[ { "cod": "4115571", "formula": "O64Si32", "sg": "12", "aV": -6.52, "se": 1.26, "f": 0.556, "twoc": 0.667, "dense": false, "nT": 3, "r2": 0.9639, "sig_neg_axes": 2, "dom": 0.389, "flip": false, "term_accel": 1.0, "trans_score": 0, "verdict": "short series (<4 pts) - unclassifiable", "alpha_inst": [ -5.1, -10.3 ], "T_mid": [ 135, 290 ], "title": "Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR", "journal": "Journal of the American Chemical Society" }, { "cod": "4113632", "formula": "O72Si36", "sg": "71", "aV": -26.87, "se": 1.63, "f": 0.556, "twoc": 0.667, "dense": false, "nT": 4, "r2": 0.9927, "sig_neg_axes": 3, "dom": 0.374, "flip": false, "term_accel": 1.0, "trans_score": 0, "verdict": "floppy: phonon mechanism available", "alpha_inst": [ -21.4, -30.7, -29.5 ], "T_mid": [ 452, 482, 505 ], "title": "An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite", "journal": "Journal of the American Chemical Society" }, { "cod": "4100927", "formula": "C6CdN6Pt", "sg": "225", "aV": -19.32, "se": 2.14, "f": 0.571, "twoc": 0.857, "dense": false, "nT": 7, "r2": 0.9421, "sig_neg_axes": 3, "dom": 0.333, "flip": false, "term_accel": 2.26, "trans_score": 0, "verdict": "floppy: phonon mechanism available", "alpha_inst": [ 17.5, -7.1, -21.9, -15.0, -32.9, -22.7 ], "T_mid": [ 38, 75, 125, 188, 262, 338 ], "title": "Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Z", "journal": "Journal of the American Chemical Society" }, { "cod": "4100933", "formula": "C6N6PtZn", "sg": "225", "aV": -12.24, "se": 4.42, "f": 0.571, "twoc": 0.857, "dense": false, "nT": 5, "r2": 0.7189, "sig_neg_axes": 3, "dom": 0.333, "flip": true, "term_accel": 3.26, "trans_score": 0, "verdict": "floppy: phonon mechanism available", "alpha_inst": [ -8.0, 8.0, -20.9, -31.2 ], "T_mid": [ 125, 188, 262, 338 ], "title": "Guest-Dependent Negative Thermal Expansion in Nanoporous Prussian Blue Analogues MIIPtIV(CN)6.x{H2O} (0 =< x =< 2; M = Z", "journal": "Journal of the American Chemical Society" }, { "cod": "7100934", "formula": "C6CoErN6", "sg": "194", "aV": -25.29, "se": 1.6, "f": 0.571, "twoc": 0.857, "dense": false, "nT": 5, "r2": 0.9881, "sig_neg_axes": 3, "dom": 0.358, "flip": false, "term_accel": 1.43, "trans_score": 0, "verdict": "floppy: phonon mechanism available", "alpha_inst": [ -19.9, -21.6, -24.9, -34.4 ], "T_mid": [ 125, 188, 262, 338 ], "title": "Dehydration of the nanoporous coordination framework ErIII[CoIII(CN)6]4H2O: single crystal to single crystal transformat", "journal": "Chemical Communications" }, { "cod": "4001208", "formula": "O12Sc2W3", "sg": "60", "aV": -8.08, "se": 0.18, "f": 0.529, "twoc": 0.706, "dense": false, "nT": 26, "r2": 0.992, "sig_neg_axes": 2, "dom": 0.469, "flip": false, "term_accel": 0.92, "trans_score": 0, "verdict": "floppy: phonon mechanism available", "alpha_inst": [ 3.2, -1.6, -4.8, -5.6, -7.7, -16.0, -8.6, -8.8, -8.5, -7.8, -7.9, -8.0, -8.9, -8.4, -7.8, -8.0, -7.6, -7.1, -6.3, -6.0, -5.5, -5.2, -5.4, -6.0, -7.9 ], "T_mid": [ 30, 75, 125, 175, 225, 275, 325, 375, 425, 475, 525, 575, 625, 675, 725, 775, 825, 875, 925, 1000, 1075, 1125, 1175, 1225, 1275 ], "title": "Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3", "journal": "Chemistry of Materials" }, { "cod": "2300499", "formula": "K0.5Na0.5NbO3", "sg": "38", "aV": -141.92, "se": 25.85, "f": -0.467, "twoc": 0.0, "dense": true, "nT": 10, "r2": 0.9555, "sig_neg_axes": 2, "dom": 0.547, "flip": true, "term_accel": 0.51, "trans_score": 2, "verdict": "transition-like (score 2/4)", "alpha_inst": [ 26.5, 13.8, 11.0, -8.1, 7.3, 40.7, 7.6, -5.5, 15.1 ], "T_mid": [ 344, 402, 422, 436, 440, 446, 450, 456, 460 ], "title": "Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~", "journal": "Journal of Applied Crystallography" }, { "cod": "4326809", "formula": "C12O6Sc", "sg": "70", "aV": -24.38, "se": 0.75, "f": 0.579, "twoc": 0.632, "dense": false, "nT": 6, "r2": 0.9962, "sig_neg_axes": 2, "dom": 0.712, "flip": false, "term_accel": 0.92, "trans_score": 0, "verdict": "floppy: phonon mechanism available", "alpha_inst": [ -30.5, -21.5, -22.5, -23.3, -24.3 ], "T_mid": [ 286, 348, 398, 448, 498 ], "title": "Structural Chemistry, monoclinic-to-orthorhombic Phase Transition, and CO2 Adsorption Behavior of the Small Pore Scandiu", "journal": "Inorganic Chemistry" }, { "cod": "2107528", "formula": "O3PbTi", "sg": "99", "aV": -13.97, "se": 3.35, "f": -0.4, "twoc": 0.2, "dense": true, "nT": 8, "r2": 0.7432, "sig_neg_axes": 1, "dom": 0.555, "flip": false, "term_accel": 25.29, "trans_score": 3, "verdict": "transition-like (score 3/4)", "alpha_inst": [ 5.3, -1.8, -5.0, -18.5, -41.6, -72.2, -106.8 ], "T_mid": [ 336, 423, 523, 623, 698, 733, 748 ], "title": "High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases", "journal": "Acta Crystallographica Section B" }, { "cod": "4003984", "formula": "GaMo4Se8", "sg": "44", "aV": -18.07, "se": 1.7, "f": 0.128, "twoc": 0.0, "dense": true, "nT": 5, "r2": 0.0007, "sig_neg_axes": 0, "dom": 0.494, "flip": true, "term_accel": 1.13, "trans_score": 2, "verdict": "transition-like (score 2/4)", "alpha_inst": [ 8.1, -22.3, -10.9, -23.4 ], "T_mid": [ 16, 32, 38, 42 ], "title": "Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spin", "journal": "Chemistry of Materials" }, { "cod": "1570964", "formula": "C96Eu12O76", "sg": "225", "aV": -104.76, "se": 37.52, "f": 0.527, "twoc": 0.218, "dense": false, "nT": 5, "r2": 0.7221, "sig_neg_axes": 3, "dom": 0.333, "flip": true, "term_accel": 0.54, "trans_score": 0, "verdict": "floppy: phonon mechanism available", "alpha_inst": [ 175.2, -275.2, -84.1, -160.1 ], "T_mid": [ 125, 175, 225, 275 ], "title": "Regulating luminescence thermal enhancement in negative thermal expansion metal-organic frameworks.", "journal": "Chemical science" } ]