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 |
|---|---|---|---|---|---|---|---|
agm004629402 | Pr2Nd3Y6Sc | -68.704037 | 0.032843 | 0.0078 | 0.000006 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.2307936, -0.00075781, 0.00317187], [-3.11453665, 5.39652211, 0.00317187], [-1.04237485, -1.80486048, 11.70328373]], "pbc": [true, true, true], "a": 6.230794453425362, "b": 6.23079445084424, "c": 11.887426834477724, "alp... |
agm049041954 | NaPmS2 | -86.234112 | 0.000912 | 2.0199 | 0.000001 | 16 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 5.79615702, 5.79615702], [5.79615702, 0.0, 5.79615702], [5.79615702, 5.79615702, 0.0]], "pbc": [true, true, true], "a": 8.197003867328023, "b": 8.197003867328023, "c": 8.197003867328023, "alpha": 60.00000000000001, "... |
agm003233864 | Ca2W3O8 | -191.118246 | 0.085864 | 2.7938 | 12.000001 | 26 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.52957327, -0.0, 0.0], [-3.26478764, 5.65477646, 0.0], [0.0, 0.0, 10.27704057]], "pbc": [true, true, true], "a": 6.52957327, "b": 6.529573887082288, "c": 10.27704057, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000705671... |
agm002448606 | OsI3Cl | -9.192921 | 1.803228 | 0 | 5.228093 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.7199879, 0.0, 0.0], [0.0, 5.7199879, 0.0], [0.0, 0.0, 5.7199879]], "pbc": [true, true, true], "a": 5.7199879, "b": 5.7199879, "c": 5.7199879, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 187.14806032459234}, "p... |
agm001465624 | HfZr2SeN | -35.258794 | 2.0038 | 0 | 0.107774 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.1952518, 0.0, 0.0], [0.0, 3.86263683, 0.0], [0.0, 0.0, 5.1952518]], "pbc": [true, true, true], "a": 5.1952518, "b": 3.86263683, "c": 5.1952518, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 104.25504501706438}, ... |
agm003310069 | Pm2Y3Hg2 | -31.160635 | 0.086821 | 0 | -0.000003 | 7 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.43874817, 0.00048303, 0.00012549], [-2.71896538, 4.69888667, -0.35601273], [-3.458e-05, -2.52228655, 8.2239118]], "pbc": [true, true, true], "a": 5.438748192897339, "b": 5.4405012396896195, "c": 8.602014574254447, "alph... |
agm001551640 | HfCrPdF2 | -32.650711 | 0.910817 | 0 | 4.429872 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.01437853, 0.0, 0.0], [0.0, 5.97639901, 0.0], [0.0, 0.0, 4.01437853]], "pbc": [true, true, true], "a": 4.01437853, "b": 5.97639901, "c": 4.01437853, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 96.31107439308899... |
agm001512479 | NaBe2VTe | -13.188743 | 2.032943 | 0 | 0.08401 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.73327303, 0.0, 0.0], [0.0, 5.32491865, 0.0], [0.0, 0.0, 4.73327303]], "pbc": [true, true, true], "a": 4.73327303, "b": 5.32491865, "c": 4.73327303, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 119.2988042398822... |
agm006190798 | Li2(TiH3)3 | -58.789846 | 0.363074 | 0 | 0.019662 | 14 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.38030591, -9e-08, 0.0], [-2.19015361, 3.79345716, -0.0], [0.0, -0.0, 5.3475317]], "pbc": [true, true, true], "a": 4.380305910000001, "b": 4.380307073727971, "c": 5.3475317, "alpha": 90.0, "beta": 90.0, "gamma": 120.0000... |
agm058133698 | CsNa2ThI6 | -32.231561 | 0.104863 | 0.035 | 1.026317 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[9.62010871, -4.02356396, -0.04229257], [9.62010871, 4.02356396, -0.04229257], [7.9670358, -0.0, 6.72782934]], "pbc": [true, true, true], "a": 10.42772013404205, "b": 10.42772013404205, "c": 10.42772012794007, "alpha": 45.... |
agm005088446 | CrInPbF6 | -92.830471 | 0.06118 | 1.9461 | 5.923126 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.14462577, 0.0, 0.0], [-3.07231289, 5.32140202, 0.0], [0.0, 0.0, 9.52946384]], "pbc": [true, true, true], "a": 6.14462577, "b": 6.144625778069828, "c": 9.52946384, "alpha": 90.0, "beta": 90.0, "gamma": 120.0000000103911,... |
agm002521613 | Mg3BiRh | -11.614506 | 1.213884 | 0 | -0.000236 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.3053616, 0.0, 0.0], [0.0, 5.3053616, 0.0], [0.0, 0.0, 5.3053616]], "pbc": [true, true, true], "a": 5.3053616, "b": 5.3053616, "c": 5.3053616, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 149.32927925952615}, "p... |
agm001504377 | Cr2CoSnF | -25.455482 | 0.97786 | 0.0037 | 9.394207 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.42932989, 0.0, 0.0], [0.0, 4.31707823, 0.0], [0.0, 0.0, 4.42932989]], "pbc": [true, true, true], "a": 4.42932989, "b": 4.31707823, "c": 4.42932989, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 84.69659924728644... |
agm001273055 | CeMgBi | -12.406194 | 0.194642 | 0 | 1.005687 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.13060473, 0.0, -0.0], [0.0, 4.90618015, -0.0], [-0.0, -2.45309007, 4.24887665]], "pbc": [true, true, true], "a": 4.13060473, "b": 4.90618015, "c": 4.906180151446523, "alpha": 119.99999992282225, "beta": 90.0, "gamma": 9... |
agm002544204 | Na3TaOs | -13.431854 | 2.840035 | 0 | 7.87008 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.78824705, 0.0, 0.0], [0.0, 5.78824705, 0.0], [0.0, 0.0, 5.78824705]], "pbc": [true, true, true], "a": 5.78824705, "b": 5.78824705, "c": 5.78824705, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 193.9282941564498... |
agm001640794 | Zr2TcMoH | -42.557905 | 0.178992 | 0 | 0.000002 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.66790037, 0.0, 0.0], [0.0, 4.66790037, 0.0], [0.0, 0.0, 3.49957122]], "pbc": [true, true, true], "a": 4.66790037, "b": 4.66790037, "c": 3.49957122, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 76.25318571143836... |
agm001535174 | NbTlMo2H | -27.114632 | 2.190409 | 0 | 2.575113 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.79491606, 0.0, 0.0], [0.0, 5.6427097, 0.0], [0.0, 0.0, 4.79491606]], "pbc": [true, true, true], "a": 4.79491606, "b": 5.6427097, "c": 4.79491606, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 129.73278023548986}... |
agm002447658 | CoAs3Cl | -15.652495 | 1.871761 | 0 | 2.057167 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.80282529, 0.0, 0.0], [0.0, 4.80282529, 0.0], [0.0, 0.0, 4.80282529]], "pbc": [true, true, true], "a": 4.80282529, "b": 4.80282529, "c": 4.80282529, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 110.7873990119478... |
agm002746157 | TiOsPb2 | -24.092251 | 0.967304 | 0.0359 | -0.000144 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.41058702, 3.41058702], [3.41058702, 0.0, 3.41058702], [3.41058702, 3.41058702, 0.0]], "pbc": [true, true, true], "a": 4.823298419337639, "b": 4.823298419337639, "c": 4.823298419337639, "alpha": 60.00000000000001, "... |
agm005086500 | CrSnPbF6 | -93.854806 | 0.150591 | 0.0536 | 8.000001 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.07396156, 0.0, 0.0], [-3.03698078, 5.26020501, 0.0], [0.0, 0.0, 9.71180605]], "pbc": [true, true, true], "a": 6.07396156, "b": 6.073961557774178, "c": 9.71180605, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000001212214... |
agm005446179 | ScIrAu4 | -28.35295 | 0.452445 | 0 | 0.000075 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.82120846, 3.82120846], [3.82120846, 0.0, 3.82120846], [3.82120846, 3.82120846, 0.0]], "pbc": [true, true, true], "a": 5.404004828786808, "b": 5.404004828786808, "c": 5.404004828786808, "alpha": 59.99999999999999, "... |
agm006885586 | TlCuAgH6 | -26.749973 | 0.258422 | 0 | -0.000001 | 9 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.39009442, -4.13976498, 0.0], [2.39009442, 4.13976498, 0.0], [0.0, 0.0, 5.37429191]], "pbc": [true, true, true], "a": 4.780188848377178, "b": 4.780188848377178, "c": 5.37429191, "alpha": 90.0, "beta": 90.0, "gamma": 120.... |
agm001462404 | TaP2OsI | -29.582224 | 1.764191 | 0.0253 | -0.000001 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.73640662, 0.0, 0.0], [0.0, 5.12762908, 0.0], [0.0, 0.0, 4.73640662]], "pbc": [true, true, true], "a": 4.73640662, "b": 5.12762908, "c": 4.73640662, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 115.0309114001548... |
agm001808635 | TaSbTe2Os | -26.886484 | 1.5497 | 0.0026 | 2.124181 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.26807548, 0.0, 0.0], [0.0, 5.26807548, 0.0], [0.0, 0.0, 4.93970313]], "pbc": [true, true, true], "a": 5.26807548, "b": 5.26807548, "c": 4.93970313, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 137.0897002390269... |
agm004256061 | FeAgAs | -14.960952 | 0.470121 | 0 | 2.970198 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.24119394, 0.0, 0.0], [2.12059697, 3.67298169, 0.0], [2.12059697, 1.22432723, 3.46292035]], "pbc": [true, true, true], "a": 4.24119394, "b": 4.2411939361751, "c": 4.241193938708389, "alpha": 59.99999999987019, "beta": 59... |
agm001019069 | PmYB | -36.243255 | 0.209477 | 0.0699 | 0.000353 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.66633074, -0.0742827, -0.43633657], [1.90480361, 6.2321082, -0.64710834], [-1.11852387, -0.37290227, 6.25788456]], "pbc": [true, true, true], "a": 3.6929512069492065, "b": 6.548755501076051, "c": 6.367987980282102, "alp... |
agm004817440 | Pm2YHfAs4 | -55.695486 | 0.006761 | 0 | -0 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.0905683, 0.0, 0.0], [0.0, 7.08854924, 0.13380678], [0.0, -2.46764681, 6.65725245]], "pbc": [true, true, true], "a": 4.0905683, "b": 7.089812027288068, "c": 7.099879644186524, "alpha": 109.25684146088115, "beta": 90.0, "... |
agm005472352 | PPb4W | -25.204666 | 1.467147 | 0 | 2.753095 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 4.40519603, 4.40519603], [4.40519603, 0.0, 4.40519603], [4.40519603, 4.40519603, 0.0]], "pbc": [true, true, true], "a": 6.229887970538115, "b": 6.229887970538115, "c": 6.229887970538115, "alpha": 59.99999999999999, "... |
agm001318677 | PmYZnCo | -20.293286 | 0.085782 | 0 | -0.000654 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.95122718, 0.0, 0.0], [2.47561359, 4.28788851, 0.0], [2.47561359, 1.42929617, 4.04266006]], "pbc": [true, true, true], "a": 4.95122718, "b": 4.951227173255405, "c": 4.951227176093677, "alpha": 59.99999998892187, "beta": ... |
agm016980030 | NaDy2TmHg4 | -19.582752 | 0.002357 | 0 | 0.000001 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.64563207, -2.60009001, 0.00728941], [8.64563207, 2.60009001, 0.00728941], [7.85994141, 0.0, 4.44171094]], "pbc": [true, true, true], "a": 9.02814903983161, "b": 9.02814903983161, "c": 9.028149037490934, "alpha": 33.4762... |
agm002210426 | NaCrSn2F6 | -48.304547 | 0.350038 | 0.0277 | 3.098359 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.01603291, 0.0, 0.0], [3.00801646, 5.21003733, -0.0], [3.00801646, 1.73667911, 4.9120703]], "pbc": [true, true, true], "a": 6.01603291, "b": 6.016032912445248, "c": 6.0160329110538795, "alpha": 59.99999996465575, "beta":... |
agm005449503 | TcNiAg4 | -22.957695 | 0.787684 | 0 | 3.481195 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.76858462, 3.76858462], [3.76858462, 0.0, 3.76858462], [3.76858462, 3.76858462, 0.0]], "pbc": [true, true, true], "a": 5.329583480554657, "b": 5.329583480554657, "c": 5.329583480554657, "alpha": 60.00000000000001, "... |
agm057153346 | NaTm(InBr3)2 | -69.194755 | 0 | 3.2828 | 0 | 20 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.12988855, 0.0, 0.0], [0.0, 7.57533305, 0.28625038], [0.0, 7.39832428, 11.2744756]], "pbc": [true, true, true], "a": 8.12988855, "b": 7.5807394163414195, "c": 13.485140051443029, "alpha": 54.5630512698947, "beta": 90.0, ... |
agm005436958 | CrIrAu4 | -28.192247 | 0.646816 | 0.0158 | 3.650152 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.81019677, 3.81019677], [3.81019677, 0.0, 3.81019677], [3.81019677, 3.81019677, 0.0]], "pbc": [true, true, true], "a": 5.38843194744416, "b": 5.38843194744416, "c": 5.38843194744416, "alpha": 59.99999999999999, "bet... |
agm004346764 | ZnCoTe | -11.692844 | 0.254321 | 0 | 0.000086 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.20301698, 0.0, 0.0], [2.10150849, 3.63991947, 0.0], [2.10150849, 1.21330649, 3.43174899]], "pbc": [true, true, true], "a": 4.20301698, "b": 4.20301697374959, "c": 4.203016976242687, "alpha": 59.999999986826076, "beta": ... |
agm013919125 | NaLa2CdHg4 | -16.750856 | 0.001461 | 0 | 0.000004 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.79325092, -2.65459585, 0.00300246], [8.79325092, 2.65459585, 0.00300246], [7.99030875, 0.0, 4.53024459]], "pbc": [true, true, true], "a": 9.185213654765148, "b": 9.185213654765148, "c": 9.185213659221589, "alpha": 33.59... |
agm004202061 | ZnCoTe2 | -14.708003 | 0.297786 | 0.037 | 0.262359 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.68810006, -0.02624922, -0.00211088], [3.21654873, 3.41068694, -0.00211088], [1.98394374, 0.84944116, 5.97480078]], "pbc": [true, true, true], "a": 4.688174020867505, "b": 4.688174014578123, "c": 6.35262366337531, "alpha... |
agm004346834 | ZnCoTe2 | -13.058277 | 0.710218 | 0 | 1.998836 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[7.15450968, 0.16416321, 6e-08], [5.00984166, 5.11032728, 6e-08], [-6.0821725, -2.63724387, 2.69556581]], "pbc": [true, true, true], "a": 7.156392828844097, "b": 7.156392832075651, "c": 7.156392428147704, "alpha": 149.1065... |
agm005592662 | CaZrNi10 | -70.760673 | 0.02235 | 0.0001 | 2.884412 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.95537108, 0.0, 0.0], [0.0, 4.83729994, 0.0], [0.0, 0.0, 8.36543782]], "pbc": [true, true, true], "a": 3.95537108, "b": 4.83729994, "c": 8.36543782, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 160.0585676973371... |
agm005475264 | CrIr4Cl | -41.685489 | 1.222149 | 0 | -0.464072 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.7097366, 3.7097366], [3.7097366, 0.0, 3.7097366], [3.7097366, 3.7097366, 0.0]], "pbc": [true, true, true], "a": 5.246359812551853, "b": 5.246359812551853, "c": 5.246359812551853, "alpha": 59.99999999999999, "beta":... |
agm005447310 | CoAgRu4 | -42.538952 | 0.753588 | 0 | 5.216125 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.59735703, 3.59735703], [3.59735703, 0.0, 3.59735703], [3.59735703, 3.59735703, 0.0]], "pbc": [true, true, true], "a": 5.087431100524197, "b": 5.087431100524197, "c": 5.087431100524197, "alpha": 59.99999999999999, "... |
agm005594571 | CaPmZn10 | -22.602762 | 0.008218 | 0 | -0 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.25903175, 0.0, 0.0], [0.0, 5.36816935, 0.0], [0.0, 0.0, 9.3022684]], "pbc": [true, true, true], "a": 4.25903175, "b": 5.36816935, "c": 9.3022684, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 212.67965731082523}... |
agm004484613 | Rb2CrPdF6 | -49.291695 | 0.115812 | 0.3864 | 4 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.34228531, 0.0, 0.0], [0.0, 6.34228531, 0.0], [3.17114266, 3.17114266, 4.15853624]], "pbc": [true, true, true], "a": 6.34228531, "b": 6.34228531, "c": 6.116021190245917, "alpha": 58.76846882081571, "beta": 58.76846882081... |
agm007151608 | Tb5(HfH)2 | -96.351858 | 0.413386 | 0.0019 | -0.000001 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.82504295, 8.4504836, 0.46685553], [-2.82504295, 8.4504836, 0.46685553], [0.0, 1.98124534, 8.953776]], "pbc": [true, true, true], "a": 8.922415302433823, "b": 8.922415302433823, "c": 9.1703564682867, "alpha": 75.18436399... |
agm005454152 | Cd4TcNi | -15.661332 | 0.730566 | 0 | 3.322771 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.89006318, 3.89006318], [3.89006318, 0.0, 3.89006318], [3.89006318, 3.89006318, 0.0]], "pbc": [true, true, true], "a": 5.50138010764421, "b": 5.50138010764421, "c": 5.50138010764421, "alpha": 59.99999999999999, "bet... |
agm002751877 | ZnTe2Br | -7.922513 | 0.776501 | 0 | -0.000002 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.67890285, 3.67890285], [3.67890285, 0.0, 3.67890285], [3.67890285, 3.67890285, 0.0]], "pbc": [true, true, true], "a": 5.202754305123032, "b": 5.202754305123032, "c": 5.202754305123032, "alpha": 59.99999999999999, "... |
agm004020198 | SiTcSe | -18.674789 | 0.741882 | 0 | 0.000096 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.21136446, 0.0, 0.0], [2.10568223, 3.64714861, 0.0], [2.10568223, 1.2157162, 3.43856468]], "pbc": [true, true, true], "a": 4.21136446, "b": 4.211364462637104, "c": 4.211364457182935, "alpha": 60.00000001631773, "beta": 5... |
agm004338268 | Zn2TeBr | -8.436417 | 0.298416 | 0 | -0.000003 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.09956666, 0.0, 0.0], [0.0, 4.09956666, 0.0], [0.0, 0.0, 5.67979463]], "pbc": [true, true, true], "a": 4.09956666, "b": 4.09956666, "c": 5.67979463, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 95.45716628279132... |
agm004475441 | Cs2CrCuF6 | -49.105078 | 0.052751 | 1.1827 | 3.110322 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.75665949, 0.0, 0.0], [0.0, 6.75665949, 0.0], [3.37832975, 3.37832975, 3.91895313]], "pbc": [true, true, true], "a": 6.75665949, "b": 6.75665949, "c": 6.1793541276258726, "alpha": 56.858236609663905, "beta": 56.858236609... |
agm001739617 | HfTeSeN2 | -26.257559 | 2.221883 | 0.1246 | 0 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.046028, 0.0, 0.0], [0.0, 4.046028, 0.0], [0.0, 0.0, 5.22821919]], "pbc": [true, true, true], "a": 4.046028, "b": 4.046028, "c": 5.22821919, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 85.58773920681614}, "prop... |
agm002552464 | Ni3AsRu | -27.180414 | 0.990055 | 0 | 3.266465 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.27910812, 0.0, 0.0], [0.0, 4.27910812, 0.0], [0.0, 0.0, 4.27910812]], "pbc": [true, true, true], "a": 4.27910812, "b": 4.27910812, "c": 4.27910812, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 78.35374876909171... |
agm005482626 | TaBe | -46.334427 | 0.272459 | 0 | -0.000006 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[1.49703766, 4.92574504, -0.00085148], [-1.49703766, 4.92574504, -0.00085148], [0.0, 1.70404307, 5.56129282]], "pbc": [true, true, true], "a": 5.14821198859964, "b": 5.14821198859964, "c": 5.816505876744094, "alpha": 73.73... |
agm005236400 | CsCrCuF6 | -90.684635 | 0 | 0.0171 | 8.000882 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[-3.64496243, 3.72901384, 5.32018142], [3.64496243, -3.72901384, 5.32018142], [3.64496243, 3.72901384, -5.32018142]], "pbc": [true, true, true], "a": 7.449538621735997, "b": 7.449538621735997, "c": 7.449538621735997, "alph... |
agm005453303 | ReW4Se | -62.358781 | 1.038628 | 0 | -0.00119 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.72708666, 3.72708666], [3.72708666, 0.0, 3.72708666], [3.72708666, 3.72708666, 0.0]], "pbc": [true, true, true], "a": 5.270896502711841, "b": 5.270896502711841, "c": 5.270896502711841, "alpha": 60.00000000000001, "... |
agm003946798 | YPbCl2 | -18.997412 | 0.338963 | 0 | 0.29694 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[11.20339763, 0.08297302, 0.04882165], [10.60526652, 3.61266175, 0.04882165], [10.60526652, 1.79713858, 3.13432631]], "pbc": [true, true, true], "a": 11.203811250259719, "b": 11.20381124589551, "c": 11.203811246781854, "al... |
agm004893696 | CsCrCu2F8 | -56.256611 | 0.123087 | 0.2696 | 0.999819 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.40733878, -3.931e-05, 0.0], [2.70370344, 4.6828731, 0.0], [2.70368074, 1.56094459, 7.79672384]], "pbc": [true, true, true], "a": 5.407338780142887, "b": 5.407338787441697, "c": 8.398532026141329, "alpha": 71.22082126689... |
agm005452704 | LiCa4Ag | -10.406174 | 0.527189 | 0 | 0.000149 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 4.87441225, 4.87441225], [4.87441225, 0.0, 4.87441225], [4.87441225, 4.87441225, 0.0]], "pbc": [true, true, true], "a": 6.893459912547553, "b": 6.893459912547553, "c": 6.893459912547553, "alpha": 59.99999999999999, "... |
agm002551405 | Ta3NbI | -36.444253 | 2.297648 | 0 | 0.470966 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.92582967, 0.0, 0.0], [0.0, 4.92582967, 0.0], [0.0, 0.0, 4.92582967]], "pbc": [true, true, true], "a": 4.92582967, "b": 4.92582967, "c": 4.92582967, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 119.5193357891577... |
agm002047282 | SiCN | -91.850577 | 0.679307 | 1.8617 | 0 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.0510303, 0.0, 0.0], [0.0, 5.24481039, 0.0], [-2.67423387, 0.0, 6.04126084]], "pbc": [true, true, true], "a": 4.0510303, "b": 5.24481039, "c": 6.606690497395249, "alpha": 90.0, "beta": 113.87712995982373, "gamma": 90.0, ... |
agm001123268 | PrYGa2 | -19.632212 | 0.047847 | 0 | 0 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.65253369, 0.0, 0.0], [0.0, 3.65253369, 0.0], [0.0, 0.0, 7.2992416]], "pbc": [true, true, true], "a": 3.65253369, "b": 3.65253369, "c": 7.2992416, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 97.37919938688339},... |
agm003006212 | As(PPb)2 | -42.576655 | 0.350511 | 0.0377 | 0 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[7.5130416, 0.0, 0.0], [0.0, 7.5130416, -0.0], [0.0, 0.0, 4.20871495]], "pbc": [true, true, true], "a": 7.5130416, "b": 7.5130416, "c": 4.20871495, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 237.56425742313488},... |
agm003514520 | Sc2CrF8 | -74.081549 | 0.05697 | 2.8908 | 3.999998 | 11 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.23427079, -0.39979538, -0.33230426], [-0.53090352, 5.40385349, 0.21559472], [-0.53090352, 1.19991026, 5.27336031]], "pbc": [true, true, true], "a": 5.260024065546727, "b": 5.434148707224109, "c": 5.434148704138023, "alp... |
agm002880778 | Ta2OsRh | -76.830196 | 1.398268 | 0.0085 | 0 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.82041713, 0.0, 0.0], [0.0, 5.82041713, 0.0], [2.91020856, 2.91020856, 5.6709792]], "pbc": [true, true, true], "a": 5.82041713, "b": 5.82041713, "c": 7.007041659090317, "alpha": 65.46013430745421, "beta": 65.460134307454... |
agm046538654 | NaTl(CuS)2 | -22.990549 | 0.009205 | 0.491 | 0 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[1.96134724, -3.39715307, 0.0], [1.96134724, 3.39715307, 0.0], [0.0, 0.0, 9.06158247]], "pbc": [true, true, true], "a": 3.9226944791642953, "b": 3.9226944791642953, "c": 9.06158247, "alpha": 90.0, "beta": 90.0, "gamma": 11... |
agm001716777 | TaTeOsI2 | -21.719733 | 1.851908 | 0.0025 | 3.823507 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.521445, 0.0, 0.0], [0.0, 5.521445, 0.0], [0.0, 0.0, 5.38988657]], "pbc": [true, true, true], "a": 5.521445, "b": 5.521445, "c": 5.38988657, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 164.3179947792198}, "prop... |
agm001741355 | CrNiO2F | -27.06771 | 0.809491 | 0 | 0.99997 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.8053176, 0.0, 0.0], [0.0, 3.8053176, 0.0], [0.0, 0.0, 3.87838279]], "pbc": [true, true, true], "a": 3.8053176, "b": 3.8053176, "c": 3.87838279, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 56.16069718738822}, "... |
agm001143977 | AcInAs2 | -18.279085 | 0.329562 | 0.1746 | -0.000094 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.23648243, 0.0, 0.0], [0.0, 4.23648243, 0.0], [0.0, 0.0, 6.68803511]], "pbc": [true, true, true], "a": 4.23648243, "b": 4.23648243, "c": 6.68803511, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 120.0354053900993... |
agm002648936 | SnSbBr2 | -11.041055 | 0.67702 | 0 | -0 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.81362808, 3.81362808], [3.81362808, 0.0, 3.81362808], [3.81362808, 3.81362808, 0.0]], "pbc": [true, true, true], "a": 5.393284552582867, "b": 5.393284552582867, "c": 5.393284552582867, "alpha": 59.99999999999999, "... |
agm005461787 | Ta2Be | -54.373175 | 0.24898 | 0.0134 | 0.000001 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[1.75580489, -6.11149185, -0.0], [1.75580489, 6.11149185, 0.0], [0.0, 0.0, 4.30407748]], "pbc": [true, true, true], "a": 6.358709259304464, "b": 6.358709259304464, "c": 4.30407748, "alpha": 90.0, "beta": 90.0, "gamma": 147... |
agm003480351 | Pr5YTl2 | -36.054109 | 0.099924 | 0.0134 | -0.000008 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.72941291, -0.0, -0.0], [1.86470646, 8.37879736, -0.80368084], [1.86470646, 1.75441863, 8.23238504]], "pbc": [true, true, true], "a": 3.72941291, "b": 8.621326943950788, "c": 8.621326948798115, "alpha": 81.05190496203242... |
agm002500485 | K3TePd | -12.488549 | 0.462597 | 0 | 0.81402 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.88226067, 0.0, 0.0], [0.0, 5.88226067, 0.0], [0.0, 0.0, 5.88226067]], "pbc": [true, true, true], "a": 5.88226067, "b": 5.88226067, "c": 5.88226067, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 203.5320460895903... |
agm003790928 | MoAs2Ru | -29.536448 | 0.286745 | 0.0007 | 0.000038 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.10698075, 0.0, 0.0], [0.0, 3.10707541, 0.0], [0.0, 0.0, 6.18578772]], "pbc": [true, true, true], "a": 3.10698075, "b": 3.10707541, "c": 6.18578772, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 59.71526562352250... |
agm007917241 | Na4Pd3 | -21.577639 | 0.018144 | 0.2669 | -0.000001 | 7 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.76838074, -4.79497609, 0.0], [2.76838074, 4.79497609, 0.0], [0.0, 0.0, 5.42971862]], "pbc": [true, true, true], "a": 5.536761474478978, "b": 5.536761474478978, "c": 5.42971862, "alpha": 90.0, "beta": 90.0, "gamma": 119.... |
agm001998937 | PrY2Ta | -26.9406 | 0.66241 | 0.0009 | 0.384819 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.31592189, -0.0, 0.0], [1.65796095, 2.87167259, 0.0], [1.65796095, 0.9572242, 11.92470138]], "pbc": [true, true, true], "a": 3.31592189, "b": 3.315921889291455, "c": 12.077401031801687, "alpha": 82.10963613453528, "beta"... |
agm001937166 | PrYLu2 | -20.149632 | 0.037739 | 0.0309 | 0.000012 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.56178147, 0.0, 0.0], [1.78089074, 3.08459324, 0.0], [1.78089074, 1.02819775, 11.50474359]], "pbc": [true, true, true], "a": 3.56178147, "b": 3.5617814761817495, "c": 11.687082078627194, "alpha": 81.23505832584215, "beta... |
agm001053035 | UPdRh | -49.44231 | 0.305995 | 0.0001 | 2.774759 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.03766418, 0.0, -0.0], [2.51883209, 4.36274516, -0.0], [2.51883209, 1.45424839, 5.25961907]], "pbc": [true, true, true], "a": 5.03766418, "b": 5.037664183797606, "c": 6.010236787260467, "alpha": 65.22283072680135, "beta"... |
agm005267022 | Na2LiCrF6 | -51.311487 | 0.058146 | 4.0352 | 3.000002 | 10 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.9230841, 3.9230841], [3.9230841, 0.0, 3.9230841], [3.9230841, 3.9230841, 0.0]], "pbc": [true, true, true], "a": 5.548078740550247, "b": 5.548078740550247, "c": 5.548078740550247, "alpha": 59.99999999999999, "beta":... |
agm001936853 | PrY2Zr | -25.880568 | 0.101295 | 0 | 0.000031 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.48961916, 0.0, 0.0], [1.74480958, 3.02209884, 0.0], [1.74480958, 1.00736628, 11.47646217]], "pbc": [true, true, true], "a": 3.48961916, "b": 3.489619158187484, "c": 11.651966839636213, "alpha": 81.38792136522217, "beta"... |
agm005440343 | Ba4SiIr | -16.140715 | 1.33577 | 0 | -0.000129 | 6 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 4.76054305, 4.76054305], [4.76054305, 0.0, 4.76054305], [4.76054305, 4.76054305, 0.0]], "pbc": [true, true, true], "a": 6.732424545570979, "b": 6.732424545570979, "c": 6.732424545570979, "alpha": 59.99999999999999, "... |
agm003692379 | Pr12Tl6Rh | -82.931819 | 0.144354 | 0 | -0.000047 | 19 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.62319616, 0.34369823, 0.41174214], [-0.96758001, 8.57562997, 0.41174215], [-0.96758, -1.12729838, 8.51117849]], "pbc": [true, true, true], "a": 8.639859494054038, "b": 8.639859492850588, "c": 8.639859488590618, "alpha":... |
agm006281556 | Mg2Bi3H2 | -21.22472 | 0.180843 | 0 | 0 | 7 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.19305297, 0.36000105, 0.27502769], [-0.68609382, 6.54234104, -0.6508377], [-0.58544701, -1.78856804, 8.84194152]], "pbc": [true, true, true], "a": 3.225031512325679, "b": 6.61033590109094, "c": 9.040002968933546, "alpha... |
agm004458323 | RbRu | -49.38145 | 1.006586 | 0 | 0.000304 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.45702, 0.0, 0.0], [0.0, 6.11662, 0.0], [0.0, 0.0, 17.6688]], "pbc": [true, true, true], "a": 3.45702, "b": 6.11662, "c": 17.6688, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 373.6116821381011}, "properties": {... |
agm002535425 | Rb3RuN | -13.95866 | 1.35036 | 0 | 3.999999 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.78952631, 0.0, 0.0], [0.0, 5.78952631, 0.0], [0.0, 0.0, 5.78952631]], "pbc": [true, true, true], "a": 5.78952631, "b": 5.78952631, "c": 5.78952631, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 194.0569028046258... |
agm003690183 | Pr12Cu6Ir | -90.807547 | 0.196038 | 0 | 0 | 19 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[8.45509063, 0.06501828, 0.07789034], [-1.21755343, 8.36721869, 0.07789033], [-1.21755344, -1.41853489, 8.24646435]], "pbc": [true, true, true], "a": 8.455699370443186, "b": 8.455699371707675, "c": 8.45569937315797, "alpha... |
agm001733376 | HfCdSeN2 | -24.014134 | 2.400402 | 0 | 0.000004 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.11320104, 0.0, 0.0], [0.0, 4.11320104, 0.0], [0.0, 0.0, 5.10377457]], "pbc": [true, true, true], "a": 4.11320104, "b": 4.11320104, "c": 5.10377457, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 86.34781602796215... |
agm005589635 | CaScCu10 | -50.753433 | 0.023252 | 0 | 0.000001 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.05957836, 0.0, 0.0], [0.0, 5.01796337, 0.0], [0.0, 0.0, 8.67175354]], "pbc": [true, true, true], "a": 4.05957836, "b": 5.01796337, "c": 8.67175354, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 176.650691495267}... |
agm002689959 | KY2Ir | -22.472225 | 0.6371 | 0 | 0 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.66605997, 3.66605997], [3.66605997, 0.0, 3.66605997], [3.66605997, 3.66605997, 0.0]], "pbc": [true, true, true], "a": 5.184591730047102, "b": 5.184591730047102, "c": 5.184591730047102, "alpha": 59.99999999999999, "... |
agm004937555 | Tl2CrCuF6 | -95.90935 | 0.044507 | 0.7454 | 5.901696 | 20 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.36340789, 0.0, 0.0], [0.0, 6.36390538, 0.0], [0.0, 0.0, 7.84817975]], "pbc": [true, true, true], "a": 6.36340789, "b": 6.36390538, "c": 7.84817975, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 317.8208737216809... |
agm001576282 | YSiTc2Pt | -28.227643 | 2.841325 | 0 | 4.181116 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.91074375, 0.0, 0.0], [0.0, 5.03398526, 0.0], [0.0, 0.0, 4.91074375]], "pbc": [true, true, true], "a": 4.91074375, "b": 5.03398526, "c": 4.91074375, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 121.3965891718203... |
agm001829595 | La3Eu | -24.843132 | 0.053403 | 0.0037 | 7.321375 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.79502468, 0.0, 0.0], [0.0, 6.07428884, 0.0], [0.0, 0.0, 6.60502815]], "pbc": [true, true, true], "a": 3.79502468, "b": 6.07428884, "c": 6.60502815, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 152.2596113004879... |
agm001733801 | HfSeN2F | -30.045406 | 1.896529 | 0 | -0.000233 | 5 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.05945939, 0.0, 0.0], [0.0, 4.05945939, 0.0], [0.0, 0.0, 5.5066867]], "pbc": [true, true, true], "a": 4.05945939, "b": 4.05945939, "c": 5.5066867, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 90.74584950193697},... |
agm001216750 | NaPr2Y | -16.601842 | 0.188811 | 0.0696 | -0.00003 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[3.78412637, 0.0, 0.0], [0.0, 6.02847853, 0.0], [0.0, 0.0, 6.02847853]], "pbc": [true, true, true], "a": 3.78412637, "b": 6.02847853, "c": 6.02847853, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 137.5248146236344... |
agm004890638 | Li2MnCrF8 | -64.967444 | 0.137487 | 1.35 | 6.999999 | 12 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[5.62660232, 0.60037544, -0.0], [-1.95743356, 5.30919563, -0.0], [-1.83458438, -2.95478553, 4.46347925]], "pbc": [true, true, true], "a": 5.658542598265438, "b": 5.658542602068607, "c": 5.658542603075277, "alpha": 112.1967... |
agm005972214 | NaSm5Sn3 | -84.100251 | 0.06065 | 0.0185 | 0.002213 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[6.57597719, 0.0, 0.0], [0.0, 8.27726575, -4.77895848], [0.0, 3.613e-05, 9.55774746]], "pbc": [true, true, true], "a": 6.57597719, "b": 9.5578016536067, "c": 9.557747460068288, "alpha": 120.00018249010269, "beta": 90.0, "g... |
agm004832606 | LiPu2ThTe4 | -59.165713 | 0.03418 | 0.0021 | 11.826072 | 8 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.3947546, 0.0, 0.0], [0.0, 7.66310333, 0.15423641], [0.0, -2.65666915, 7.19982597]], "pbc": [true, true, true], "a": 4.3947546, "b": 7.664655342311667, "c": 7.6743328681292, "alpha": 109.1005491890867, "beta": 90.0, "gam... |
agm002686006 | LaWI2 | -18.455651 | 1.694569 | 0 | 0.000248 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.72976091, 3.72976091], [3.72976091, 0.0, 3.72976091], [3.72976091, 3.72976091, 0.0]], "pbc": [true, true, true], "a": 5.274678463331017, "b": 5.274678463331017, "c": 5.274678463331017, "alpha": 59.99999999999999, "... |
agm004154133 | PRuW | -28.209625 | 0.183985 | 0 | 0 | 3 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[-1.45574304, 1.45574304, 4.86218547], [1.45574304, -1.45574304, 4.86218547], [1.45574304, 1.45574304, -4.86218547]], "pbc": [true, true, true], "a": 5.280077948448868, "b": 5.280077948448868, "c": 5.280077948448868, "alph... |
agm006524029 | SrCo5H12 | -79.011502 | 0.015259 | 0 | 0.944186 | 18 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[2.85499569, -4.94499759, 0.0], [2.85499569, 4.94499759, 0.0], [0.0, 0.0, 4.20081882]], "pbc": [true, true, true], "a": 5.709991379592826, "b": 5.709991379592826, "c": 4.20081882, "alpha": 90.0, "beta": 90.0, "gamma": 119.... |
agm002722605 | FeAg2P | -16.281792 | 1.122018 | 0 | 0.023309 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[0.0, 3.14322292, 3.14322292], [3.14322292, 0.0, 3.14322292], [3.14322292, 3.14322292, 0.0]], "pbc": [true, true, true], "a": 4.445188483025962, "b": 4.445188483025962, "c": 4.445188483025962, "alpha": 60.00000000000001, "... |
agm004427793 | PRu2W | -35.964533 | 0.558076 | 0 | 0.000121 | 4 | {"@module": "pymatgen.core.structure", "@class": "Structure", "charge": 0, "lattice": {"matrix": [[4.01568083, 0.0, 0.0], [0.0, 4.01568083, 0.0], [0.0, 0.0, 3.50721156]], "pbc": [true, true, true], "a": 4.01568083, "b": 4.01568083, "c": 3.50721156, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 56.55621524871353... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.