material_id stringlengths 4 11 | formula_pretty stringlengths 1 24 | density float64 0.04 24.3 | density_atomic float64 5.96 742 | total_magnetization float64 0 256 | num_magnetic_sites int64 0 134 | chemsys stringlengths 1 21 | ordering stringclasses 5
values | nelements int64 1 8 | nsites int64 1 444 | formation_energy_per_atom float64 -5.15 0.1 | band_gap float64 0 17.9 | symmetry stringclasses 7
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1183268 | AcEuMg2 | 5.187278 | 34.218491 | 7.528943 | 0 | Ac-Eu-Mg | Unknown | 3 | 4 | -0.054029 | 0 | cubic |
mp-1183124 | AcEuZn2 | 7.503162 | 28.205208 | 7.0232 | 0 | Ac-Eu-Zn | Unknown | 3 | 4 | -0.261696 | 0 | cubic |
mp-977360 | AcF3 | 8.787879 | 13.415784 | 0.090989 | 0 | Ac-F | Unknown | 2 | 4 | -4.408426 | 7.4101 | cubic |
mp-985278 | AcF3 | 8.793765 | 13.406804 | 0.045431 | 0 | Ac-F | Unknown | 2 | 4 | -4.41308 | 6.0693 | tetragonal |
mp-861502 | AcFeO3 | 8.889999 | 12.359462 | 4.254276 | 0 | Ac-Fe-O | Unknown | 3 | 5 | -2.771539 | 1.0084 | cubic |
mp-867815 | AcGa3 | 7.711083 | 23.481645 | 0 | 0 | Ac-Ga | Unknown | 2 | 8 | -0.59593 | 0 | hexagonal |
mp-1183053 | AcGaO3 | 9.314495 | 12.291016 | 0 | 0 | Ac-Ga-O | Unknown | 3 | 5 | -3.063253 | 2.8959 | cubic |
mp-862665 | AcGe3 | 7.858577 | 23.503208 | 0 | 0 | Ac-Ge | Unknown | 2 | 8 | -0.44433 | 0 | hexagonal |
mp-24147 | AcH2 | 7.345136 | 17.258125 | 0.000015 | 0 | Ac-H | Unknown | 2 | 3 | -0.684334 | 0 | cubic |
mp-861605 | AcH3 | 7.784734 | 12.266429 | 0 | 0 | Ac-H | Unknown | 2 | 4 | -0.671802 | 0.6407 | cubic |
mp-862289 | AcHg3 | 12.29132 | 27.991398 | 0 | 0 | Ac-Hg | Unknown | 2 | 8 | -0.477239 | 0 | hexagonal |
mp-861966 | AcHgAu2 | 13.529897 | 25.206608 | 0.000002 | 0 | Ac-Au-Hg | Unknown | 3 | 4 | -0.657634 | 0 | cubic |
mp-1183060 | AcHgRh2 | 12.771599 | 20.588399 | 0.000003 | 0 | Ac-Hg-Rh | Unknown | 3 | 4 | -0.32169 | 0 | cubic |
mp-861867 | AcI3 | 4.33442 | 58.204552 | 0 | 0 | Ac-I | Unknown | 2 | 8 | -1.801003 | 2.5886 | hexagonal |
mp-867297 | AcIn3 | 8.115717 | 29.230987 | 0.000001 | 0 | Ac-In | Unknown | 2 | 8 | -0.550709 | 0 | hexagonal |
mp-1183121 | AcInAg2 | 9.17897 | 25.21636 | 0.000004 | 0 | Ac-Ag-In | Unknown | 3 | 4 | -0.327194 | 0 | cubic |
mp-862860 | AcInAu2 | 12.104971 | 25.232269 | 0.000019 | 0 | Ac-Au-In | Unknown | 3 | 4 | -0.712694 | 0 | cubic |
mp-867321 | AcInHg2 | 11.066496 | 27.871903 | 0 | 0 | Ac-Hg-In | Unknown | 3 | 4 | -0.510612 | 0 | cubic |
mp-1183049 | AcLa | 7.173638 | 42.349525 | 0.000015 | 0 | Ac-La | Unknown | 2 | 2 | 0.032033 | 0 | hexagonal |
mp-985059 | AcLa3 | 6.793603 | 39.335394 | 0.000002 | 0 | Ac-La | Unknown | 2 | 4 | 0.025576 | 0 | tetragonal |
mp-1183051 | AcLa3 | 6.638509 | 40.254382 | 0.778877 | 0 | Ac-La | Unknown | 2 | 8 | 0.032625 | 0 | hexagonal |
mp-1183118 | AcLaCd2 | 7.647226 | 32.068036 | 0.705301 | 0 | Ac-Cd-La | Unknown | 3 | 4 | -0.274912 | 0 | cubic |
mp-1183101 | AcLaMg2 | 5.177322 | 33.237216 | 0.002201 | 0 | Ac-La-Mg | Unknown | 3 | 4 | -0.067829 | 0 | cubic |
mp-866286 | AcMg | 5.928425 | 35.194997 | 0.000006 | 0 | Ac-Mg | Unknown | 2 | 2 | -0.059894 | 0 | cubic |
mp-1184231 | AcMg149 | 1.829015 | 23.293022 | 0.042841 | 0 | Ac-Mg | NM | 2 | 150 | 0.009979 | 0.2168 | hexagonal |
mp-984785 | AcMg3 | 4.364696 | 28.525499 | 0.000001 | 0 | Ac-Mg | Unknown | 2 | 4 | -0.031548 | 0 | cubic |
mp-1183237 | AcMg3 | 4.172201 | 29.841597 | 0.000002 | 0 | Ac-Mg | Unknown | 2 | 8 | -0.014329 | 0 | hexagonal |
mp-864996 | AcMg5 | 3.533703 | 27.296168 | 0.000001 | 0 | Ac-Mg | NM | 2 | 6 | -0.034252 | 0 | hexagonal |
mp-1525815 | AcMg5 | 3.53326 | 27.299595 | 0 | 0 | Ac-Mg | Unknown | 2 | 6 | -0.035826 | 0 | hexagonal |
mp-865979 | AcMgCd2 | 7.124021 | 27.745128 | 0.000004 | 0 | Ac-Cd-Mg | Unknown | 3 | 4 | -0.238416 | 0 | cubic |
mp-866225 | AcMgHg2 | 9.905053 | 27.346567 | 0.000001 | 0 | Ac-Hg-Mg | Unknown | 3 | 4 | -0.421982 | 0 | cubic |
mp-1183142 | AcMgO3 | 7.671748 | 12.956751 | 1.000003 | 3 | Ac-Mg-O | FM | 3 | 5 | -3.001845 | 0 | cubic |
mp-861735 | AcMgTl2 | 9.226817 | 29.698071 | 0 | 0 | Ac-Mg-Tl | Unknown | 3 | 4 | -0.242558 | 0 | cubic |
mp-1183182 | AcMgZn2 | 6.562467 | 24.1727 | 0.000002 | 0 | Ac-Mg-Zn | Unknown | 3 | 4 | -0.235832 | 0 | cubic |
mp-864911 | AcMnO3 | 8.802373 | 12.44828 | 3.999993 | 0 | Ac-Mn-O | Unknown | 3 | 5 | -2.97363 | 0 | cubic |
mp-866056 | AcN | 8.013618 | 24.970059 | 0 | 0 | Ac-N | Unknown | 2 | 4 | -1.322563 | 0.0615 | hexagonal |
mp-1183235 | AcNd3 | 7.222751 | 37.918403 | 0.000033 | 0 | Ac-Nd | Unknown | 2 | 4 | 0.037401 | 0 | tetragonal |
mp-1183259 | AcNd3 | 7.140601 | 38.354641 | 0.000089 | 0 | Ac-Nd | Unknown | 2 | 8 | 0.037043 | 0 | hexagonal |
mp-1183179 | AcNdMg2 | 5.438493 | 32.048432 | 0.17784 | 0 | Ac-Mg-Nd | NM | 3 | 4 | -0.055584 | 0 | cubic |
mp-1183139 | AcNiO3 | 9.494943 | 11.671644 | 0.000003 | 0 | Ac-Ni-O | Unknown | 3 | 5 | -2.455477 | 0 | cubic |
mp-36526 | AcOF | 8.272058 | 17.531211 | 0 | 0 | Ac-F-O | Unknown | 3 | 3 | -4.159174 | 4.2561 | cubic |
mp-867422 | AcPbAu2 | 13.159635 | 26.124346 | 0.000017 | 0 | Ac-Au-Pb | Unknown | 3 | 4 | -0.682726 | 0 | cubic |
mp-1183145 | AcPdO3 | 9.497547 | 13.337335 | 0.000019 | 0 | Ac-O-Pd | Unknown | 3 | 5 | -2.236955 | 0 | cubic |
mp-1183241 | AcPm3 | 7.395099 | 37.162343 | 0.000002 | 0 | Ac-Pm | Unknown | 2 | 4 | 0.042095 | 0 | tetragonal |
mp-1183264 | AcPm3 | 7.316926 | 37.55938 | 0.000181 | 0 | Ac-Pm | Unknown | 2 | 8 | 0.038333 | 0 | hexagonal |
mp-1183239 | AcPr3 | 6.963544 | 38.73352 | 0.000188 | 0 | Ac-Pr | Unknown | 2 | 4 | 0.042427 | 0 | tetragonal |
mp-1183266 | AcPr3 | 6.906064 | 39.055908 | 0.00012 | 0 | Ac-Pr | Unknown | 2 | 8 | 0.045716 | 0 | hexagonal |
mp-1183181 | AcPrMg2 | 5.302762 | 32.607715 | 0.000015 | 0 | Ac-Mg-Pr | Unknown | 3 | 4 | -0.057254 | 0 | cubic |
mp-1183220 | AcRh2Pb | 12.201404 | 21.77543 | 0.340991 | 0 | Ac-Pb-Rh | Unknown | 3 | 4 | -0.346064 | 0 | cubic |
mp-1183152 | AcScO3 | 7.569207 | 14.03836 | 0.000074 | 0 | Ac-O-Sc | NM | 3 | 5 | -3.82906 | 3.3847 | cubic |
mp-1183230 | AcSm3 | 7.684887 | 36.629632 | 0.000002 | 0 | Ac-Sm | Unknown | 2 | 4 | 0.047458 | 0 | tetragonal |
mp-1183260 | AcSm3 | 7.597857 | 37.049206 | 0.030273 | 0 | Ac-Sm | Unknown | 2 | 8 | 0.039414 | 0 | hexagonal |
mp-865957 | AcSnAu2 | 12.16953 | 25.231179 | 0.000001 | 0 | Ac-Au-Sn | Unknown | 3 | 4 | -0.700156 | 0 | cubic |
mp-1183197 | AcSnHg2 | 10.994029 | 28.202583 | 0 | 0 | Ac-Hg-Sn | Unknown | 3 | 4 | -0.482384 | 0 | cubic |
mp-1183217 | AcTb3 | 8.302057 | 35.191507 | 0.000002 | 0 | Ac-Tb | Unknown | 2 | 4 | 0.070871 | 0 | tetragonal |
mp-865927 | AcTiO3 | 8.403353 | 12.759914 | 0.160968 | 0 | Ac-O-Ti | Unknown | 3 | 5 | -3.607636 | 0 | cubic |
mp-865958 | AcTlAg2 | 10.480982 | 25.631365 | 0 | 0 | Ac-Ag-Tl | Unknown | 3 | 4 | -0.236608 | 0 | cubic |
mp-865952 | AcTlAu2 | 13.191266 | 25.973061 | 0.000056 | 0 | Ac-Au-Tl | Unknown | 3 | 4 | -0.648519 | 0 | cubic |
mp-984551 | AcTlHg2 | 12.094411 | 28.577331 | 0.000005 | 0 | Ac-Hg-Tl | Unknown | 3 | 4 | -0.453474 | 0 | cubic |
mp-1183199 | AcTlRh2 | 12.444575 | 21.255969 | 0.000052 | 0 | Ac-Rh-Tl | Unknown | 3 | 4 | -0.345514 | 0 | cubic |
mp-865028 | AcTlTe2 | 8.430613 | 33.808287 | 0 | 0 | Ac-Te-Tl | Unknown | 3 | 4 | -1.251403 | 0.6217 | cubic |
mp-1183168 | AcVO3 | 8.663746 | 12.494263 | 2 | 0 | Ac-O-V | Unknown | 3 | 5 | -3.141069 | 0 | cubic |
mp-1183183 | AcY3 | 5.6993 | 35.962189 | 0.899285 | 0 | Ac-Y | Unknown | 2 | 4 | 0.095069 | 0 | cubic |
mp-1183226 | AcY3 | 5.679707 | 36.086248 | 0.799882 | 0 | Ac-Y | Unknown | 2 | 4 | 0.098555 | 0 | tetragonal |
mp-1183236 | AcYb3 | 9.32306 | 33.223037 | 0.000004 | 0 | Ac-Yb | NM | 2 | 4 | 0.097318 | 0 | cubic |
mp-1183196 | AcYbAg2 | 9.545474 | 26.780251 | 0 | 0 | Ac-Ag-Yb | NM | 3 | 4 | -0.232559 | 0 | cubic |
mp-979962 | AcYbCd2 | 8.803171 | 29.466874 | 0.000001 | 0 | Ac-Cd-Yb | NM | 3 | 4 | -0.287294 | 0 | cubic |
mp-979981 | AcYbGa2 | 8.714844 | 25.698613 | 0 | 0 | Ac-Ga-Yb | NM | 3 | 4 | -0.500596 | 0 | cubic |
mp-866203 | AcYbHg2 | 11.574482 | 28.73686 | 0 | 0 | Ac-Hg-Yb | NM | 3 | 4 | -0.485261 | 0 | cubic |
mp-979950 | AcYbMg2 | 6.124934 | 30.408524 | 0.000001 | 0 | Ac-Mg-Yb | NM | 3 | 4 | -0.042261 | 0 | cubic |
mp-1183192 | AcYbTl2 | 11.012767 | 30.488589 | 0.000003 | 0 | Ac-Tl-Yb | NM | 3 | 4 | -0.378424 | 0 | cubic |
mp-865953 | AcYbZn2 | 8.579684 | 25.685983 | 0.022409 | 0 | Ac-Yb-Zn | NM | 3 | 4 | -0.242078 | 0 | cubic |
mp-1183190 | AcZn2In | 7.981026 | 24.584262 | 0.000423 | 0 | Ac-In-Zn | NM | 3 | 4 | -0.416209 | 0 | cubic |
mp-864809 | AcZn3 | 7.642317 | 22.989917 | 0 | 0 | Ac-Zn | Unknown | 2 | 8 | -0.270352 | 0 | hexagonal |
mp-124 | Ag | 10.362567 | 17.285231 | 0.000001 | 0 | Ag | Unknown | 1 | 1 | 0.002127 | 0 | cubic |
mp-8566 | Ag | 10.315418 | 17.364238 | 0.000012 | 0 | Ag | Unknown | 1 | 4 | 0 | 0 | hexagonal |
mp-10597 | Ag | 10.302467 | 17.386065 | 0.000001 | 0 | Ag | Unknown | 1 | 2 | 0.007669 | 0 | hexagonal |
mp-989737 | Ag | 9.922633 | 18.051595 | 0 | 0 | Ag | Unknown | 1 | 3 | 0.010382 | 0 | trigonal |
mp-2646971 | Ag | 9.866742 | 18.15385 | 0.000002 | 0 | Ag | NM | 1 | 1 | 0.034337 | 0 | cubic |
mp-18125 | Ag(AuF4)2 | 6.941567 | 14.217924 | 2 | 2 | Ag-Au-F | FM | 3 | 22 | -1.382182 | 0.2585 | monoclinic |
mp-35835 | Ag(AuS)2 | 8.073054 | 23.281179 | 0.000011 | 0 | Ag-Au-S | NM | 3 | 10 | -0.060645 | 0 | monoclinic |
mp-567334 | Ag(BCl)6 | 2.666186 | 18.466556 | 0 | 0 | Ag-B-Cl | NM | 3 | 104 | -0.952834 | 2.6955 | cubic |
mp-558796 | Ag(Bi2S3)3 | 6.530572 | 26.227095 | 0.050823 | 0 | Ag-Bi-S | NM | 3 | 16 | -0.359322 | 0 | monoclinic |
mp-777775 | Ag(H7O4)2 | 2.060844 | 8.757333 | 0.999999 | 0 | Ag-H-O | NM | 3 | 92 | -1.137663 | 0 | monoclinic |
mp-35109 | Ag(Mo3S4)2 | 5.600475 | 18.581204 | 0.031991 | 0 | Ag-Mo-S | NM | 3 | 15 | -0.710917 | 0 | trigonal |
mp-1103642 | Ag(Mo3Se4)2 | 6.916089 | 21.051603 | 0.002792 | 0 | Ag-Mo-Se | NM | 3 | 15 | -0.713454 | 0 | trigonal |
mp-1229205 | Ag(OsO3)2 | 7.250121 | 14.870154 | 0.000015 | 0 | Ag-O-Os | NM | 3 | 18 | -1.233077 | 0 | orthorhombic |
mp-1229158 | Ag(Te5Au2)2 | 8.865831 | 27.117217 | 0.000939 | 0 | Ag-Au-Te | NM | 3 | 15 | 0.000233 | 0 | monoclinic |
mp-29607 | Ag(TeMo)6 | 7.024271 | 26.351497 | 0 | 0 | Ag-Mo-Te | Unknown | 3 | 13 | -0.264842 | 0 | monoclinic |
mp-29717 | Ag(W3Br7)2 | 5.937909 | 31.022085 | 0.020878 | 0 | Ag-Br-W | NM | 3 | 84 | -0.825173 | 0 | cubic |
mp-568392 | Ag10Te4Br3 | 7.194734 | 24.828485 | 0 | 0 | Ag-Br-Te | NM | 3 | 68 | -0.267138 | 0.7276 | orthorhombic |
mp-770433 | Ag11Hg9 | 11.843214 | 20.974461 | 0.000248 | 0 | Ag-Hg | NM | 2 | 20 | 0.078608 | 0 | trigonal |
mp-686119 | Ag13(BiI4)14 | 5.292592 | 43.224099 | 0.553097 | 0 | Ag-Bi-I | NM | 3 | 83 | -0.626779 | 0 | triclinic |
mp-676840 | Ag13(PbO3)6 | 8.019274 | 16.417039 | 0.00044 | 0 | Ag-O-Pb | NM | 3 | 74 | -0.823027 | 0 | triclinic |
mp-1199256 | Ag13As3(IO3)4 | 6.326434 | 19.084176 | 0.000336 | 0 | Ag-As-I-O | NM | 4 | 64 | -0.785979 | 0.336816 | monoclinic |
mp-685283 | Ag13Bi15I64 | 4.96568 | 46.012708 | 0.616546 | 0 | Ag-Bi-I | NM | 3 | 92 | -0.54846 | 0 | triclinic |
mp-510349 | Ag13OsO6 | 9.307364 | 15.062491 | 0.002218 | 0 | Ag-O-Os | NM | 3 | 40 | -0.45156 | 0 | cubic |
mp-1229305 | Ag14H8I4(OF2)5 | 5.875801 | 15.824699 | 3.998982 | 4 | Ag-F-H-I-O | FM | 5 | 82 | -0.996333 | 0 | monoclinic |
mp-686149 | Ag15(BiI4)16 | 5.284262 | 43.278109 | 0.54511 | 0 | Ag-Bi-I | NM | 3 | 95 | -0.625671 | 0 | triclinic |
mp-560328 | Ag15P4S16Cl3 | 4.587131 | 22.494622 | 0.093769 | 0 | Ag-Cl-P-S | NM | 4 | 76 | -0.481953 | 1.2258 | cubic |
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