5160268566072505, 3.8248235137177793, -1.4121151188404273], [-0.02925309212689545, -0.030635823249819782, 5.9072575796650515]], "pbc": [true, true, tr... | 2.049702 | 2.459742 | [
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0.063200906... | 6 | 6 | 0.563342 | 1.080296 | 0.580027 | 1.043086 | mattergen | mattergen_base |
mtgn_2948495_Y1Cu4Hg1 | Y1 Cu4 Hg1 | Y4 Cu16 Hg4 | F-43m | 216 | -0.000009 | 2026-02-11 23:02:04 | 1,064 | 2.921385 | 2.920479 | 2.918477 | 0.000906 | 0.002002 | 0.002908 | 0.002908 | -22.826741 | 7.501459 | 7.518391 | 7.541777 | -24.530144 | 0.000492 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.35837599213907, 0.0076402790401457, 2.5036490594409364], [1.4513520907839401, 4.108210852370963, 2.506354292630961], [0.0104857195916373, 0.0044852049384997, 5.025919667453418]], "pbc": [true, true, true], "a": 5.0263... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.421761548154049, 0.008085698537226968, 2.540332260810538], [1.4724647869255472, 4.168540432480727, 2.5436149947848254], [0.010549414455358343, 0.005146900840560911, 5.099712262651298]], "pbc": [true, true, true], "a":... | 7.520542 | 7.541777 | [
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-0.... | 6 | 6 | 0.40265 | 2.449043 | 0.393825 | 2.344391 | mattergen | mattergen_base |
mtgn_6239631_ | Ce1 Fe1 Ge3 | Ce2 Fe2 Ge6 | I4mm | 107 | -0.000002 | 2026-02-11 23:08:22 | 1,064 | 4.917784 | 4.919086 | 4.672832 | 0.001302 | 0.246254 | 0.244952 | 0.246254 | -30.17927 | 3.174255 | 3.161899 | 2.930129 | -30.565989 | 0.004952 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9480207022648153, 0.0006323626514909, -1.5730058593214227], [-0.6272329814455404, 3.8976428388765525, -1.5737640473008936], [0.0163776724586743, 0.0200174396355888, 5.77642447896621]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.00540973400453, 9.868207518297577e-05, -1.5968625525807651], [-0.6369650276571313, 3.9540351043225113, -1.5978296468451432], [-0.004394373174308242, -0.004665308613983244, 5.8112918674628204]], "pbc": [true, true, tru... | 3.088761 | 3.174255 | [
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0.1563695... | 6 | 6 | 0.530144 | 2.141774 | 0.527121 | 2.125636 | mattergen | mattergen_base |
mtgn_3656719_Te4Pd2 | Te4 Pd2 | Te2 Pd1 | P-3m1 | 164 | -0.000002 | 2026-02-11 21:21:07 | 1,064 | 4.157397 | 4.673178 | 4.405881 | 0.515781 | 0.267297 | 0.248484 | 0.515781 | -24.923485 | 6.408132 | 6.332243 | 6.491494 | -24.974895 | 0.009823 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.060230788356483, -0.0037404168276526, 0.0054478009407195], [0.0039139632551206, 5.0438922526791705, 0.0006552617484001], [-0.0104661962155195, -0.0359048679607588, 7.059613705272616]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.124945216751376, -0.0019410862468620415, 0.006854006501890091], [0.006249214906120349, 5.103218938552444, 0.01944025242274329], [-0.008287049967546107, -0.010113462731941173, 7.138816264734674]], "pbc": [true, true, t... | 6.410623 | 6.491494 | [
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0.11842018688... | 6 | 6 | 1.756209 | 0.940362 | 1.970209 | 1.002353 | mattergen | mattergen_base |
mtgn_3668803_La1Ga2Ru1Rh1 | La1 Ga2 Ru1 Rh1 | La2 Ga4 Ru2 Rh2 | I-4m2 | 119 | -0.000012 | 2026-02-11 21:47:55 | 1,064 | 5.092767 | 4.928828 | 3.799084 | 0.163939 | 1.129744 | 1.293683 | 1.293683 | -30.437557 | 3.093731 | 3.029858 | 2.818996 | -30.857714 | 0.007246 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.051095635585336, 0.0035442396401006, -1.6781203904867152], [-0.698182361942593, 3.988602172016285, -1.6846199491991665], [-0.0010049390775967, 0.0066911715569358, 5.699492294983022]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1124333206317045, 9.546534848959495e-05, -1.7079756019000918], [-0.7124593074207701, 4.049418962866807, -1.7152100018435263], [0.00028881060924167563, 0.007479038819016694, 5.804041916680174]], "pbc": [true, true, tru... | 2.980862 | 3.093731 | [
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-0.050691... | 6 | 6 | 0.621615 | 1.057842 | 0.56351 | 0.98723 | mattergen | mattergen_base |
mtgn_3568350_Lu2Ga4 | Lu2 Ga4 | Lu4 Ga8 | Imma | 74 | -0.000012 | 2026-02-11 23:00:05 | 1,064 | 5.204038 | 5.307729 | 5.079339 | 0.103691 | 0.228391 | 0.124699 | 0.228391 | -23.904384 | 4.723601 | 2.879668 | 3.477726 | -24.551725 | 0.013891 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8541862901471458, 0.013314408180278, 1.559674084136168], [1.5964835933656614, 5.210997789086032, 1.643647642283507], [-0.0233998256117609, 0.0618669051178773, 5.692058124480013]], "pbc": [true, true, true], "a": 4.157... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.827736300033752, 0.0022435698553058066, 1.5347327079367041], [1.5984190231539064, 5.301233378078713, 1.5468479620385702], [-0.08325705762096498, -0.04240946021964939, 5.748957489384148]], "pbc": [true, true, true], "a... | 3.693665 | 4.723601 | [
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-0.028429117... | 6 | 6 | 0.54206 | 1.389805 | 0.516816 | 1.360283 | mattergen | mattergen_base |
mtgn_6084799_ | Li2 Y2 In2 | Li2 Y2 In2 | P6_3/mmc | 194 | -0.000316 | 2026-02-11 22:49:05 | 1,064 | 2.649844 | 2.649854 | 4.009033 | 0.00001 | 1.359179 | 1.359189 | 1.359189 | -23.768979 | 2.597398 | 2.597369 | 3.235019 | -24.531134 | 0.000551 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.885177577380816, -0.0019328597725629, 0.0001037289077966], [-2.4404803974158797, 4.231792792038703, -0.0001630227064866], [-0.0010253616254824, 0.0009139803115522, 6.800407922626166]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.88222236233976, -0.0021815521122928254, 0.0004303882754504211], [-2.4392205135098104, 4.229249557246955, -0.0005638968182449582], [-0.0005690674644330992, 0.0005365728572609007, 6.9869905576518]], "pbc": [true, true, ... | 2.809929 | 3.235019 | [
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mtgn_6088410_ | Y2 S1 Cl2 | Y6 S3 Cl6 | R-3m | 166 | -0.000003 | 2026-02-11 22:12:55 | 1,064 | 0.870135 | 0.875037 | 2.910141 | 0.004902 | 2.035104 | 2.040007 | 2.040007 | -30.938717 | 5.280619 | 5.362172 | 0.186073 | -30.971222 | 0.05599 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8121370458028587, 0.0069761931597449, 0.719017834657159], [1.8311395296481763, 3.3433265223655635, 0.7199298180447121], [0.1777950797635553, 0.1075833920084587, 9.41791630647753]], "pbc": [true, true, true], "a": 3.87... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8555476455751947, 0.007998616278433651, 0.7312109297589431], [1.8529627704562772, 3.3812358217370746, 0.7313762366012174], [0.07463075070673127, 0.04393560924284849, 10.138420556987308]], "pbc": [true, true, true], "a... | 3.609621 | 5.362172 | [
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0.004... | 6 | 6 | 0.140737 | 0.221868 | 0.123345 | 0.251567 | mattergen | mattergen_base |
mtgn_3060204_Ba2Pd2Pb2 | Ba2 Pd2 Pb2 | Ba4 Pd4 Pb4 | C2/m | 12 | -0.000018 | 2026-02-11 20:54:54 | 1,064 | 4.003679 | 4.962701 | 4.557915 | 0.959022 | 0.404785 | 0.554237 | 0.959022 | -24.853142 | 3.233101 | 2.849315 | 2.809892 | -25.082207 | 0.014343 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4948722636348615, -0.0067758054300382, -1.701235225807612], [-0.304716214995267, 5.936724555184595, -0.8366285761788287], [-0.0306398181883372, 0.0130706849677154, 6.695174213503238]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.522735627898715, -0.008358623579341624, -1.7147915599246566], [-0.34211525301867635, 6.045247078806543, -0.9320892420178942], [0.011976134979708534, -0.06877934506734458, 6.861966503462252]], "pbc": [true, true, true]... | 2.964103 | 3.233101 | [
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-0... | 6 | 6 | 0.545319 | 2.015243 | 0.511659 | 1.911329 | mattergen | mattergen_base |
mtgn_6144006_ | La2 Pr1 Pb1 N1 | La2 Pr1 Pb1 N1 | P4/mmm | 123 | -0 | 2026-02-11 21:50:10 | 1,064 | 4.201722 | 4.212992 | 3.621667 | 0.01127 | 0.591326 | 0.580056 | 0.591326 | -32.77041 | 2.896907 | 2.903103 | 3.36468 | -31.237743 | 0.000125 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.09086053866013, 0.0003471654901505, 0.0044001048845617], [0.001203782508222, 5.087637460604145, 0.0022474098740196], [-0.0019987863723949, -0.0003208261514656, 4.902125440063655]], "pbc": [true, true, true], "a": 5.09... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.119087022119304, -0.000463838411402309, 0.0027372784799615944], [0.00039615998764323454, 5.119047766428886, 0.0010763217828992447], [-0.0037868892271698163, -0.00148927388262866, 5.123414963444871]], "pbc": [true, tru... | 3.054897 | 3.36468 | [
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-0.012074... | 6 | 6 | 0.433806 | 3.498027 | 0.383417 | 3.541475 | mattergen | mattergen_base |
mtgn_3655309_K1As2Ru2 | K1 As2 Ru2 | K2 As4 Ru4 | I4/mmm | 139 | -0.000003 | 2026-02-11 21:36:50 | 1,064 | 4.147971 | 4.11001 | 3.135263 | 0.037961 | 0.974747 | 1.012708 | 1.012708 | -30.782794 | 1.59977 | 1.584072 | 1.006168 | -31.053204 | 0.017743 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.88158519750841, 0.0005337650007919, -1.1750347297203267], [-0.356745486595473, 3.862927554029563, -1.1761494195823197], [0.0169341060451796, 0.0212041969365322, 7.056120131400807]], "pbc": [true, true, true], "a": 4.0... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9552512553995194, 0.0008202755262312136, -1.1970365845633517], [-0.3625729235705011, 3.9361377614501167, -1.1959663081766052], [0.013918802295335462, 0.021979731714549606, 7.177209789829134]], "pbc": [true, true, true... | 1.39667 | 1.59977 | [
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0.002840972424879... | 6 | 6 | 0.456293 | 0.13779 | 0.438645 | 0.141026 | mattergen | mattergen_base |
mtgn_6115977_ | Ba2 As2 Pb2 | Ba2 As2 Pb2 | P4/nmm | 129 | -0.000029 | 2026-02-11 21:46:26 | 1,064 | 3.919964 | 3.930559 | 4.020818 | 0.010595 | 0.090259 | 0.100853 | 0.100853 | -24.460369 | 0.840429 | 0.836955 | 0.53167 | -24.814459 | 0.016949 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.713090298440688, -0.0008214645513989, -0.0003975024180621], [0.0009959782633909, 4.711295864242443, 5.743628034e-05], [-0.0011141858390906, -0.0002287060797068, 9.515874835640746]], "pbc": [true, true, true], "a": 4.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.783809721325645, -0.0009206045579475912, -0.0001746457621985783], [0.0009243228811268544, 4.783314637358439, 0.0002469715507850441], [-0.0006723748243765634, 0.00015408031993723365, 9.564271570187515]], "pbc": [true, ... | 0.736351 | 0.840429 | [
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0.0244... | 1 | 6 | 0.585793 | 1.407256 | 0.570755 | 1.36504 | mattergen | mattergen_base |
mtgn_1393710_La3Pb1O1 | La3 Pb1 O1 | La3 Pb1 O1 | Pm-3m | 221 | -0 | 2026-02-11 22:22:59 | 1,064 | 4.283569 | 4.282693 | 4.284408 | 0.000876 | 0.001715 | 0.000839 | 0.001715 | -30.408679 | 2.202603 | 2.202353 | 2.201238 | -30.786118 | 0.00012 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.036225161684885, -0.0010883499259368, -0.0002469464765482], [0.0014687777855712, 5.036638165930244, 0.0010975785943574], [9.72565015303e-05, -0.0007460803067984, 5.036875880235014]], "pbc": [true, true, true], "a": 5.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.096033269102238, -0.0006618828575903528, -0.00025967560436973726], [0.0019256742808739177, 5.096490403037758, 0.0013887350096706945], [8.861858599722992e-05, -0.0004768211373687471, 5.096804126311798]], "pbc": [true, ... | 2.202064 | 2.202603 | [
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-0.0812... | 6 | 6 | 1.070911 | 3.213061 | 0.969792 | 3.141088 | mattergen | mattergen_base |
mtgn_3677797_Sr1Li1Cu2As2 | Sr1 Li1 Cu2 As2 | Sr1 Li1 Cu2 As2 | P-3m1 | 164 | -0.000024 | 2026-02-11 22:12:08 | 1,064 | 3.042873 | 3.043571 | 2.663704 | 0.000698 | 0.379867 | 0.379169 | 0.379867 | -23.929424 | 1.417772 | 1.417118 | 1.052482 | -24.688782 | 0.006274 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1371644547690885, -0.0005348450128104, -0.0007496818106811], [-2.068207835164053, 3.5832010008958997, 0.0002687542088214], [0.0011610759744263, -0.0002921048827755, 7.170066947282522]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.205899380051744, -0.0002942716687017249, -0.0009015710861091874], [-2.102352984687594, 3.643274750646306, 0.00015475487795945593], [0.0009207354835767916, -0.0006803845304181661, 7.19892862079424]], "pbc": [true, true... | 1.295791 | 1.417772 | [
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0.024939... | 6 | 6 | 0.129798 | 0.496417 | 0.099944 | 0.453694 | mattergen | mattergen_base |
mtgn_4099386_CuF2 | Cu2 F4 | Cu2 F4 | P4_2/mnm | 136 | -0.000049 | 2026-02-11 22:50:04 | 1,064 | 0.872898 | 0.766191 | 0.716657 | 0.106707 | 0.049534 | 0.156242 | 0.156242 | -23.679318 | 0.871006 | 1.204138 | 1.30146 | -24.804201 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.1708416185817465, 0.1659706823452042, -0.0027380892100047], [2.867873112518329, 4.808740198501316, -0.007464479354439], [0.0057299480983393, 0.0054568778984653, 4.675843429736479]], "pbc": [true, true, true], "a": 3.1... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3819563814925835, -0.008512581237745585, -0.002704250281698014], [2.8004904375210886, 4.623810779933238, -0.00574431966920769], [0.005602717851682673, 0.006938450076316216, 4.6214922043604565]], "pbc": [true, true, tr... | 1.125535 | 1.30146 | [
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-0.1456... | 6 | 6 | 0.201868 | 0.467978 | 0.223592 | 0.388025 | mattergen | mattergen_base |
mtgn_1359749_Li2Pr1Al1Ge2 | Li2 Pr1 Al1 Ge2 | Li2 Pr1 Al1 Ge2 | P3m1 | 156 | -0.002909 | 2026-02-11 22:23:55 | 1,064 | 4.869875 | 4.871632 | 5.084858 | 0.001756 | 0.213226 | 0.214983 | 0.214983 | -26.215438 | 3.484822 | 3.484407 | 2.023705 | -24.705151 | 0.021766 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2951437371039765, -0.0016868234891208, 0.0006266343750183], [-2.1462734761383118, 3.720731826854015, -0.0010041808573698], [-0.0001727938352978, 0.0013752792445556, 6.916056443455348]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.366345159096816, -0.002213938897180309, 0.0010250805637804096], [-2.1822850126720432, 3.782769407795847, -0.0010562765800552288], [0.0004624025694653964, 0.0016846486363793955, 6.98170428583934]], "pbc": [true, true, ... | 2.997645 | 3.484822 | [
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0.070125... | 6 | 6 | 0.23751 | 1.022245 | 0.22214 | 0.998151 | mattergen | mattergen_base |
mtgn_3687751_Y2Al1Ni2 | Y2 Al1 Ni2 | Y4 Al2 Ni4 | Immm | 71 | -0.000002 | 2026-02-11 21:46:23 | 1,064 | 4.016787 | 3.624032 | 4.128973 | 0.392755 | 0.504941 | 0.112186 | 0.504941 | -30.275064 | 3.27513 | 4.371968 | 3.783677 | -30.923466 | 0.000871 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8216863266783174, -0.0032413718977091, -1.604390972222396], [-1.1036141854341606, 4.48787623653642, -2.6378123407500342], [-0.0181072570413865, -0.0263073002315764, 5.330823989962416]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.85328630820953, -0.001058766142937072, -1.613767662704759], [-1.1185384358298065, 4.548601918620989, -2.6732703486020437], [-0.0017897001216036963, -0.023314424771911636, 5.40125028885193]], "pbc": [true, true, true],... | 3.810259 | 4.371968 | [
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0.05999086... | 6 | 6 | 0.482786 | 2.271428 | 0.448215 | 2.215822 | mattergen | mattergen_base |
mtgn_6171532_ | Pr2 Si2 | Pr4 Si4 | Cmcm | 63 | -0.00001 | 2026-02-11 22:02:54 | 1,064 | 3.700074 | 4.62676 | 4.067225 | 0.926686 | 0.559535 | 0.367151 | 0.926686 | -26.771189 | 1.844004 | 2.987944 | 2.083128 | -23.344086 | 0.01695 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.998071028324005, -0.0039791626868101, -1.60716590293062], [0.0052254389890158, 3.8419694212684314, 0.0045103027687018], [0.0199869040727867, -0.0033594668255062, 5.824270075343553]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.158943419181713, -0.0049784468341531295, -1.6713815706926174], [0.004123875351625428, 3.976462701409851, 0.0034214005542324774], [-0.009194478186589429, -0.005258208064064669, 5.982456276331813]], "pbc": [true, true, ... | 2.305025 | 2.987944 | [
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-0.011775... | 6 | 6 | 0.220021 | 1.37211 | 0.177484 | 1.718228 | mattergen | mattergen_base |
mtgn_4118155_YCuSi2Pd | Y1 Cu1 Si2 Pd1 | Y2 Cu2 Si4 Pd2 | I-4m2 | 119 | -0.000008 | 2026-02-11 23:06:03 | 1,064 | 4.814292 | 4.784767 | 4.149209 | 0.029524 | 0.635559 | 0.665083 | 0.665083 | -30.089585 | 2.284033 | 2.274071 | 1.658413 | -30.522081 | 0.002749 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.759427764211935, 0.0080261156305439, -1.3923534097028503], [-0.5286733674688157, 3.7198765129370557, -1.397360532562757], [-0.0028713498976385, 0.0042705562156793, 5.751893309117008]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.798811156974065, 0.009495655503117923, -1.4087983973754756], [-0.5328098800739154, 3.7593678554443453, -1.4137787203615129], [-0.007352463536322751, -0.000712036583551801, 5.807763739878244]], "pbc": [true, true, true... | 2.072172 | 2.284033 | [
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-0.051222... | 6 | 6 | 0.184813 | 0.71091 | 0.192269 | 0.703203 | mattergen | mattergen_base |
mtgn_6232950_ | Sc1 H1 Pd2 Rh1 | Sc1 H1 Pd2 Rh1 | P4/mmm | 123 | -0 | 2026-02-11 22:34:05 | 1,064 | 5.585103 | 5.585371 | 5.950554 | 0.000267 | 0.365183 | 0.36545 | 0.36545 | -30.423126 | 1.543982 | 1.544043 | 1.078421 | -30.664845 | 0.000163 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.94964263548923, 4.86444383167e-05, -0.0006851029196296], [-0.0002380405348733, 3.9494540935110223, -0.0003737644425413], [0.0008134833829414, 3.7401745258e-05, 3.9968146337996266]], "pbc": [true, true, true], "a": 3.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0212587227935455, 8.382514837228735e-05, -0.0010327773040763146], [-0.0002080110052664161, 4.021720135969663, -0.00028524843732276073], [0.0004895509904330396, 0.00013474127536989541, 4.072090230175818]], "pbc": [true... | 1.388815 | 1.544043 | [
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0.005... | 6 | 6 | 0.841369 | 0.422239 | 0.793599 | 0.439972 | mattergen | mattergen_base |
mtgn_3677485_Pr1Ge3Ru1 | Pr1 Ge3 Ru1 | Pr2 Ge6 Ru2 | I4mm | 107 | -0.000001 | 2026-02-11 22:41:08 | 1,064 | 4.950628 | 4.887016 | 4.178401 | 0.063613 | 0.708615 | 0.772227 | 0.772227 | -32.126685 | 2.590429 | 2.582987 | 2.909319 | -30.690647 | 0.005999 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.066004392528043, 0.0062981051876192, -1.6018717860932545], [-0.6151147201190674, 4.016078726076741, -1.5945577500458792], [-0.0202155257692743, -0.0268535852341991, 5.932275920217647]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.124670521584706, -0.00223207044621015, -1.6213427654757413], [-0.6336108462182952, 4.078454373798536, -1.6167192043609706], [-0.022900292017235237, -0.03418161397552921, 5.998131146755724]], "pbc": [true, true, true],... | 2.694245 | 2.909319 | [
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0.0694601... | 6 | 6 | 0.484637 | 1.138793 | 0.459234 | 1.138568 | mattergen | mattergen_base |
mtgn_3495560_La2Si2Hg2 | La2 Si2 Hg2 | La4 Si4 Hg4 | C2/m | 12 | -0.000564 | 2026-02-11 21:53:05 | 1,064 | 4.45477 | 4.458733 | 4.485751 | 0.003963 | 0.027018 | 0.030981 | 0.030981 | -24.530504 | 3.723436 | 3.722392 | 3.18805 | -24.882345 | 0.014307 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.930776096526628, 0.0137656889423454, -0.6309759457559756], [-0.2042688190260579, 4.313811675108166, -1.1665463166534566], [0.1129868734993626, 0.0111984900046685, 8.555501452767926]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.887778410493468, 0.0005783731335908271, -0.6776611662126334], [-0.2020805871565316, 4.286482018782094, -1.1633584717546663], [0.07965581218239183, 0.13533332740578052, 8.99719415122799]], "pbc": [true, true, true], "a... | 3.544626 | 3.723436 | [
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-0.021... | 6 | 6 | 0.412398 | 1.734925 | 0.43145 | 1.79054 | mattergen | mattergen_base |
mtgn_2941797_Pr1Si2Pd2 | Pr1 Si2 Pd2 | Pr2 Si4 Pd4 | I4/mmm | 139 | -0.000003 | 2026-02-11 23:13:29 | 1,064 | 3.274188 | 3.263213 | 3.789758 | 0.010975 | 0.526545 | 0.515571 | 0.526545 | -32.294987 | 3.627617 | 3.683716 | 3.850892 | -30.640846 | 0.009212 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8672521372411595, 0.0002617633551441, -1.489003917839502], [-0.576590887006436, 3.8229695901652705, -1.4907330882974617], [0.0261968740996512, 0.0316798382104819, 5.789821881048162]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.974191169275613, -0.0010341201615347336, -1.5366343708567918], [-0.5937781299434947, 3.929074672077054, -1.5383038622520133], [-0.02731023126958687, -0.03040092480135042, 5.8338546320480935]], "pbc": [true, true, true... | 3.720742 | 3.850892 | [
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mtgn_6204732_ | Sr1 Ge2 Ru1 Rh1 | Sr2 Ge4 Ru2 Rh2 | I-4m2 | 119 | -0.00001 | 2026-02-11 22:38:23 | 1,064 | 4.924496 | 4.890875 | 4.274095 | 0.033621 | 0.61678 | 0.650401 | 0.650401 | -30.335408 | 2.457246 | 2.356684 | 1.529833 | -30.665308 | 0.007262 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9780343830636262, -0.000778734150761, -1.4706422506016934], [-0.5498429300923644, 3.940702565678963, -1.4690742875800822], [-0.0037642899155248, -0.006477753665687, 6.056565113231168]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.031782248165585, 0.0005031515550207787, -1.4972761500017033], [-0.5560211269478467, 3.995269261091719, -1.4957616222540624], [-0.019420883667014145, -0.02459921822575168, 6.12415214951769]], "pbc": [true, true, true],... | 2.114588 | 2.457246 | [
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0.0196911683... | 6 | 6 | 0.422711 | 0.419688 | 0.419941 | 0.379783 | mattergen | mattergen_base |
mtgn_6066112_ | La1 Si2 Pd2 | La2 Si4 Pd4 | I4/mmm | 139 | -0 | 2026-02-11 22:12:08 | 1,064 | 3.16733 | 3.171651 | 3.727225 | 0.004321 | 0.555574 | 0.559895 | 0.559895 | -30.799006 | 2.529086 | 2.560717 | 1.889261 | -30.800005 | 0.002518 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9638524284529355, 0.0006224140223379, -1.5506339908761757], [-0.6040571352736298, 3.918109684505167, -1.5479948262477645], [-0.0083524651681435, -0.0127426144233851, 5.774073850696827]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.009247925381056, -0.0029676746004081308, -1.5756869127132105], [-0.6144661483177949, 3.9627194259008283, -1.572839458643508], [-0.015641536477710927, -0.021023310340747982, 5.848870224798339]], "pbc": [true, true, tru... | 2.326355 | 2.560717 | [
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mtgn_3624486_Er1Co2Ge2 | Er1 Co2 Ge2 | Er2 Co4 Ge4 | I4/mmm | 139 | -0.000001 | 2026-02-11 22:31:04 | 1,064 | 3.949627 | 3.843244 | 3.002847 | 0.106384 | 0.840396 | 0.94678 | 0.94678 | -33.533104 | 3.931915 | 3.916327 | 3.400822 | -30.843073 | 0.000634 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6649095620812657, 0.0003260609637663, -1.3379326282464357], [-0.487739310209193, 3.6316977616226307, -1.33534136092559], [0.0254997316488465, 0.0312551367894923, 5.762670164667646]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.70643099488552, 0.0005051587034092345, -1.3525156038094959], [-0.4938150882978765, 3.6736434561528992, -1.3518768295083563], [0.004574508661668865, 0.004238624738297508, 5.767385611555081]], "pbc": [true, true, true],... | 3.749688 | 3.931915 | [
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0.082895343... | 6 | 6 | 0.482293 | 0.807648 | 0.479643 | 0.761829 | mattergen | mattergen_base |
mtgn_6067203_ | Ba1 As2 Ir1 Rh1 | Ba2 As4 Ir2 Rh2 | I-4m2 | 119 | -0 | 2026-02-11 21:07:02 | 1,064 | 3.934848 | 3.919166 | 3.648309 | 0.015682 | 0.270857 | 0.286539 | 0.286539 | -30.977332 | 2.452903 | 2.45403 | 1.534067 | -31.059942 | 0.00509 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.883185832633681, 0.0038809384513821, -1.1562611019917486], [-0.3472185135744168, 3.867504053896182, -1.1558232392961598], [0.0135103321495218, 0.0132492969835735, 7.06016299630674]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9381230959813998, 0.0013073271414644812, -1.1802041540361772], [-0.3547989518040329, 3.9224285700621087, -1.1799245806891938], [-0.016348160459993096, -0.01976057365313948, 7.105798137526076]], "pbc": [true, true, tru... | 2.147 | 2.45403 | [
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0.0609748458380... | 6 | 6 | 0.62033 | 0.302495 | 0.591269 | 0.301849 | mattergen | mattergen_base |
mtgn_6242625_ | Ba1 Co2 P2 | Ba2 Co4 P4 | I4/mmm | 139 | -0.000001 | 2026-02-11 20:57:20 | 1,064 | 3.75632 | 3.738897 | 3.331376 | 0.017422 | 0.407521 | 0.424943 | 0.424943 | -30.868204 | 2.33573 | 2.352967 | 2.670518 | -31.064247 | 0.001098 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.611023220079539, 0.0005641744111599, -1.0684388538328966], [-0.3137964766916811, 3.597778870986587, -1.0674327004243849], [0.0213106231831713, 0.0212663751994145, 6.746345960485412]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6453162523179765, 0.000259545561882386, -1.0751900288238805], [-0.3170155152897931, 3.631899995454002, -1.0739419617874482], [0.026215926955345487, 0.0270372604953535, 6.804869012868089]], "pbc": [true, true, true], "... | 2.453072 | 2.670518 | [
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0.09868136... | 6 | 6 | 0.342615 | 0.306295 | 0.363414 | 0.296588 | mattergen | mattergen_base |
mtgn_4106434_HfHgS2 | Hf1 Hg1 S2 | Hf3 Hg3 S6 | R-3m | 166 | -0.000042 | 2026-02-11 22:25:17 | 1,064 | 3.809357 | 3.814893 | 3.762777 | 0.005536 | 0.052116 | 0.04658 | 0.052116 | -23.030842 | 0.436924 | 0.374309 | 0.947625 | -23.245344 | 0.05664 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.53302188128137, -0.002584880574466, 0.668689256114126], [1.7045732240432234, 3.0943622481308655, 0.6719370403548746], [0.1396325737249578, 0.0867733791454679, 8.975608892216057]], "pbc": [true, true, true], "a": 3.595... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5803570947788157, -0.002964455513350868, 0.6792772940251923], [1.727473068229357, 3.1356841200874763, 0.6807642810474935], [-0.10756654243982998, -0.061854874934575865, 10.395812997246566]], "pbc": [true, true, true],... | 0.586286 | 0.947625 | [
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0.03260... | 6 | 6 | 0.47217 | 0.073826 | 0.360044 | 0.179291 | mattergen | mattergen_base |
mtgn_6099493_ | Y2 Cu1 Ni2 | Y4 Cu2 Ni4 | Immm | 71 | -0.000014 | 2026-02-11 23:47:20 | 1,064 | 4.14124 | 4.467178 | 4.336233 | 0.325938 | 0.130945 | 0.194992 | 0.325938 | -29.458119 | 3.377406 | 3.826353 | 3.426108 | -30.486088 | 0.00534 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.786739445020749, 0.0017979729732049, -1.6323340167776197], [-1.1285071929703565, 4.386513193571336, -2.6128612323586604], [0.0072036011903665, -0.0093701981001447, 5.2135346340757005]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.780024814414241, 0.0007156516104169372, -1.631448270270715], [-1.1506951749931777, 4.4734564543915685, -2.6645506270703345], [0.047677835968229505, -0.006359302775165226, 5.304620074905888]], "pbc": [true, true, true]... | 3.543289 | 3.826353 | [
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-0.0250... | 6 | 6 | 0.377579 | 3.304766 | 0.368681 | 3.178443 | mattergen | mattergen_base |
mtgn_3312930_Rb1P2H2Au1 | Rb1 P2 H2 Au1 | Rb1 P2 H2 Au1 | P-1 | 2 | -0.001857 | 2026-02-12 07:57:23 | 1,064 | 2.25459 | 2.967255 | 2.676193 | 0.712665 | 0.291062 | 0.421603 | 0.712665 | -23.28486 | 0.008693 | 0.028275 | 0.028399 | -23.379995 | null | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.264458737801749, 0.0436424838140756, 0.03532177788209], [-0.5931443586631583, 5.188610521843968, 2.1580138186613755], [0.0053117962238017, 0.1881922630716366, 5.767758915846584]], "pbc": [true, true, true], "a": 4.264... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.955900090797912, -0.11717573797817411, -0.1385294907132919], [-1.0012317920137526, 5.112699287839621, 2.478215917192656], [-0.2709300693534222, 0.48827861822915897, 5.850602008011751]], "pbc": [true, true, true], "a":... | 0.021789 | 0.028399 | [
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0... | 6 | 6 | 0.352739 | 0.227915 | 0.434956 | 0.221586 | mattergen | mattergen_base |
mtgn_583167_K1Ba1Ge4 | K1 Ba1 Ge4 | K1 Ba1 Ge4 | P-3m1 | 164 | -0.000967 | 2026-02-12 08:26:58 | 1,064 | 4.262285 | 4.270179 | 2.87481 | 0.007894 | 1.395369 | 1.387474 | 1.395369 | -22.750255 | 1.774365 | 1.774071 | 0.592735 | -23.185759 | 0.009721 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.196156468137484, -0.0012763405017531, -0.0023817124243644], [-2.0967963466719266, 3.635022785704055, -0.003176608483422], [0.0079081794322195, 0.00925796520703, 11.124609797658724]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2239640919155885, -0.0012294180352343238, -0.002338030148910546], [-2.1106442318886915, 3.6584892088101135, -0.003746956984277559], [0.008038398794341896, 0.007524554772329383, 11.050367152268642]], "pbc": [true, true... | 1.38039 | 1.774365 | [
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0.0592505... | 6 | 6 | 1.304102 | 1.409207 | 1.293268 | 1.396993 | mattergen | mattergen_base finetuned on dn (NOEMD), k_1065 and k_1500 (JARVIS) |
mtgn_6057345_ | Cs1 P2 Rh2 | Cs2 P4 Rh4 | I4/mmm | 139 | -0.000004 | 2026-02-12 02:53:04 | 1,064 | 3.838779 | 3.837722 | 3.406792 | 0.001057 | 0.43093 | 0.431987 | 0.431987 | -29.969144 | 0.648865 | 0.64993 | 0.673449 | -30.055958 | 0.00171 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.789491554371245, 0.00409763619884, -0.9971178144082034], [-0.2662599068586918, 3.7802290040366153, -0.9975746892462787], [0.0142350455496353, 0.0180713897444244, 7.756889617542399]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8357815617647875, 0.0025730872699617924, -1.0100118449813988], [-0.2709714209885833, 3.8251029281261606, -1.0100563186442155], [-0.008937339079968513, -0.005924664349001204, 7.7684185761055655]], "pbc": [true, true, t... | 0.657415 | 0.673449 | [
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0.012629... | 6 | 6 | 0.842585 | 0.146682 | 0.850978 | 0.155954 | mattergen | mattergen_base |
mtgn_3065031_K1As2Ru1Rh1 | K1 As2 Ru1 Rh1 | K2 As4 Ru2 Rh2 | I-4m2 | 119 | -0.000008 | 2026-02-12 06:17:08 | 1,064 | 4.7172 | 4.700793 | 3.890015 | 0.016407 | 0.810778 | 0.827185 | 0.827185 | -29.624294 | 0.93599 | 0.929652 | 0.59289 | -29.679996 | 0.006902 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8870616967206018, 0.0003604683220957, -1.135345703308619], [-0.3308666301604542, 3.8736761785610994, -1.1351995510925839], [-0.0226274666289465, -0.024395310223855, 7.151096875229031]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9328050208477077, -0.0004084057873987369, -1.149570066406288], [-0.33529289125849565, 3.920539063879732, -1.1486076832285008], [-0.018390752430354356, -0.01825159056313883, 7.256170474494054]], "pbc": [true, true, tru... | 0.81951 | 0.93599 | [
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0.02454492067... | 6 | 6 | 0.698051 | 0.153223 | 0.688892 | 0.151518 | mattergen | mattergen_base |
mtgn_4012134_Lu2Co2Sn | Lu2 Co2 Sn1 | Lu4 Co4 Sn2 | Cmmm | 65 | -0.000153 | 2026-02-12 07:34:06 | 1,064 | 3.932664 | 4.183543 | 4.515058 | 0.250879 | 0.331515 | 0.582394 | 0.582394 | -28.968499 | 3.585533 | 4.129036 | 3.140868 | -29.485924 | 0.005639 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5811122429501996, 0.001553682080753, -0.994495900118328], [-0.0014889234027793, 3.7552941662856654, 0.00040513073629], [0.0004272583464563, -0.0010479314786066, 6.9305458130595]], "pbc": [true, true, true], "a": 3.716... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.645690850086022, 0.0018626803951076302, -1.0131031439241365], [-0.0011342467756298561, 3.8212931422405827, 0.0007252578186961673], [-0.020569976969280274, -0.0004913296160246283, 6.984569667628011]], "pbc": [true, tru... | 3.618479 | 4.129036 | [
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-0.0064209693003... | 6 | 6 | 0.591141 | 1.119211 | 0.517454 | 0.952741 | mattergen | mattergen_base |
mtgn_6108603_ | Y3 Mg2 Hg1 | Y3 Mg2 Hg1 | P4/mmm | 123 | -0.000003 | 2026-02-12 00:23:31 | 1,064 | 5.126306 | 5.122902 | 3.474 | 0.003405 | 1.648902 | 1.652306 | 1.652306 | -23.973297 | 2.403397 | 2.402545 | 3.931333 | -24.358347 | 0.006672 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.76136444195462, -0.002161540214238, 0.0012580783903418], [0.0016976282100908, 3.7618455075066675, 0.0024618459962852], [-0.0035954762779883, -0.0080147237807541, 10.983785273274659]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.792849519178856, -0.001952026564622997, 0.0012584547827775275], [0.00193908809341711, 3.792728367601824, 0.00268507009953391], [-0.0036979130157608854, -0.007599182712498778, 11.214231232891153]], "pbc": [true, true, ... | 2.912425 | 3.931333 | [
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-0.0527806... | 6 | 6 | 0.68622 | 2.283824 | 0.648557 | 2.181488 | mattergen | mattergen_base |
mtgn_6048184_ | Y2 Zn2 In2 | Y2 Zn2 In2 | P6_3mc | 186 | -0.003713 | 2026-02-12 04:06:05 | 1,064 | 4.842035 | 4.840797 | 8.319698 | 0.001239 | 3.478901 | 3.477663 | 3.478901 | -23.052785 | 3.359971 | 3.35893 | 2.959675 | -23.793156 | 0.00432 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.629840819435206, 0.0019855496771826, -0.0001191283505021], [-2.3170692488516114, 4.008169391605469, 0.0009966218034028], [0.0013189702264505, -0.0011041103120669, 7.214864174219409]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.661373547233814, 0.0022505821934733507, -0.0004615537441593081], [-2.3326326481643553, 4.035692552677687, 0.000993892050047597], [0.0008061621415551638, -0.0014541540808994805, 7.354003118006901]], "pbc": [true, true,... | 3.226192 | 3.359971 | [
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-0.0369... | 6 | 6 | 0.307738 | 1.301648 | 0.298764 | 1.220131 | mattergen | mattergen_base |
mtgn_6218647_ | Ba2 Sb4 | Ba2 Sb4 | P2_1/m | 11 | -0.000028 | 2026-02-11 23:27:20 | 1,064 | 5.234946 | 3.687162 | 5.024108 | 1.547784 | 1.336946 | 0.210838 | 1.547784 | -24.673667 | 1.539987 | 1.213576 | 2.161797 | -24.475136 | 0.017866 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.414738771886177, -0.0110549339872786, 0.0056904345762214], [0.0140706573138716, 5.095907386473035, -1.0227631403615407], [-0.011810077732507, -0.0094088636703762, 9.412587101988805]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.5467634871292155, -0.009989246326982388, 0.00499086351275063], [0.015779942915152435, 5.070614125282026, -1.0048084581340144], [-0.013698034803383493, 0.05352030106733634, 9.552932305045333]], "pbc": [true, true, true... | 1.638453 | 2.161797 | [
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0.0175419257... | [
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0.02356188... | 1 | 1 | 0.609178 | 0.846947 | 0.560233 | 0.894005 | mattergen | mattergen_base |
mtgn_6121379_ | Ba1 Ni1 As2 Ir1 | Ba2 Ni2 As4 Ir2 | I-4m2 | 119 | -0.000003 | 2026-02-12 09:48:08 | 1,064 | 2.924921 | 2.949779 | 3.228958 | 0.024858 | 0.279179 | 0.304037 | 0.304037 | -28.555014 | 2.677081 | 2.67776 | 2.214987 | -29.104733 | 0.005396 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8951202611646414, -0.0041898442704163, -1.1825880520438585], [-0.3665338852531647, 3.878386339172354, -1.1806355325908764], [-0.0115822793530068, -0.0161758610381182, 6.875668889143621]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.895063414084943, -0.00045318699638074425, -1.191476702361926], [-0.3631290260681606, 3.882373251521969, -1.1905629965718016], [0.01279015731408103, 0.00863077613777216, 7.007547944211133]], "pbc": [true, true, true], ... | 2.523276 | 2.67776 | [
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0.0662857779... | 6 | 6 | 0.496852 | 0.297109 | 0.48103 | 0.2817 | mattergen | mattergen_base |
mtgn_6063082_ | Sc2 Zn2 Ga2 | Sc2 Zn2 Ga2 | P-6m2 | 187 | -0.000012 | 2026-02-11 23:37:00 | 1,064 | 5.37464 | 5.374417 | 6.831138 | 0.000223 | 1.456721 | 1.456498 | 1.456721 | -23.609491 | 2.416869 | 2.416187 | 5.386079 | -24.414829 | 0.003715 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.254390576626852, -0.0064542224362856, 0.0036050185246243], [-2.1215076066444776, 3.687496957518601, 0.0020362427016637], [-0.0057067959693474, -0.0063246085445798, 6.4628827630468]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.30433567952494, -0.00620282026200353, 0.0037367354075801933], [-2.1461294832698887, 3.7308928630890636, 0.0019271760193975212], [-0.005725908320071856, -0.006657732902794863, 6.639981451679486]], "pbc": [true, true, t... | 3.406378 | 5.386079 | [
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-0.02679521... | 6 | 6 | 0.669335 | 1.267825 | 0.645579 | 1.141705 | mattergen | mattergen_base |
mtgn_6201820_ | Na1 Ce1 S2 | Na3 Ce3 S6 | R-3m | 166 | -0.000009 | 2026-02-12 09:43:44 | 1,064 | 2.121719 | 2.114778 | 2.252687 | 0.006941 | 0.137908 | 0.130967 | 0.137908 | -22.456278 | 0.215391 | 0.235769 | 0.064789 | -22.467947 | 0.007504 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9086514447526826, -0.0004717104287374, 1.1991903627372698], [1.7710375422816664, 3.4844650266523143, 1.199084410795445], [-0.0040564363254276, -0.0029577282756738, 6.988917922130654]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.945268199619742, -0.000515973609602222, 1.210380355773578], [1.787621920137091, 3.517228979238406, 1.210180261480656], [-0.02096535109619041, -0.013519443380972624, 7.109131780740233]], "pbc": [true, true, true], "a":... | 0.171983 | 0.235769 | [
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0.040677424... | 6 | 6 | 0.0979 | 0.038003 | 0.109222 | 0.048 | mattergen | mattergen_base |
mtgn_6044092_ | Y2 S1 Br2 | Y6 S3 Br6 | R-3m | 166 | -0.000043 | 2026-02-12 06:20:56 | 1,064 | 1.217606 | 1.223941 | 3.015081 | 0.006335 | 1.79114 | 1.797475 | 1.797475 | -29.682529 | 4.118903 | 4.163968 | 0.244156 | -29.70504 | 0.052282 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8733601840994782, 0.0002593362004999, 0.7233228679107373], [1.867902701418498, 3.3921181469634774, 0.7251643939353305], [0.1389976419688903, 0.0842646360937451, 9.949346915767485]], "pbc": [true, true, true], "a": 3.9... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.926929917435227, 0.0006284623956064995, 0.7349836752043547], [1.8942777918220588, 3.4395918004559256, 0.7356672015371305], [0.04318681056895782, 0.023747185525198576, 10.634009477279395]], "pbc": [true, true, true], "... | 2.842342 | 4.163968 | [
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0.02199705... | 6 | 6 | 0.295254 | 0.679412 | 0.344104 | 0.692729 | mattergen | mattergen_base |
mtgn_3321712_Hf1Al3 | Hf1 Al3 | Hf1 Al3 | Pm-3m | 221 | -0 | 2026-02-12 05:26:11 | 1,064 | 4.082713 | 4.075964 | 4.092195 | 0.00675 | 0.016232 | 0.009482 | 0.016232 | -22.646512 | 1.467088 | 1.468904 | 1.465082 | -22.7868 | 0.000089 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.052595531877677, 0.0016133125475323, -0.0011813513692787], [-0.0017985578968384, 4.053425534191887, -0.0009179720130305], [0.0008550422103993, 0.0009058116031804, 4.051391977687777]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.095106409922397, 0.0012569298579485917, -0.0013051513347530645], [-0.0021911683881584883, 4.096667276889062, -0.0011702276015780767], [0.0007524548969167551, 0.0006727800255905383, 4.093376844107077]], "pbc": [true, t... | 1.467025 | 1.468904 | [
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0.153351... | 6 | 6 | 0.309626 | 1.930504 | 0.308854 | 1.958268 | mattergen | mattergen_base |
mtgn_1041913_K1Sc1S2 | K1 Sc1 S2 | K3 Sc3 S6 | R-3m | 166 | -0.000014 | 2026-02-12 07:26:54 | 1,064 | 2.735426 | 2.747229 | 2.46683 | 0.011804 | 0.280399 | 0.268596 | 0.280399 | -22.478259 | 0.021295 | 0.021676 | 0.012283 | -22.684872 | 0.002377 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6707121991126295, -0.0014203357202775, 0.9600706475248378], [1.7110369938307257, 3.247732656333999, 0.9601088046864443], [-0.0166597894472159, -0.008917076756928, 7.560650574968991]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.721718062277611, -0.001869501714792546, 0.9730159165899012], [1.734537191940789, 3.2929236861398237, 0.9726547497461361], [-0.013572195038657697, -0.007969764421543391, 7.649920297057171]], "pbc": [true, true, true], ... | 0.018418 | 0.021676 | [
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0.0392362073... | 6 | 6 | 0.142242 | 0.096086 | 0.165877 | 0.09618 | mattergen | mattergen_base finetuned on Lusya's data (760 materials) |
mtgn_4073259_BaInPd | Ba2 In2 Pd2 | Ba4 In4 Pd4 | C2/m | 12 | -0.000011 | 2026-02-12 09:36:19 | 1,064 | 3.66763 | 4.03352 | 3.363092 | 0.36589 | 0.670428 | 0.304538 | 0.670428 | -22.834605 | 3.342486 | 3.393314 | 3.112151 | -23.153027 | 0.023396 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.39893126377254, 0.0075909045603728, -1.6034596156053846], [-0.392974683802807, 5.842652798440445, -1.0790960689711382], [-0.006016095855186, 0.0591442494800442, 6.735706044867374]], "pbc": [true, true, true], "a": 4.6... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.487062800466644, 0.001546792956845168, -1.6480375820915845], [-0.41659584026474544, 5.904381619627523, -1.1301781079878144], [-0.04252467416779761, 0.014261407457734255, 6.823331556253878]], "pbc": [true, true, true],... | 3.28265 | 3.393314 | [
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-0.05358... | 6 | 6 | 0.279656 | 1.6962 | 0.292666 | 1.641503 | mattergen | mattergen_base |
mtgn_6104853_ | Ba1 Sr1 Al2 Si2 | Ba1 Sr1 Al2 Si2 | P-3m1 | 164 | -0.000008 | 2026-02-12 01:46:50 | 1,064 | 4.462389 | 4.462035 | 3.736768 | 0.000354 | 0.725268 | 0.725622 | 0.725622 | -24.2185 | 0.675513 | 0.676283 | 2.034486 | -24.288403 | 0.007315 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2604828756378605, -0.0010252373753841, 0.0005315689030583], [-2.1294174842246547, 3.690344151538649, -0.0001912211538761], [-0.0014812807595634, 0.0002542324841858, 9.85953933761988]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2853332057708515, -0.0012730618608051809, 0.0005136104559264554], [-2.1420472633799967, 3.7119396791138346, -0.0002384387859911657], [-0.0015546633361992858, 0.00010298496162923998, 10.02574353277434]], "pbc": [true, ... | 1.128761 | 2.034486 | [
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0.023550933... | [
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0.027031342... | 6 | 6 | 0.340808 | 0.57416 | 0.334901 | 0.57179 | mattergen | mattergen_base |
mtgn_6070824_ | Sc2 Ga1 Ni2 | Sc4 Ga2 Ni4 | Immm | 71 | -0.000001 | 2026-02-12 00:38:24 | 1,064 | 4.127975 | 4.521789 | 4.355592 | 0.393814 | 0.166197 | 0.227617 | 0.393814 | -29.280018 | 2.621503 | 3.203853 | 2.985495 | -30.295156 | 0.000692 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7304555042898753, 0.0076295771583319, 1.6431544740282102], [1.2030916363561128, 4.182909243969056, 2.3355283939575644], [0.0649994625318321, -0.0300228783996325, 4.939012783522082]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.753570508809137, 0.0038082934019166357, 1.6477834892293444], [1.1801694101138576, 4.255274775774489, 2.4011042285048814], [0.032890165434921896, 0.006790678469451102, 5.026738557483262]], "pbc": [true, true, true], "a... | 2.936951 | 3.203853 | [
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0.034800... | 6 | 6 | 0.878558 | 1.450315 | 0.794788 | 1.283402 | mattergen | mattergen_base |
mtgn_6144139_ | Na1 Ge2 Ir1 Rh1 | Na2 Ge4 Ir2 Rh2 | C2 | 5 | -0.000006 | 2026-02-12 10:35:50 | 1,064 | 4.540891 | 4.476362 | 3.956381 | 0.06453 | 0.519981 | 0.58451 | 0.58451 | -28.538406 | 1.790948 | 1.953718 | 1.332948 | -28.959743 | 0.005757 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8793827470794016, 0.012533873993982, -1.4012824826726784], [-0.5148761142485337, 3.845828204903392, -1.398991044071172], [0.0053097597624106, 0.0030496888846208, 5.866652125770328]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.896632447487717, 0.00020664326225506308, -1.437144465554992], [-0.5293520145585767, 3.86023432181238, -1.4345736407145906], [0.013121942907115915, 0.012311022940603742, 6.037426012970879]], "pbc": [true, true, true], ... | 1.692538 | 1.953718 | [
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-0.00187... | 6 | 6 | 0.86754 | 0.218888 | 0.800946 | 0.202248 | mattergen | mattergen_base |
mtgn_6052973_ | K1 As2 Ir1 Rh1 | K2 As4 Ir2 Rh2 | I-4m2 | 119 | -0.000002 | 2026-02-12 08:05:22 | 1,064 | 3.888459 | 3.891804 | 4.137081 | 0.003345 | 0.245277 | 0.248622 | 0.248622 | -29.174812 | 1.002055 | 1.012641 | 0.793941 | -29.241224 | 0.010514 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8623401544613407, 0.0015742796611147, -1.1041966189975483], [-0.3150807917525894, 3.848179806064854, -1.1065947335693986], [-0.0310950153107664, -0.0278701136313835, 7.202082058171802]], "pbc": [true, true, true], "a"... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.893975743404963, 0.0003203468493279204, -1.1126201342193327], [-0.31926733182228995, 3.8817492166877523, -1.1162356306120174], [0.012662536201056738, 0.01754787652977098, 7.411037130612114]], "pbc": [true, true, true]... | 0.936212 | 1.012641 | [
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0.03730249475718... | 6 | 6 | 0.944908 | 0.195229 | 0.856209 | 0.192176 | mattergen | mattergen_base |
mtgn_4038738_SrHCl | Sr2 H2 Cl2 | Sr2 H2 Cl2 | P4/nmm | 129 | -0.000004 | 2026-02-12 08:51:04 | 1,064 | 1.959364 | 1.959364 | 1.9638 | 0 | 0.004436 | 0.004436 | 0.004436 | -23.0771 | 0.002807 | 0.002807 | 0.003081 | -23.175558 | 0.003582 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.087476312838652, 0.0006611094388656, 0.0009871219282289], [-0.000804035374582, 4.0875040293289615, 0.0016696035554226], [-0.0017815745753594, -0.0028511455618378, 6.97667231411562]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.147680128882848, 0.0007434105423116894, 0.0014342066379535226], [-0.0007431638880945573, 4.147703404945492, 0.0018069936792070626], [-0.0010446492191231594, -0.0026608980507583364, 6.985267184905899]], "pbc": [true, t... | 0.002898 | 0.003081 | [
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-0.0319... | 6 | 6 | 0.088303 | 0.105114 | 0.082148 | 0.104711 | mattergen | mattergen_base |
mtgn_3255731_Nd1Ge3Rh1 | Nd1 Ge3 Rh1 | Nd2 Ge6 Rh2 | I4mm | 107 | -0.000006 | 2026-02-12 08:01:05 | 1,064 | 4.846656 | 4.796578 | 4.680274 | 0.050078 | 0.116304 | 0.166382 | 0.166382 | -31.950475 | 2.897874 | 2.966354 | 3.120651 | -29.282694 | 0.003028 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.062025496163556, -0.0020400928806432, -1.6210708508028706], [-0.6514176038846472, 4.010361014141687, -1.6197716396597848], [0.017829970095323, 0.0195358032427906, 5.928025612939247]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.09985946087221, 0.0003658953506276147, -1.6389872069535807], [-0.6550919696086184, 4.047396624228112, -1.637675470737116], [0.01384116936671234, 0.014834605422616633, 5.983115258064981]], "pbc": [true, true, true], "a... | 2.99496 | 3.120651 | [
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0.079150167360... | 6 | 6 | 0.427596 | 0.790651 | 0.400863 | 0.752856 | mattergen | mattergen_base |
mtgn_4160783_RbSbPd | Rb2 Sb2 Pd2 | Rb4 Sb4 Pd4 | C2/m | 12 | -0.000849 | 2026-02-12 07:53:09 | 1,064 | 3.22077 | 3.527256 | 3.023455 | 0.306485 | 0.503801 | 0.197315 | 0.503801 | -23.332451 | 2.188141 | 1.302741 | 0.298797 | -23.258244 | 0.01895 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.697904713797662, -0.0048763897339006, -0.0017044043741769], [-2.346630511248419, 5.91319182628637, -0.8068220602209626], [0.0040404333637647, -0.0011363674740804, 6.5912407304868665]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.763213019920239, -0.005014225045540638, -0.003158587130595842], [-2.379093823593331, 5.992659911832861, -0.8112746676780433], [0.0020712031119219537, 0.021809055668951197, 6.804341720720487]], "pbc": [true, true, true... | 1.263226 | 2.188141 | [
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-0.0... | 6 | 6 | 0.752984 | 0.130759 | 0.672843 | 0.101899 | mattergen | mattergen_base |
mtgn_1320528_Nd1Mn1Ge3 | Nd1 Mn1 Ge3 | Nd2 Mn2 Ge6 | I4mm | 107 | -0.000002 | 2026-02-12 04:57:21 | 1,064 | 5.112691 | 5.174664 | 4.603315 | 0.061974 | 0.57135 | 0.509376 | 0.57135 | -32.184717 | 2.697445 | 2.685005 | 2.80084 | -29.836975 | 0.01099 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0127167326942255, -0.0049949167193151, -1.5738400098284417], [-0.6077953048468354, 3.9878237062455404, -1.582066197623113], [-0.0280572133490268, -0.0469695039795359, 5.836328961582288]], "pbc": [true, true, true], "a... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.0606987370914975, -0.008702512053844116, -1.5912981880357195], [-0.6156741199204069, 4.013892913702969, -1.591814575383448], [-0.013519211873451727, -0.018648211607593366, 5.938779635467929]], "pbc": [true, true, true... | 2.727763 | 2.80084 | [
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0.11248788138... | 6 | 6 | 0.438395 | 1.874489 | 0.421513 | 1.868117 | mattergen | mattergen_base |
mtgn_6212748_ | Na2 Pd3 Pb1 | Na6 Pd9 Pb3 | R-3m | 166 | -0.000007 | 2026-02-12 07:05:44 | 1,064 | 3.471868 | 3.400416 | 3.753766 | 0.071451 | 0.353349 | 0.281898 | 0.353349 | -23.391206 | 4.266997 | 3.960206 | 5.217907 | -23.427942 | 0.002952 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.787238793279061, 0.0154498581619264, 2.5055863866135346], [1.5296996132607807, 4.535269739441979, 2.5080202449971654], [0.0251558615661077, 0.0167941593791025, 5.402373553235222]], "pbc": [true, true, true], "a": 5.40... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.889188457602639, 0.0049939217341162636, 2.5434852852003953], [1.5521498275173538, 4.635771768858182, 2.5457637956189676], [0.01161839622967203, 0.0067600410394134305, 5.510960001990644]], "pbc": [true, true, true], "a... | 4.481704 | 5.217907 | [
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mtgn_6128419_ | Ce2 Zn2 Ga2 | Ce4 Zn4 Ga4 | Imm2 | 44 | -0.000002 | 2026-02-12 08:54:55 | 1,064 | 4.641377 | 4.859291 | 4.8387 | 0.217914 | 0.020591 | 0.197322 | 0.217914 | -22.576693 | 4.020197 | 4.064358 | 4.078089 | -23.208851 | 0.006195 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.1180534365089345, -0.004115626493906, 1.7835052292606388], [1.9617480841000325, 5.214799474879486, 1.1311105409878683], [-0.0159461976642016, 0.050166254434218, 5.685041771748828]], "pbc": [true, true, true], "a": 4.4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.206248205231304, -0.00455140656933326, 1.8213253014820814], [1.9845639732856013, 5.268414051632521, 1.1982770097286362], [0.005668811834654708, 0.10052797909890443, 5.754997500202584]], "pbc": [true, true, true], "a":... | 4.054215 | 4.078089 | [
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-0.029... | 6 | 6 | 0.590219 | 1.834695 | 0.563964 | 1.721794 | mattergen | mattergen_base |
mtgn_3679968_Cs1As2Ir1Rh1 | Cs1 As2 Ir1 Rh1 | Cs2 As4 Ir2 Rh2 | I-4m2 | 119 | -0.000008 | 2026-02-12 10:22:52 | 1,064 | 3.740665 | 3.739776 | 3.45946 | 0.000889 | 0.280316 | 0.281205 | 0.281205 | -29.049668 | 0.669012 | 0.666577 | 0.754959 | -29.018669 | 0.007345 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.887833169376079, 0.0004628360340023, -1.0172776534113792], [-0.26652278370341, 3.879582596785379, -1.0172129766835376], [0.0018606431658418, -3.67210498921e-05, 7.939452056039971]], "pbc": [true, true, true], "a": 4.0... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.921840466189055, 0.00031346978555323593, -1.0265996230237369], [-0.26857473444591207, 3.908231286487126, -1.0248828921944315], [0.030529158090301232, 0.034057948075943034, 8.121837007165524]], "pbc": [true, true, true... | 0.696849 | 0.754959 | [
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0.00775808... | 6 | 6 | 1.169336 | 0.156514 | 1.121528 | 0.153758 | mattergen | mattergen_base |
mtgn_3312089_Be2Cl4 | Be2 Cl4 | Be4 Cl8 | Ibam | 72 | -0.000004 | 2026-02-12 06:38:44 | 1,064 | 1.715664 | 1.731849 | 1.707543 | 0.016186 | 0.024307 | 0.008121 | 0.024307 | -23.427031 | 0.001253 | 0.001299 | 0.00123 | -23.456636 | 0.042746 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.946354921968861, -0.1807554245775849, -1.8995830199240862], [-2.8148100278236785, 3.9090235296625537, -2.0049569851062694], [0.132231631697609, -0.1770935628660757, 6.238568918404546]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[6.406943637401221, -0.01019101673755789, -2.1745744820604553], [-2.829973754357461, 3.9359809762083953, -2.0134116919358283], [0.022409933830636337, -0.0013458218991404518, 6.7649535988996385]], "pbc": [true, true, true... | 0.001261 | 0.001299 | [
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mtgn_6139561_ | K1 Co2 P2 | K2 Co4 P4 | I4/mmm | 139 | -0.000006 | 2026-02-12 10:33:08 | 1,064 | 4.168197 | 4.156894 | 3.298178 | 0.011303 | 0.858715 | 0.870019 | 0.870019 | -28.897246 | 1.971944 | 1.96707 | 1.615574 | -29.015251 | 0.0065 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.510990056931794, -0.0013416821341214, -0.9452740761365076], [-0.2523944898202901, 3.5019740323953665, -0.9451801736442158], [0.0250696924757569, 0.0261969591819918, 7.081023821214325]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.574122176163484, -0.002257427500537488, -0.9627857084458485], [-0.25790563810314854, 3.565760127797664, -0.9630004481510637], [-0.001146866451429086, -0.002599261848023383, 7.113277661314041]], "pbc": [true, true, tru... | 1.851529 | 1.971944 | [
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0.066864754... | 6 | 6 | 0.401481 | 0.138106 | 0.482067 | 0.137137 | mattergen | mattergen_base |
mtgn_2942276_Li1La1Mg2Si2 | Li1 La1 Mg2 Si2 | Li1 La1 Mg2 Si2 | P-3m1 | 164 | -0.00228 | 2026-02-12 06:27:45 | 1,064 | 6.932715 | 6.932481 | 6.505284 | 0.000234 | 0.427197 | 0.427431 | 0.427431 | -23.260279 | 3.257966 | 3.258343 | 1.657775 | -23.456774 | 0.007256 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.476176332414925, -0.0080914257039617, -0.0027519737998287], [-2.2310840739592903, 3.880413696144266, 0.0007129597727278], [0.0043782897470141, 0.0015151761058367, 7.079785147866245]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.515246497758823, -0.009776362556963441, -0.001848354519418396], [-2.251958065311069, 3.914218836316677, -0.00016796591169064508], [0.005891600764713151, 0.0007470691133225513, 7.142925394684817]], "pbc": [true, true, ... | 2.724695 | 3.258343 | [
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-0.036643... | 6 | 6 | 0.41355 | 0.593874 | 0.39807 | 0.575562 | mattergen | mattergen_base |
mtgn_3253604_Lu2Ni2 | Lu2 Ni2 | Lu4 Ni4 | Cmcm | 63 | -0.000003 | 2026-02-12 07:46:04 | 1,064 | 4.629716 | 3.882132 | 5.760289 | 0.747584 | 1.878157 | 1.130573 | 1.878157 | -21.867979 | 3.338498 | 2.446272 | 2.951258 | -22.735012 | 0.004497 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.3359964721014634, 0.0018637214178543, -1.2229995407296788], [-0.0027145869743401, 4.13921584664226, -0.0010794501142498], [0.0181060374052461, 0.0012481970154401, 5.214654096157022]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4252852256804003, 0.0019649110515246064, -1.2551300821770575], [-0.0026424543420247378, 4.09847435469596, -0.0011142490532110004], [-0.00023307598161816995, 0.0011981116215947323, 5.300321180757613]], "pbc": [true, tr... | 2.91201 | 3.338498 | [
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-0.0306... | 6 | 6 | 1.06458 | 2.51963 | 1.066099 | 2.432955 | mattergen | mattergen_base |
mtgn_6232445_ | Na1 P2 Rh2 | Na2 P4 Rh4 | I4/mmm | 139 | -0.000005 | 2026-02-12 01:25:04 | 1,064 | 3.415607 | 3.504301 | 4.96595 | 0.088694 | 1.461649 | 1.550343 | 1.550343 | -30.100727 | 2.07559 | 2.177367 | 2.80613 | -30.249977 | 0.004622 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.720809050246846, 0.0350052551256675, -1.4338122383927032], [-0.5932462000318633, 3.6705427771789485, -1.4411041416335852], [0.0006248400675211, 0.0104651498510273, 5.507242699723392]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7503593912995923, 0.036544091683325404, -1.452269228162541], [-0.5966065749473376, 3.699841885270652, -1.4593727255738853], [0.021244777580307028, 0.03553203845242678, 5.632100834572753]], "pbc": [true, true, true], "... | 2.353029 | 2.80613 | [
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0.01632558... | 6 | 6 | 0.662487 | 0.080068 | 0.629573 | 0.097999 | mattergen | mattergen_base |
mtgn_6066950_ | La2 Tl1 Rh2 | La4 Tl2 Rh4 | Cmmm | 65 | -0.000014 | 2026-02-12 00:45:10 | 1,064 | 4.451783 | 4.615635 | 3.735885 | 0.163853 | 0.87975 | 0.715897 | 0.87975 | -29.674116 | 2.962308 | 2.793418 | 3.182552 | -30.298471 | 0.008492 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9569516507711993, -0.0004014919281071, -2.5990612723e-06], [0.0003879551705372, 3.8236214791475653, -1.0114014998715608], [0.0002563827741534, 0.0358088825183917, 7.904845943341821]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.951951800777925, -0.00044832680519110317, -0.00010233644567047607], [0.00038618477093100976, 3.9803305379720597, -1.050266345533685], [5.266033495855999e-05, -0.016102685575843077, 8.007231823417419]], "pbc": [true, t... | 2.979426 | 3.182552 | [
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mtgn_770815_Nd1Ga2Rh2 | Nd1 Ga2 Rh2 | Nd2 Ga4 Rh4 | I4/mmm | 139 | -0.000003 | 2026-02-12 06:48:54 | 1,064 | 4.569297 | 4.44348 | 3.52968 | 0.125818 | 0.913799 | 1.039617 | 1.039617 | -31.878713 | 3.6711 | 3.584747 | 4.058059 | -29.574373 | 0.007586 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9217743347518588, 0.0027661308684386, -1.5294931200368833], [-0.5952872208925211, 3.875976599019247, -1.5337242852579918], [0.034398080631737, 0.0357320635335933, 5.880447007390148]], "pbc": [true, true, true], "a": 4... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.013604439486932, -0.00012173172423033893, -1.5654524329939479], [-0.6107358429422144, 3.9665175186063233, -1.5661702234852795], [-0.0009393717550441336, -0.00014357726306660107, 5.926074022199663]], "pbc": [true, true... | 3.771302 | 4.058059 | [
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mtgn_1389772_Li3La1Pd2 | Li3 La1 Pd2 | Li3 La1 Pd2 | P-3m1 | 164 | -0.000514 | 2026-02-12 02:54:05 | 1,064 | 3.29178 | 3.291722 | 3.308981 | 0.000058 | 0.017259 | 0.017201 | 0.017259 | -23.684054 | 4.174747 | 4.181535 | 3.349113 | -23.949482 | 0.010011 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.189970779555532, -0.0043378185316149, -0.000266250520435], [-2.09245201046586, 3.6320113124961324, -0.0005866032944797], [0.0002330498282546, -7.28930949309e-05, 6.915555168177839]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2973564100026245, -0.0036911344139789162, -0.0002067577599785], [-2.1454242607359593, 3.7239029068185823, -0.0004874293623198642], [0.0003452585521734048, 0.00019253980214466344, 7.014637720455879]], "pbc": [true, tru... | 3.901798 | 4.181535 | [
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-0.066... | 6 | 6 | 0.160565 | 1.895593 | 0.130741 | 1.862782 | mattergen | mattergen_base |
mtgn_3528407_Li1Nd1Ga2Au2 | Li1 Nd1 Ga2 Au2 | Li1 Nd1 Ga2 Au2 | P-3m1 | 164 | -0.000066 | 2026-02-12 10:31:07 | 1,064 | 4.002382 | 4.005547 | 3.250304 | 0.003166 | 0.755243 | 0.752077 | 0.755243 | -25.655557 | 3.71986 | 3.713625 | 4.716066 | -23.106373 | 0.014123 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.452824480884016, -0.0053708572673249, 0.0054304653579804], [-2.2218247254987773, 3.858625625352402, 0.0015308523934277], [-0.0054177270178564, -0.0085376263135991, 6.6697143516126065]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.4773684836894105, -0.0054878934945702075, 0.004382280402742498], [-2.23414806152471, 3.880354298805913, 0.0023698901219936287], [-0.007471447491663238, -0.008257654133419754, 6.8970880449673]], "pbc": [true, true, tru... | 4.04985 | 4.716066 | [
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-0.015... | 6 | 6 | 0.404378 | 1.696846 | 0.386494 | 1.733485 | mattergen | mattergen_base |
mtgn_6125864_ | Ga2 Ni1 Ru1 | Ga2 Ni1 Ru1 | P4/mmm | 123 | -0 | 2026-02-12 09:00:44 | 1,064 | 6.207716 | 5.412346 | 5.41559 | 0.79537 | 0.003244 | 0.792125 | 0.79537 | -22.097738 | 1.666684 | 2.923233 | 2.924298 | -22.562908 | 0.000281 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0210997756679894, -0.0015174359194972, 0.0009729477624675], [0.001810839762528, 4.106418039391157, -0.0006327584986392], [-0.0016412881770602, 0.0005160752933911, 4.105772138401406]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.0744832901992885, -0.0007100796912019822, 0.001674356168123044], [0.0029600869138098674, 4.145052626662388, -0.0010201692308378395], [-0.0007273120336120099, 0.0001388426246501375, 4.145727921130441]], "pbc": [true, t... | 2.504738 | 2.924298 | [
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mtgn_4067099_LiIr | Li2 Ir2 | Li2 Ir2 | Pmmn | 59 | -0.000131 | 2026-02-12 09:31:04 | 1,064 | 6.048281 | 7.045615 | 3.904515 | 0.997334 | 3.1411 | 2.143766 | 3.1411 | -22.36648 | 1.289846 | 2.085687 | 0.420167 | -22.499016 | 0.032461 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.67059911495117, 0.0037383521402352, -0.0063053487893483], [-0.0062593135994853, 4.437225820731821, -0.0103140682825724], [0.0103412409388787, 0.0105286035015536, 4.432568967661145]], "pbc": [true, true, true], "a": 2.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.6682619375952807, 0.003588266928036837, -0.006245249150916738], [-0.00647744085642111, 4.417412031871265, -0.01242407088835483], [0.010945953959767118, 0.008882988083205829, 4.651624559267063]], "pbc": [true, true, tr... | 1.265234 | 2.085687 | [
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mtgn_6149054_ | Li1 Co2 P2 | Li2 Co4 P4 | I4/mmm | 139 | -0.000003 | 2026-02-12 01:18:04 | 1,064 | 4.189758 | 4.137914 | 4.453058 | 0.051843 | 0.315143 | 0.2633 | 0.315143 | -30.057837 | 2.371891 | 2.405439 | 4.064286 | -30.250971 | 0.004995 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4211543638291464, 0.0056594425110186, -1.2596231956685633], [-0.4683936625261653, 3.3897074499725712, -1.2582631845135435], [0.004422360610476, -0.0001422665109349, 5.244727668003951]], "pbc": [true, true, true], "a":... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.4740126753802945, 0.0031496859201927485, -1.2854796524523318], [-0.4780234609018998, 3.4412013148054093, -1.2836054058751785], [-0.01632918730609949, -0.023303170273230284, 5.295702552003624]], "pbc": [true, true, tru... | 2.947205 | 4.064286 | [
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0.0757712459... | 6 | 6 | 0.238055 | 0.187814 | 0.277449 | 0.195892 | mattergen | mattergen_base |
mtgn_6157869_ | Sc2 Ni2 Pb1 | Sc4 Ni4 Pb2 | Cmmm | 65 | -0.000006 | 2026-02-12 00:52:06 | 1,064 | 4.834454 | 5.341721 | 4.720507 | 0.507268 | 0.621214 | 0.113946 | 0.621214 | -29.314287 | 2.526211 | 2.297321 | 2.093822 | -30.286963 | 0.003026 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.769762359045606, -0.0003815120693429, -1.0005589601967597], [0.0002348426590232, 3.316426497612823, -0.0005267669364347], [-0.1458886224790194, 0.000970941607401, 7.033691808258532]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.797294131742104, -0.00039484337934180794, -1.0095347157130388], [0.00022810107522247758, 3.3681751738524843, -0.0005366953047060317], [-0.12789038889761095, 0.0009848382897947197, 7.168550022228551]], "pbc": [true, tr... | 2.305785 | 2.526211 | [
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0.03... | 6 | 6 | 0.935872 | 2.316078 | 0.885493 | 2.171366 | mattergen | mattergen_base |
mtgn_6056493_ | Te2 Pt2 Br2 | Te2 Pt2 Br2 | Pmmn | 59 | -0.000012 | 2026-02-12 03:01:06 | 1,064 | 3.739558 | 1.615597 | 2.930693 | 2.123961 | 1.315095 | 0.808866 | 2.123961 | -24.008398 | 0.25396 | 0.840865 | 0.306037 | -24.018801 | 0.057031 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.7909815712480768, -0.0021664123957744, 0.0026917212521352], [5.60941734841e-05, 5.672187368918135, 0.0037400253186861], [-0.0045818483949147, -0.0040816555348419, 7.320606041884492]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.8233377277425764, -0.0009792732365377077, 0.0034322214893967996], [0.0018307134315490206, 5.679521598781664, 0.002931174062346089], [-0.003920605620284506, -0.005699507817338484, 8.260617071570715]], "pbc": [true, tru... | 0.466954 | 0.840865 | [
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0.1388... | 6 | 6 | 1.101627 | 0.843201 | 1.457485 | 1.051549 | mattergen | mattergen_base |
mtgn_4000394_SrLiPt | Sr2 Li2 Pt2 | Sr2 Li2 Pt2 | P4/nmm | 129 | -0.000012 | 2026-02-12 09:20:26 | 1,064 | 3.752923 | 3.752076 | 5.373684 | 0.000846 | 1.621608 | 1.620762 | 1.621608 | -22.90641 | 2.056557 | 2.057687 | 1.948533 | -23.13763 | 0.013409 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.2091316290406775, 0.0033598076654759, -0.0011304237140125], [-0.0031786180272413, 4.209323468871849, 0.0006285972870467], [0.0019610019096721, -0.0010169646498736, 7.284696685327246]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.314781244596653, 0.0016565772774499116, -0.001811137729319387], [-0.005047039975482525, 4.316247830605343, 0.0009495918829244828], [0.0008421640802645316, -0.000495033383056011, 7.315407070213274]], "pbc": [true, true... | 2.020926 | 2.057687 | [
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mtgn_3036542_La2Ni2 | La2 Ni2 | La4 Ni4 | Cmcm | 63 | -0.000016 | 2026-02-12 07:11:00 | 1,064 | 5.320131 | 4.2331 | 5.076899 | 1.087031 | 0.843799 | 0.243232 | 1.087031 | -21.979701 | 2.434132 | 2.307257 | 2.788405 | -22.721558 | 0.010744 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.5755217567451663, 0.0015548161395321, 1.2519403248447798], [-0.000925651866651, 4.357652714625086, -0.0029586013982556], [0.0760351933821209, 0.0038261236714905, 5.602690900497761]], "pbc": [true, true, true], "a": 3.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6329261708871163, 0.000828628015157212, 1.2546187035659744], [-0.0015120000178260298, 4.346404895527912, -0.0038059401934523508], [0.008002395074832885, 0.0028255668371472663, 5.812884844078465]], "pbc": [true, true, ... | 2.509931 | 2.788405 | [
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mtgn_3399718_Li1V1Pd2 | Li1 V1 Pd2 | Li1 V1 Pd2 | P4/mmm | 123 | -0.000018 | 2026-02-12 07:23:51 | 1,064 | 3.446033 | 3.447895 | 3.265361 | 0.001862 | 0.182534 | 0.180672 | 0.182534 | -22.378904 | 3.144383 | 3.14415 | 3.123697 | -22.714512 | 0.021164 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7353601972304116, 0.0007650286610187, -0.0008490310941474], [-0.0016365344270002, 2.734973472268736, -0.000673619226199], [0.0022674505717139, 0.0009960782671991, 6.927161894909005]], "pbc": [true, true, true], "a": 2... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7795081061563507, 0.0011983585491808356, -0.0008853040547630015], [-0.001242051703087625, 2.7794784588496833, -0.0005342468011486763], [0.0023204469482482584, 0.0014538285101602941, 7.280064126595266]], "pbc": [true, ... | 3.13741 | 3.144383 | [
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mtgn_4192144_La2ZnRh2 | La2 Zn1 Rh2 | La4 Zn2 Rh4 | Immm | 71 | -0.000006 | 2026-02-12 07:38:09 | 1,064 | 4.214304 | 4.417538 | 4.164339 | 0.203234 | 0.253199 | 0.049966 | 0.253199 | -28.743177 | 2.568728 | 2.455044 | 2.419508 | -29.324238 | 0.00548 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.98594567362329, 0.0114643803868278, 1.6295978512508826], [1.3402501937289881, 4.841697233856183, 2.417667006789054], [0.0631875784630211, 0.0653721804339456, 5.574875779255806]], "pbc": [true, true, true], "a": 4.3062... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.025059884642403, 0.0061207029998763705, 1.6369150545722566], [1.3543794159671105, 4.937651633837228, 2.40948297130062], [0.04130615256982341, 0.023532536529776143, 5.654949715482641]], "pbc": [true, true, true], "a": ... | 2.481093 | 2.568728 | [
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-0.0271952... | 6 | 6 | 0.697135 | 1.440708 | 0.655935 | 1.36792 | mattergen | mattergen_base |
mtgn_6103715_ | Fe1 Cu1 Cl4 | Fe2 Cu2 Cl8 | I-4 | 82 | -0 | 2026-02-12 03:19:44 | 1,064 | 2.057108 | 2.078295 | 2.157896 | 0.021187 | 0.079602 | 0.100789 | 0.100789 | -23.565193 | 1.073449 | 1.111849 | 1.245519 | -24.068523 | 0.046063 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.767455185873057, -0.0010869860811562, -2.3719431673512807], [-1.1799152344448234, 4.617376290673925, -2.374650441597262], [0.1901091212657559, 0.2514213740929414, 6.361840122433573]], "pbc": [true, true, true], "a": 5... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.1371651240302425, -0.002624168075095256, -2.5578602260847103], [-1.2722551328039753, 4.979993497596274, -2.55964155321861], [0.018036657924503097, 0.031649612941480526, 6.484864073173938]], "pbc": [true, true, true], ... | 1.143606 | 1.245519 | [
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mtgn_6171196_ | Rb1 Mn2 As2 | Rb2 Mn4 As4 | I4/mmm | 139 | -0.000006 | 2026-02-12 02:29:18 | 1,064 | 3.539852 | 3.530314 | 2.983013 | 0.009538 | 0.547301 | 0.556839 | 0.556839 | -29.780641 | 1.469779 | 1.486242 | 0.961075 | -30.108517 | 0.001454 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.723235340507664, 0.0108337213085048, -0.9685777540597533], [-0.2609365573252709, 3.71461884138736, -0.9620650461584012], [0.0177466762730376, 0.0060135750128798, 7.7289782954725705]], "pbc": [true, true, true], "a": 3... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.6952374748350802, 0.007924601053515093, -0.9604898735290955], [-0.2616319723553655, 3.68733756139484, -0.9533939084940963], [0.09438190745363897, 0.08935947169412388, 7.960311286134111]], "pbc": [true, true, true], "a... | 1.305699 | 1.486242 | [
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0.0595046798... | 6 | 6 | 0.591818 | 0.622763 | 0.57355 | 0.612011 | mattergen | mattergen_base |
mtgn_6098311_ | Pr1 Ga2 Rh2 | Pr2 Ga4 Rh4 | I4/mmm | 139 | -0.000001 | 2026-02-12 06:32:05 | 1,064 | 4.665404 | 4.624364 | 3.912091 | 0.041039 | 0.712273 | 0.753313 | 0.753313 | -30.805469 | 3.674302 | 3.62572 | 4.08035 | -29.582579 | 0.010183 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.922666009853095, -0.00274984635792, -1.5330879796956327], [-0.5947486355746207, 3.8775473912105016, -1.530525583517226], [0.0256696546653409, 0.0280862981838188, 5.852742741195641]], "pbc": [true, true, true], "a": 4.... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[4.027679665752813, -0.0031112627382952483, -1.5737728350002445], [-0.6113746923376682, 3.982096416593224, -1.57221688244362], [-2.3145128981401856e-05, -0.0034535857881044943, 5.940627885844137]], "pbc": [true, true, tr... | 3.793457 | 4.08035 | [
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0.003183493... | 6 | 6 | 0.784156 | 0.53574 | 0.69436 | 0.578696 | mattergen | mattergen_base |
mtgn_2933546_Ce2Mg2Pb2 | Ce2 Mg2 Pb2 | Ce2 Mg2 Pb2 | P6_3/mmc | 194 | -0.001628 | 2026-02-12 02:53:22 | 1,064 | 4.809157 | 4.809019 | 5.225383 | 0.000138 | 0.416363 | 0.416226 | 0.416363 | -23.678057 | 2.356712 | 2.356707 | 4.248626 | -24.31064 | 0.000229 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.0915235822572065, -0.0006922009545158, 0.000423905245461], [-2.5454017362210517, 4.409776708485172, -7.23821313759e-05], [-0.0010242158389271, -0.0004593539605309, 7.016734687455347]], "pbc": [true, true, true], "a": ... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[5.18724947449275, -0.0008471393548788263, 0.0003576380713343312], [-2.593380846544723, 4.492548454789551, -4.687702262071667e-05], [-0.0011217307760844168, -0.0004796289660010041, 6.902206981082645]], "pbc": [true, true... | 2.987349 | 4.248626 | [
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mtgn_6061288_ | Ca1 Ge2 Rh2 | Ca2 Ge4 Rh4 | I4/mmm | 139 | -0.000006 | 2026-02-12 04:42:06 | 1,064 | 4.582307 | 4.552315 | 4.009191 | 0.029992 | 0.543125 | 0.573117 | 0.573117 | -29.415234 | 2.577468 | 2.515467 | 1.832078 | -29.783407 | 0.003947 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.865316306155993, -0.0017077503530442, -1.454671825012997], [-0.5445927001091416, 3.827344891831683, -1.4545457576448195], [0.041039562041846, 0.046667526090696, 5.9953969390159]], "pbc": [true, true, true], "a": 4.129... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[3.9201513869939197, -0.0010408452031242478, -1.4719314988264114], [-0.5515561542670108, 3.88110883786728, -1.4715966095597843], [0.02569054098723572, 0.02930376879560978, 6.0241817797568435]], "pbc": [true, true, true],... | 2.308338 | 2.577468 | [
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0.0635113954... | 6 | 6 | 0.536582 | 0.324353 | 0.514466 | 0.311436 | mattergen | mattergen_base |
mtgn_6019316_ | Fe1 Pd2 Au1 | Fe1 Pd2 Au1 | P4/mmm | 123 | -0.000003 | 2026-02-12 09:49:55 | 1,064 | 4.882767 | 4.881996 | 2.4391 | 0.000771 | 2.442896 | 2.443668 | 2.443668 | -22.277899 | 2.392199 | 2.393007 | 4.706347 | -22.467014 | 0.003526 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.7553656520572325, -0.000309508085296, 0.0014588352652418], [0.000510119543859, 2.755313087135196, 0.0028502006784301], [-0.004309277516975, -0.0075593473661308, 7.693114898129464]], "pbc": [true, true, true], "a": 2.7... | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0.0, "lattice": {"matrix": [[2.865620119680442, -0.0004824259257100298, 0.0010793738952784519], [0.00037025708904396093, 2.866445724605492, 0.001883751230508811], [-0.005424911034840967, -0.010372865143860448, 7.597060196010781]], "pbc": [true, tru... | 3.163851 | 4.706347 | [
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0.088822243... | 6 | 6 | 0.798662 | 2.159075 | 0.792265 | 2.225596 | mattergen | mattergen_base |
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