material_id large_stringlengths 12 12 | formula large_stringlengths 1 22 | energy float64 -1,788.46 -0.03 | e_above_hull float64 0 5.55 | band_gap float64 0 9.37 | total_mag float64 -117.59 383 | n_sites uint32 1 256 | structure large_stringlengths 515 68.9k |
|---|---|---|---|---|---|---|---|
agm001224384 | Pm2ZrSc | -23.922027 | 0.127968 | 0 | 0.000088 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.81245845, 0.0, 0.0], [0.0, 4.84220073, 0.0], [0.0, 0.0, 4.84220073]], "pbc": [true, true, true], "a": 4.81245845, "b": 4.84220073, "c": 4.84220073, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 112.8372700959866... |
agm001479548 | Na2IrPdBr | -15.189174 | 1.314404 | 0 | 0 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.64982722, 0.0, 0.0], [0.0, 4.59434614, 0.0], [0.0, 0.0, 5.64982722]], "pbc": [true, true, true], "a": 5.64982722, "b": 4.59434614, "c": 5.64982722, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 146.6540447255801... |
agm002977768 | Cs2HfGa2 | -25.643662 | 1.257399 | 0 | 0.000001 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[10.20896925, 0.0, 0.0], [0.0, 10.20896925, 0.0], [0.0, 0.0, 3.29758766]], "pbc": [true, true, true], "a": 10.20896925, "b": 10.20896925, "c": 3.29758766, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 343.684653946... |
agm004443294 | GePt | -66.305708 | 0.292086 | 0.1404 | -0.000006 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.98651, 0.0, 0.0], [0.0, 5.16699, 0.0], [0.0, 0.0, 13.0955]], "pbc": [true, true, true], "a": 3.98651, "b": 5.16699, "c": 13.0955, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 269.74447853631796}, "properties": ... |
agm061590064 | Na2LaInBr6 | -35.843487 | 0.011761 | 3.0836 | -0 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.08073479, -3.78945945, -0.06251614], [8.08073479, 3.78945945, -0.06251615], [6.35265518, 0.0, 6.2694464]], "pbc": [true, true, true], "a": 8.925367551942673, "b": 8.925367552012716, "c": 8.925367555370132, "alpha": 50.2... |
agm002959797 | V2BMo2 | -89.860586 | 0.751288 | 0 | 0.000047 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.65482542, 0.0, 0.0], [0.0, 5.65482542, 0.0], [0.0, 0.0, 4.20531994]], "pbc": [true, true, true], "a": 5.65482542, "b": 5.65482542, "c": 4.20531994, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 134.4737282190485... |
agm005824387 | SrCaGe4 | -97.556939 | 0.122181 | 0.0519 | -0 | 24 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.55025869, 0.0, 0.0], [0.0, 8.74686249, 3e-08], [0.0, -9.5e-07, 15.74209707]], "pbc": [true, true, true], "a": 4.55025869, "b": 8.74686249, "c": 15.742097070000028, "alpha": 90.00000326115774, "beta": 90.0, "gamma": 90.0... |
agm003436443 | PrY2Cu3 | -31.22151 | 0.027291 | 0 | -0.000001 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.51141218, 0.0, 0.0], [0.0, 3.51141218, 0.0], [0.0, 0.0, 10.67023253]], "pbc": [true, true, true], "a": 3.51141218, "b": 3.51141218, "c": 10.67023253, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 131.56413246058... |
agm005456098 | Ta2As | -57.558878 | 0.27371 | 0 | -0.000001 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[1.72361892, -6.57466224, -0.0], [1.72361892, 6.57466224, 0.0], [0.0, 0.0, 4.56062041]], "pbc": [true, true, true], "a": 6.79684086553921, "b": 6.79684086553921, "c": 4.56062041, "alpha": 90.0, "beta": 90.0, "gamma": 150.6... |
agm005653432 | Ti4Sn2Au3 | -52.486124 | 0.057561 | 0 | 0.000461 | 9 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.92364334, 1e-08, 0.83978114], [1.76369159, 4.49057284, 1.34559625], [0.07665567, -0.055961, 9.22780011]], "pbc": [true, true, true], "a": 4.012506625866935, "b": 5.008640706219248, "c": 9.228288172536669, "alpha": 74.56... |
agm005940223 | PmNd5Tm3 | -79.155775 | 0.273121 | 0.0195 | 0 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.42543457, -2e-08, 0.0], [-3.21271771, 8.74215999, -3.07610162], [2e-08, -0.47426916, 11.36106926]], "pbc": [true, true, true], "a": 6.42543457, "b": 9.808634846474359, "c": 11.370964161699046, "alpha": 110.5186690211431... |
agm005940106 | Tb3Nd5Sm | -79.991363 | 0.275863 | 0.0139 | -0 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.26829468, 8e-08, -8e-08], [-3.13414681, 9.60395607, -4.62023209], [-1.2e-07, -2.10629832, 11.50492801]], "pbc": [true, true, true], "a": 6.268294680000001, "b": 11.108797999180146, "c": 11.696147277121531, "alpha": 124.... |
agm005935317 | Er3NiSn3 | -72.312088 | 0.015652 | 0.0023 | -0.000003 | 14 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.36706504, 0.0, 0.65783505], [2.15138473, 5.50817927, 0.54233086], [0.11476206, 0.09187668, 14.06251946]], "pbc": [true, true, true], "a": 4.416333775497353, "b": 5.9382335663598855, "c": 14.063287852334602, "alpha": 84.... |
agm001262832 | CeSmY | -16.899182 | 0.076409 | 0 | 0.613849 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.54869341, 0.0, 0.0], [-1.7743467, 3.07325864, 0.0], [0.0, -0.0, 8.72981333]], "pbc": [true, true, true], "a": 3.54869341, "b": 3.548693404640015, "c": 8.72981333, "alpha": 90.0, "beta": 90.0, "gamma": 119.99999995674733... |
agm004373926 | Zn2CrAu | -14.548731 | 0.36533 | 0.0155 | 3.290022 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.92524795, -0.10045291, -0.05890588], [8.48498156, 2.77042047, -0.05890588], [8.48498156, 1.30122498, 2.44653082]], "pbc": [true, true, true], "a": 8.926007599078394, "b": 8.926007593366343, "c": 8.926007594402208, "alph... |
agm003277468 | KCa9Mn(PO4)7 | -664.652029 | 0 | 4.5079 | 9.999999 | 92 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[10.55037997, 0.0, -0.0], [5.27518999, 9.13689707, -0.0], [5.27518999, 3.04563236, 12.46041552]], "pbc": [true, true, true], "a": 10.55037997, "b": 10.550379969383604, "c": 13.86958762306696, "alpha": 67.645116750436, "bet... |
agm006037064 | Pr15Er4Sc | -95.991382 | 0.015355 | 0.0001 | 0.000023 | 20 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.1679914, 0.0, 0.0], [0.0, 5.1679914, 0.0], [0.0, 0.0, 25.73808953]], "pbc": [true, true, true], "a": 5.1679914, "b": 5.1679914, "c": 25.73808953, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 687.4163726527153},... |
agm005960353 | Nd5Sm3Ho | -80.413062 | 0.265893 | 0.0173 | 0.000024 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.30852005, -5e-08, 8e-08], [-3.15426052, 9.63171125, -4.49675626], [1.4e-07, -2.27546631, 11.56953745]], "pbc": [true, true, true], "a": 6.308520050000001, "b": 11.087832876322425, "c": 11.791180760843993, "alpha": 124.4... |
agm005940094 | Nd5SmHo3 | -79.581153 | 0.281518 | 0.012 | -0.000003 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.26595469, 7e-08, -8e-08], [-3.13297684, 9.53941203, -4.61864966], [-1.2e-07, -2.17485644, 11.53737019]], "pbc": [true, true, true], "a": 6.265954690000001, "b": 11.052051865599582, "c": 11.740566912875636, "alpha": 124.... |
agm003245072 | H4PbI3N | -139.657513 | 0.000107 | 2.6775 | 0 | 36 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.82512052, 0.0, 0.0], [0.0, 10.66623274, 0.0], [0.0, 0.0, 19.11222271]], "pbc": [true, true, true], "a": 4.82512052, "b": 10.66623274, "c": 19.11222271, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 983.626948941... |
agm005584981 | Co2(Ni7B2)3 | -181.012259 | 0.035537 | 0 | 7.097689 | 29 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.39398832, 0.0, 3.69157144], [2.13132944, 6.02831011, 3.69157144], [0.0, 0.0, 7.38314188]], "pbc": [true, true, true], "a": 7.383142036621001, "b": 7.383142126544944, "c": 7.38314188, "alpha": 59.99999662418891, "beta": ... |
agm003879230 | CoOs2Ru | -38.149098 | 0.1865 | 0 | 1.072998 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.68207258, 0.0, 0.0], [0.0, 2.68207258, 0.0], [0.0, 0.0, 7.42996122]], "pbc": [true, true, true], "a": 2.68207258, "b": 2.68207258, "c": 7.42996122, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 53.44752503575505... |
agm013692562 | Hf4Os3Ru | -88.648498 | 0.003962 | 0.0008 | 0.000001 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.24536274, 0.0, 0.0], [0.0, 4.60049683, 0.0], [0.0, 0.0, 9.19869848]], "pbc": [true, true, true], "a": 3.24536274, "b": 4.60049683, "c": 9.19869848, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 137.3391531183210... |
agm004250502 | Ta2OsPb | -37.324729 | 0.580683 | 0.0283 | -0.000001 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.22065547, 0.0, 0.0], [0.0, 3.08216799, 0.00367505], [0.0, 1.54369453, 5.96010209]], "pbc": [true, true, true], "a": 4.22065547, "b": 3.08217018098825, "c": 6.156769422771515, "alpha": 75.41089455350529, "beta": 90.0, "g... |
agm005762700 | CaAcGa4 | -21.519605 | 0.031766 | 0 | 0 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.95209931, -1e-08, 1.89940141], [2.12426377, 5.92210834, 0.64131169], [-0.56326611, -0.90782618, 6.23327474]], "pbc": [true, true, true], "a": 4.384839184327341, "b": 6.324171442881892, "c": 6.324170385757328, "alpha": 9... |
agm005762731 | CaDyGa4 | -22.019265 | 0.031522 | 0 | 0 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.89244793, 6e-08, 1.87073256], [1.87988979, 5.4594467, 1.0733884], [-0.41424468, -0.36580863, 5.84680968]], "pbc": [true, true, true], "a": 4.318656179739879, "b": 5.872964034449869, "c": 5.872869659956066, "alpha": 84.1... |
agm002554058 | NiPb3Au | -15.992622 | 0.892404 | 0 | 0.000077 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.5025707, 0.0, 0.0], [0.0, 5.5025707, 0.0], [0.0, 0.0, 5.5025707]], "pbc": [true, true, true], "a": 5.5025707, "b": 5.5025707, "c": 5.5025707, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 166.60840008221354}, "p... |
agm001741062 | CaRuO2F | -31.346269 | 0.57681 | 0 | 2.082418 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.97055662, 0.0, 0.0], [0.0, 3.97055662, 0.0], [0.0, 0.0, 4.24212271]], "pbc": [true, true, true], "a": 3.97055662, "b": 3.97055662, "c": 4.24212271, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 66.87842146208033... |
agm003970649 | InRe2P | -29.840819 | 1.018654 | 0.0345 | 0.000002 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.16389598, 0.00356742, -0.00569021], [-1.96474292, 4.77552297, -0.00569021], [0.76923487, 1.14913006, 2.62464452]], "pbc": [true, true, true], "a": 5.163900347337801, "b": 5.163900343459156, "c": 2.96664474387911, "alpha... |
agm004328828 | NiPbAu2 | -15.133269 | 0.283725 | 0.0074 | 0.473744 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.53406435, 0.00372908, 0.00221078], [7.87496551, 3.28864508, 0.00221078], [7.87496551, 1.58006495, 2.88419592]], "pbc": [true, true, true], "a": 8.534065451092275, "b": 8.534065451673428, "c": 8.534065451755845, "alpha":... |
agm002866198 | NaCoIr2 | -46.593572 | 0.712529 | 0 | 4.540869 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[7.33155145, 0.0, 0.0], [0.0, 7.33155145, 0.0], [3.66577573, 3.66577573, 2.45787285]], "pbc": [true, true, true], "a": 7.33155145, "b": 7.33155145, "c": 5.737330594630327, "alpha": 50.28762171661956, "beta": 50.28762171661... |
agm004540527 | Ca2Zn(IO)2 | -31.468199 | 0.069333 | 3.116 | 0 | 7 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.05256249, 0.0, -0.0], [0.0, 4.05256249, 0.0], [-2.02628125, -2.02628124, 10.25925706]], "pbc": [true, true, true], "a": 4.05256249, "b": 4.05256249, "c": 10.651947558584643, "alpha": 100.96599475949205, "beta": 100.9659... |
agm004410301 | Ni2RhAu | -21.658255 | 0.133302 | 0.0002 | 1.948584 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.53907496, 0.01526825, 0.00987009], [-1.21119516, 4.37452179, 0.00987009], [-0.0046537, -0.00613868, 2.74622491]], "pbc": [true, true, true], "a": 4.539111370150954, "b": 4.539111369582028, "c": 2.7462357139583524, "alph... |
agm005424730 | Cu4RuCl | -24.009495 | 0.732979 | 0 | 1.188831 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.47176512, 3.47176512], [3.47176512, 0.0, 3.47176512], [3.47176512, 3.47176512, 0.0]], "pbc": [true, true, true], "a": 4.909817318077856, "b": 4.909817318077856, "c": 4.909817318077856, "alpha": 59.99999999999999, "... |
agm004125185 | FeMo | -37.928393 | 0.174526 | 0 | 4.115713 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.26755704, -0.00459542, -0.00324664], [2.13719901, 3.69383873, -0.00324664], [2.13719901, 1.23106128, 3.48266324]], "pbc": [true, true, true], "a": 4.267560749211407, "b": 4.267560744999921, "c": 4.267560746692133, "alph... |
agm002670196 | Al2BiF | -14.882229 | 0.77443 | 0 | 0 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.43527972, 3.43527972], [3.43527972, 0.0, 3.43527972], [3.43527972, 3.43527972, 0.0]], "pbc": [true, true, true], "a": 4.858219170569249, "b": 4.858219170569249, "c": 4.858219170569249, "alpha": 59.99999999999999, "... |
agm015121300 | Na4SiSe4 | -66.477039 | 0.008422 | 1.8203 | 0 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.3039806, 0.0, 0.0], [0.0, 8.3039806, 0.0], [0.0, 0.0, 6.72282071]], "pbc": [true, true, true], "a": 8.3039806, "b": 8.3039806, "c": 6.72282071, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 463.57945551414224}, ... |
agm001987986 | NaPbI2 | -9.845376 | 0.44429 | 0 | 0.000003 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.10310337, 0.0, 0.0], [2.55155169, 4.41941716, 0.0], [2.55155169, 1.47313905, 9.27016068]], "pbc": [true, true, true], "a": 5.10310337, "b": 5.1031033754808774, "c": 9.727097908440873, "alpha": 74.79260275300469, "beta":... |
agm003740248 | Sc4GaPd | -35.657465 | 0.220711 | 0 | -0.000007 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.56527272, 7.239e-05, -0.00106817], [-8.345e-05, 4.56600359, -0.00151363], [0.00365015, 0.00566117, 6.66555542]], "pbc": [true, true, true], "a": 4.565272845537676, "b": 4.566003841646716, "c": 6.665558823499509, "alpha"... |
agm004314623 | TlIr2 | -18.361378 | 0.57563 | 0 | 0 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.10676287, 0.04147467, 0.00483911], [4.22077135, 4.41354303, -0.00483911], [-4.88079162, -2.88349749, 2.27103759]], "pbc": [true, true, true], "a": 6.106905625244902, "b": 6.106905622623294, "c": 6.10690562788484, "alpha... |
agm003407838 | Pr3Nd2Y | -60.535446 | 0.015824 | 0.0099 | 0.000009 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.68179349, 0.0, 0.0], [0.0, 10.35728644, 1.19476401], [0.0, -1.25749359, 10.95417504]], "pbc": [true, true, true], "a": 3.68179349, "b": 10.42596966424702, "c": 11.026116312457896, "alpha": 89.96838469074181, "beta": 90.... |
agm001124481 | NdYHo2 | -20.290405 | 0.030956 | 0.0484 | -0.000006 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.57983759, 0.0, 0.0], [0.0, 3.57983759, 0.0], [0.0, 0.0, 10.11178852]], "pbc": [true, true, true], "a": 3.57983759, "b": 3.57983759, "c": 10.11178852, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 129.58496810454... |
agm001972864 | PuBi2Pb | -25.950403 | 0.206743 | 0.0008 | 4.909452 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.6102098, -0.0, 0.0], [2.3051049, 3.9925588, 0.0], [2.3051049, 1.33085293, 7.58065306]], "pbc": [true, true, true], "a": 4.6102098, "b": 4.6102097969031135, "c": 8.034362385241343, "alpha": 73.32720087152691, "beta": 73.... |
agm005939612 | Pm5NdIr3 | -119.438276 | 0.083943 | 0.0013 | 0.000027 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[7.27030537, 0.55038382, 3.15105583], [-4.14999145, 8.37546846, 5.53854371], [0.24636212, 1.80253255, 10.71151483]], "pbc": [true, true, true], "a": 7.942884574645764, "b": 10.864914513566521, "c": 10.86491453446783, "alph... |
agm005465684 | SrMnRu4 | -45.022841 | 0.492006 | 0 | 1.955462 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.74732187, 3.74732187], [3.74732187, 0.0, 3.74732187], [3.74732187, 3.74732187, 0.0]], "pbc": [true, true, true], "a": 5.299513411131308, "b": 5.299513411131308, "c": 5.299513411131308, "alpha": 59.99999999999999, "... |
agm004532378 | Th2Zn4Ga3Au | -36.712852 | 0.01612 | 0.0248 | 0.000001 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.27980337, 0.0, 0.0], [0.0, 4.27980337, 0.0], [0.0, 0.0, 10.6047826]], "pbc": [true, true, true], "a": 4.27980337, "b": 4.27980337, "c": 10.6047826, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 194.2448005203298... |
agm001276267 | AcPrGd | -22.854561 | 0.03809 | 0 | 7.587421 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.79246266, 0.0, 0.0], [-1.89623133, 3.284369, -0.0], [-0.0, 0.0, 9.11042097]], "pbc": [true, true, true], "a": 3.79246266, "b": 3.7924626544020925, "c": 9.11042097, "alpha": 90.0, "beta": 90.0, "gamma": 120.0000000488277... |
agm002188000 | SiPt | -49.445817 | 0.235185 | 0 | 0 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.24473077, 0.0, 0.0], [-0.0, 5.24473077, 0.0], [0.0, -0.0, 5.24473077]], "pbc": [true, true, true], "a": 5.24473077, "b": 5.24473077, "c": 5.24473077, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 144.26786269343... |
agm005914139 | CaTbIn4 | -19.887741 | 0.063937 | 0 | 0 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.64701648, 0.0, 0.00948623], [0.0, 4.98334699, 0.0], [-0.02852788, 0.0, 8.69034231]], "pbc": [true, true, true], "a": 3.64702881726361, "b": 4.98334699, "c": 8.690389134262828, "alpha": 90.0, "beta": 90.03905346487016, "... |
agm004449525 | AgC | -74.366122 | 1.389683 | 1.9325 | -0 | 16 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.5611, 0.0, 0.0], [0.0, 6.5611, 0.0], [0.0, 0.0, 6.5611]], "pbc": [true, true, true], "a": 6.5611, "b": 6.5611, "c": 6.5611, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 282.4424506941309}, "properties": {}, "si... |
agm004719231 | Pr3Nd4YTe8 | -87.545657 | 0.018237 | 0.0012 | -0.000004 | 16 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[9.00577533, 0.0, 0.0], [0.0, 8.98437475, -0.01169601], [-4.50288766, -4.49185949, 6.36623588]], "pbc": [true, true, true], "a": 9.00577533, "b": 8.984382363027938, "c": 8.998986511618, "alpha": 120.00477952634795, "beta":... |
agm002591049 | ScIn3Br | -14.760977 | 0.912371 | 0 | 2.449508 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.80495169, 0.0, 0.0], [0.0, 5.80495169, 0.0], [0.0, 0.0, 5.80495169]], "pbc": [true, true, true], "a": 5.80495169, "b": 5.80495169, "c": 5.80495169, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 195.6121513108807... |
agm002927669 | K(YGe)2 | -24.595032 | 0.449974 | 0 | 0.000099 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.14791877, 0.0, 0.0], [0.0, 5.14791877, 0.0], [2.57395938, 2.57395938, 5.84506619]], "pbc": [true, true, true], "a": 5.14791877, "b": 5.14791877, "c": 6.885879213670617, "alpha": 68.04967602747206, "beta": 68.04967602747... |
agm002757618 | SrNbBr2 | -16.093309 | 1.346663 | 0.0032 | 3.224361 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.17753416, 0.0, 9.6773972], [-1.08876708, 1.8857999, 9.6773972], [-1.08876708, -1.8857999, 9.6773972]], "pbc": [true, true, true], "a": 9.919358426054316, "b": 9.9193584260223, "c": 9.9193584260223, "alpha": 21.918768368... |
agm001808636 | TaSbTe2Os | -26.089491 | 1.709099 | 0 | 3.46893 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.29121805, 0.0, 0.0], [0.0, 5.29121805, 0.0], [0.0, 0.0, 5.42283267]], "pbc": [true, true, true], "a": 5.29121805, "b": 5.29121805, "c": 5.42283267, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 151.8229836426204... |
agm002426011 | Nb3BiBr | -30.799949 | 1.25152 | 0 | 0.000001 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.81499057, 0.0, 0.0], [0.0, 4.81499057, 0.0], [0.0, 0.0, 4.81499057]], "pbc": [true, true, true], "a": 4.81499057, "b": 4.81499057, "c": 4.81499057, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 111.6313874945592... |
agm005479493 | BePbAu4 | -18.666913 | 0.421391 | 0 | -0.000007 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.94115712, 3.94115712], [3.94115712, 0.0, 3.94115712], [3.94115712, 3.94115712, 0.0]], "pbc": [true, true, true], "a": 5.573637850547288, "b": 5.573637850547288, "c": 5.573637850547288, "alpha": 60.00000000000001, "... |
agm001845059 | AcPrGd | -22.698162 | 0.090223 | 0.0046 | 7.91011 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.34744441, 0.0, 0.0], [0.0, 4.34744441, 0.0], [-2.1737222, -2.1737222, 6.00280811]], "pbc": [true, true, true], "a": 4.34744441, "b": 4.34744441, "c": 6.744170935780576, "alpha": 108.80275753534558, "beta": 108.802757535... |
agm002823271 | CuIrPt2 | -47.125162 | 0.482519 | 0.0248 | 0 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.78480627, 0.0, 0.0], [0.0, 3.78480627, 0.0], [1.89240313, 1.89240313, 8.91749746]], "pbc": [true, true, true], "a": 3.78480627, "b": 3.78480627, "c": 9.310431792455924, "alpha": 78.27256143008833, "beta": 78.27256143008... |
agm003224389 | CaMn2Cu3(RuO6)2 | -131.102174 | 0.027075 | 0.0041 | 10.694102 | 20 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.48983898, 0.05523691, 0.0695264], [2.28868175, 6.07313732, 0.0695264], [4.43863786, 3.09865805, 5.4504914]], "pbc": [true, true, true], "a": 6.490446442491514, "b": 6.490446439241048, "c": 7.6818646346137305, "alpha": 5... |
agm003274802 | Ca2ZnFe(SiO3)4 | -144.59268 | 0.024993 | 3.0148 | 4.000001 | 20 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.33941837, 0.00964564, 0.00910896], [1.36021414, 6.61241563, 0.00585282], [1.36021414, 0.38397195, 6.60126051]], "pbc": [true, true, true], "a": 5.33943485224951, "b": 6.750870849455365, "c": 6.750870853891978, "alpha": ... |
agm004600949 | NaPr2(YTe2)3 | -65.598594 | 0.007139 | 0.0451 | 0.000031 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.41139342, 0.0, -0.0], [0.0, 8.97122462, 0.27071527], [-2.20569671, -2.63804383, 9.38328222]], "pbc": [true, true, true], "a": 4.41139342, "b": 8.975308236484434, "c": 9.993515820054222, "alpha": 103.623162118481, "beta"... |
agm001828582 | Sm3Au | -18.163763 | 0.251575 | 0.0354 | 0.001298 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.7412298, 0.0, 0.0], [0.0, 3.681103, 0.0], [0.0, 0.0, 9.46731564]], "pbc": [true, true, true], "a": 3.7412298, "b": 3.681103, "c": 9.46731564, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 130.38247210796501}, "p... |
agm002795312 | Sc2BIr | -59.144326 | 0.521737 | 0.0426 | 0 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.81372729, 0.0, 0.0], [0.0, 8.81372729, 0.0], [4.40686364, 4.40686364, 1.99850114]], "pbc": [true, true, true], "a": 8.81372729, "b": 8.81372729, "c": 6.544837743572364, "alpha": 47.6750689531708, "beta": 47.675068953170... |
agm002319839 | Sm2Au | -14.208063 | 0.080951 | 0.0028 | 0.482483 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.68185549, 0.00204109, -0.00020093], [0.00204109, 3.68185549, -0.00020093], [-1.84226809, -1.84226809, 6.25675174]], "pbc": [true, true, true], "a": 3.6818560612365596, "b": 3.6818560612365596, "c": 6.777525047305803, "a... |
agm003239463 | Ba3SmRu2O9 | -212.531649 | 0 | 0 | 5.978251 | 30 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.99432948, -0.0, 0.0], [-2.99716478, 5.19124158, 0.0], [0.0, 0.0, 14.77743016]], "pbc": [true, true, true], "a": 5.99432948, "b": 5.994329475462067, "c": 14.77743016, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000046652... |
agm005629179 | Ti4V2Pd3 | -67.692661 | 0.137089 | 0.0109 | 2.548224 | 9 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.14727457, 0.00066421, -0.00021338], [1.57341633, 4.67530151, 0.92983769], [-0.0048848, 1.22423114, 9.73611524]], "pbc": [true, true, true], "a": 3.1472746473218116, "b": 5.019828810493788, "c": 9.812782771058219, "alpha... |
agm002631678 | AgOsI2 | -12.259293 | 1.359408 | 0 | 0.000006 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.53697714, 3.53697714], [3.53697714, 0.0, 3.53697714], [3.53697714, 3.53697714, 0.0]], "pbc": [true, true, true], "a": 5.0020410411916005, "b": 5.0020410411916005, "c": 5.0020410411916005, "alpha": 59.99999999999999... |
agm004819240 | TbY2PuN4 | -77.723358 | 0.013021 | 0.0026 | 4.720586 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.4880381, 0.0, 0.0], [0.0, 6.01471916, 0.10932835], [0.0, -2.09925596, 5.63771035]], "pbc": [true, true, true], "a": 3.4880381, "b": 6.015712697742873, "c": 6.015866818347348, "alpha": 109.38196206689992, "beta": 90.0, "... |
agm002886701 | ScIn2Br | -28.01835 | 0.643804 | 0 | 0 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[9.67507218, 0.0, 0.0], [0.0, 9.67507218, 0.0], [4.83753609, 4.83753609, 2.65020732]], "pbc": [true, true, true], "a": 9.67507218, "b": 9.67507218, "c": 7.336696101317443, "alpha": 48.74879280426953, "beta": 48.74879280426... |
agm004818973 | Tb2YHfN4 | -72.812317 | 0.007178 | 0 | -0.000002 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.39705825, 0.0, 0.0], [0.0, 5.89930171, 0.11542616], [0.0, -2.05046968, 5.53959885]], "pbc": [true, true, true], "a": 3.39705825, "b": 5.900430820204679, "c": 5.90690962581286, "alpha": 109.19100576419666, "beta": 90.0, ... |
agm003955432 | CrCoOs2 | -38.634138 | 0.153802 | 0 | 0.000002 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.64901612, 0.0, 0.0], [0.0, 2.64901612, 0.0], [0.0, 0.0, 7.29879155]], "pbc": [true, true, true], "a": 2.64901612, "b": 2.64901612, "c": 7.29879155, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 51.21771070959}, ... |
agm004904952 | BaRh(PbO4)2 | -67.078045 | 0.24544 | 0.0419 | 0.958542 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.78864443, 0.16381819, 0.26659539], [0.18720359, 5.36581627, 0.64521309], [0.38543594, 1.03544781, 7.18044535]], "pbc": [true, true, true], "a": 4.798856632398404, "b": 5.407710177053958, "c": 7.26495068499533, "alpha": ... |
agm005475678 | LiCa4Ni | -11.608199 | 0.751535 | 0 | 0.008959 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 4.74944002, 4.74944002], [4.74944002, 0.0, 4.74944002], [4.74944002, 4.74944002, 0.0]], "pbc": [true, true, true], "a": 6.716722489961543, "b": 6.716722489961543, "c": 6.716722489961543, "alpha": 59.99999999999999, "... |
agm004405521 | AlAg2P | -13.882762 | 0.549098 | 0.6791 | -0.000003 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.61456346, 0.0, 0.0], [2.30728173, 3.99632918, 0.0], [2.30728173, 1.33210973, 3.76777529]], "pbc": [true, true, true], "a": 4.61456346, "b": 4.614563456765034, "c": 4.614563462591781, "alpha": 59.99999998492167, "beta": ... |
agm060265072 | CsAc(BiAu)2 | -23.142963 | 0 | 0.691 | 0 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.46478179, -4.2691273, 0.0], [2.46478179, 4.2691273, 0.0], [0.0, 0.0, 10.3334932]], "pbc": [true, true, true], "a": 4.92956358878967, "b": 4.92956358878967, "c": 10.3334932, "alpha": 90.0, "beta": 90.0, "gamma": 120.0000... |
agm005612864 | Sr3(TlAu2)2 | -28.239782 | 0.021875 | 0.0318 | -0 | 9 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.50521303, 1e-08, 1.33079394], [1.89912713, 6.02704041, 1.86205072], [-0.28202842, 0.22642251, 9.24603779]], "pbc": [true, true, true], "a": 4.697654410067061, "b": 6.587801821816403, "c": 9.253108774721634, "alpha": 72.... |
agm006037138 | Er4Tm15Sc | -91.044083 | 0.037409 | 0.0026 | -0.00001 | 20 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.91975764, 0.0, 0.0], [0.0, 4.91975764, 0.0], [0.0, 0.0, 24.60488817]], "pbc": [true, true, true], "a": 4.91975764, "b": 4.91975764, "c": 24.60488817, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 595.53708815508... |
agm002892100 | TaCuSi2 | -51.802276 | 0.586055 | 0.0678 | 0 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.6368867, 0.0, 0.0], [0.0, 6.6368867, 0.0], [3.31844335, 3.31844335, 2.76942882]], "pbc": [true, true, true], "a": 6.6368867, "b": 6.6368867, "c": 5.449208063871762, "alpha": 52.484417023362944, "beta": 52.48441702336294... |
agm004335733 | Mo2PIr | -35.954608 | 0.48898 | 0.0616 | 0.000113 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.50181549, -4.12289814, -0.0], [2.50181549, 4.12289814, 0.0], [0.0, 0.0, 2.83829075]], "pbc": [true, true, true], "a": 4.822589534557072, "b": 4.822589534557072, "c": 2.83829075, "alpha": 90.0, "beta": 90.0, "gamma": 117... |
agm005441344 | TcPBr4 | -13.772249 | 1.8416 | 0 | 1.873709 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 4.36376639, 4.36376639], [4.36376639, 0.0, 4.36376639], [4.36376639, 4.36376639, 0.0]], "pbc": [true, true, true], "a": 6.1712976117658815, "b": 6.1712976117658815, "c": 6.1712976117658815, "alpha": 59.99999999999999... |
agm002600177 | TaCu3Si | -21.049724 | 1.930845 | 0 | 0 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.76642474, 0.0, 0.0], [0.0, 4.76642474, 0.0], [0.0, 0.0, 4.76642474]], "pbc": [true, true, true], "a": 4.76642474, "b": 4.76642474, "c": 4.76642474, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 108.2874732718842... |
agm002573222 | MoPIr3 | -38.883674 | 1.240464 | 0 | 3.951475 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.4020565, 0.0, 0.0], [0.0, 4.4020565, 0.0], [0.0, 0.0, 4.4020565]], "pbc": [true, true, true], "a": 4.4020565, "b": 4.4020565, "c": 4.4020565, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 85.303497354035}, "prop... |
agm003226362 | Ca2TaVO6 | -162.387445 | 0.037669 | 0.4589 | 4.000002 | 20 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[7.74658724, 0.0, 0.0], [0.0, 5.50394693, -0.00095539], [0.0, 0.01237697, 5.67170914]], "pbc": [true, true, true], "a": 7.74658724, "b": 5.50394701291959, "c": 5.671722644677358, "alpha": 89.88491322463511, "beta": 90.0, "... |
agm003246847 | CaSb3P3O13 | -268.868172 | 0.092909 | 2.2101 | 0 | 40 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.97184294, 0.0, 0.0], [0.0, 8.42329176, 0.19396692], [0.0, 2.66430983, 10.80853409]], "pbc": [true, true, true], "a": 6.97184294, "b": 8.425524745684282, "c": 11.132068812441233, "alpha": 74.83347707914231, "beta": 90.0,... |
agm002695506 | LiAl2I | -8.96288 | 1.106615 | 0 | 0.000011 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.7305337, 3.7305337], [3.7305337, 0.0, 3.7305337], [3.7305337, 3.7305337, 0.0]], "pbc": [true, true, true], "a": 5.275771353429883, "b": 5.275771353429883, "c": 5.275771353429883, "alpha": 60.00000000000001, "beta":... |
agm005887503 | SrCaNi4 | -54.360171 | 0.083321 | 0.0153 | 0.00275 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.16820195, 0.0, 0.0], [-2.58410147, 4.47579392, 0.0], [0.0, 0.0, 8.53401826]], "pbc": [true, true, true], "a": 5.16820195, "b": 5.168201971823965, "c": 8.53401826, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000619693397... |
agm003896120 | Mo2PIr | -36.568357 | 0.335542 | 0.0487 | -0.000001 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.93907263, 0.0, 0.0], [0.0, 2.81062894, -0.00022439], [0.0, 1.12822, 5.26663739]], "pbc": [true, true, true], "a": 3.93907263, "b": 2.810628948957225, "c": 5.386125673073922, "alpha": 77.91340734196226, "beta": 90.0, "ga... |
agm001070450 | La2Ti4Nb | -46.726814 | 0.68546 | 0.0003 | 1.387243 | 7 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.87309267, 0.0, 0.0], [0.0, 4.87309267, 0.0], [2.43654633, 2.43654633, 7.86725891]], "pbc": [true, true, true], "a": 4.87309267, "b": 4.87309267, "c": 8.58878796999014, "alpha": 73.51948871248625, "beta": 73.519488712486... |
agm005448679 | CuIr4Cl | -34.904107 | 1.230484 | 0.0172 | 5.271204 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.71739977, 3.71739977], [3.71739977, 0.0, 3.71739977], [3.71739977, 3.71739977, 0.0]], "pbc": [true, true, true], "a": 5.257197171496625, "b": 5.257197171496625, "c": 5.257197171496625, "alpha": 60.00000000000001, "... |
agm002812968 | CaYW2 | -56.636154 | 1.513108 | 0.0003 | 0.000005 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.12221911, 0.0, 0.0], [0.0, 8.12221911, -0.0], [4.06110956, 4.06110956, 2.7659482]], "pbc": [true, true, true], "a": 8.12221911, "b": 8.12221911, "c": 6.37461302054721, "alpha": 50.42591157474235, "beta": 50.425911574742... |
agm003559766 | TbY3N4 | -70.807081 | 0.001359 | 0.107 | 0 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.92661695, 0.0, 0.0], [0.0, 4.92661695, 0.0], [0.0, 0.0, 4.92661695]], "pbc": [true, true, true], "a": 4.92661695, "b": 4.92661695, "c": 4.92661695, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 119.5766521573996... |
agm002003835 | ZnGa2P | -12.388088 | 0.296198 | 0 | 0.000002 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.6063841, 0.0, 0.0], [1.80319205, 3.12322025, 0.0], [1.80319205, 1.04107342, 7.71502399]], "pbc": [true, true, true], "a": 3.6063841, "b": 3.6063841031139856, "c": 7.991053159708626, "alpha": 76.95881628516857, "beta": 7... |
agm005584933 | Ni21(B3Mo)2 | -189.798186 | 0.008918 | 0.0497 | -0.000177 | 29 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.43012394, 0.0, 3.71243445], [2.14337465, 6.06237929, 3.71243445], [0.0, 0.0, 7.4248679]], "pbc": [true, true, true], "a": 7.424867906522508, "b": 7.424868153147929, "c": 7.4248679, "alpha": 59.99999667257821, "beta": 59... |
agm003021626 | Sr(ZrIn)2 | -49.849489 | 0.205918 | 0.006 | 0.000454 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[9.00398177, 0.0, 0.0], [0.0, 9.00398177, 0.0], [0.0, 0.0, 3.2152799]], "pbc": [true, true, true], "a": 9.00398177, "b": 9.00398177, "c": 3.2152799, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 260.6681679674841},... |
agm005598544 | HoNpCo10 | -89.505239 | 0.040313 | 0.0017 | 10.101732 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.98102395, 0.0, 0.0], [0.0, 4.88409798, 0.0], [0.0, 0.0, 8.36429936]], "pbc": [true, true, true], "a": 3.98102395, "b": 4.88409798, "c": 8.36429936, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 162.6330197453873... |
agm002628782 | ZnTcPb3 | -20.542897 | 0.461898 | 0 | 0.000114 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.33703755, 0.0, 0.0], [0.0, 5.33703755, 0.0], [0.0, 0.0, 5.33703755]], "pbc": [true, true, true], "a": 5.33703755, "b": 5.33703755, "c": 5.33703755, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 152.0200164496234... |
agm005064984 | CaGaTeO5 | -94.566199 | 0.087329 | 0.4035 | 0 | 16 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.79204969, 0.02697424, -0.08843667], [-1.66497915, 5.54764921, -0.08843667], [-1.82125884, -2.46005783, 6.9931277]], "pbc": [true, true, true], "a": 5.792787607504125, "b": 5.792787616661691, "c": 7.633655960136647, "alp... |
agm005065397 | CaNpGaO5 | -127.803399 | 0.051248 | 0.0378 | 4.000001 | 16 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.88324734, -0.01457302, -0.06647921], [-1.73133864, 5.6227465, -0.06647921], [-1.80623263, -2.43976125, 7.2222659]], "pbc": [true, true, true], "a": 5.883640974931358, "b": 5.883640979443046, "c": 7.834285927956746, "alp... |
agm041736561 | Ho3Tm(ThRu3)2 | -94.176488 | 0.009928 | 0.0019 | 0.000002 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[7.26312344, 4.2106406, 0.02752437], [-7.26312344, 4.2106406, 0.02752437], [0.0, 2.78456429, 3.99375]], "pbc": [true, true, true], "a": 8.395428158110203, "b": 8.395428158110203, "c": 4.868658680544694, "alpha": 73.1696845... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.