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-32758 | Ag2Se | 7.874682 | 20.714271 | 0 | 0 | Ag-Se | Unknown | 2 | 6 | -0.177803 | 0 | orthorhombic |
mp-568936 | Ag2Se | 8.112695 | 20.106548 | 0 | 0 | Ag-Se | Unknown | 2 | 12 | -0.217601 | 0 | orthorhombic |
mp-568971 | Ag2Se | 7.087894 | 23.013649 | 0.00047 | 0 | Ag-Se | NM | 2 | 12 | -0.210836 | 0.9678 | orthorhombic |
mp-754954 | Ag2Se | 7.2594 | 22.469943 | 0.000017 | 0 | Ag-Se | NM | 2 | 12 | -0.212574 | 0.1384 | orthorhombic |
mp-1183005 | Ag2Se | 5.385771 | 30.286895 | 0.00094 | 0 | Ag-Se | NM | 2 | 12 | -0.165337 | 1.7115 | orthorhombic |
mp-1229100 | Ag2Se | 7.248677 | 22.503183 | 0.000314 | 0 | Ag-Se | NM | 2 | 3 | -0.192257 | 0.0908 | cubic |
mp-2022604 | Ag2Se | 7.988223 | 20.419847 | 0 | 0 | Ag-Se | Unknown | 2 | 12 | -0.207798 | 0.1455 | orthorhombic |
mp-2047939 | Ag2Se | 7.944581 | 20.532019 | 0 | 0 | Ag-Se | Unknown | 2 | 12 | -0.219915 | 0.1096 | orthorhombic |
mp-16913 | Ag2SeO3 | 6.00462 | 15.794997 | 0.00065 | 0 | Ag-O-Se | NM | 3 | 24 | -0.825087 | 1.7022 | monoclinic |
mp-2748718 | Ag2SeO3 | 6.551405 | 14.476736 | 0 | 0 | Ag-O-Se | NM | 3 | 24 | -0.570583 | 2.0935 | monoclinic |
mp-11641 | Ag2SeO4 | 5.766886 | 14.754815 | 0 | 0 | Ag-O-Se | Unknown | 3 | 14 | -0.840112 | 0.4264 | orthorhombic |
mp-663172 | Ag2SeO4 | 5.415094 | 15.713363 | 0.00013 | 0 | Ag-O-Se | NM | 3 | 14 | -0.824545 | 0.4815 | triclinic |
mp-1197599 | Ag2Sn(S2O7)3 | 3.239772 | 14.741293 | 0.000084 | 0 | Ag-O-S-Sn | NM | 4 | 180 | -1.616674 | 2.4602 | trigonal |
mp-1229127 | Ag2SnBiS4 | 6.344302 | 21.975669 | 0.001242 | 0 | Ag-Bi-S-Sn | NM | 4 | 8 | -0.283377 | 0 | tetragonal |
mp-1229140 | Ag2SnBiSe4 | 7.1167 | 25.061581 | 0.003337 | 0 | Ag-Bi-Se-Sn | NM | 4 | 8 | -0.452472 | 0 | trigonal |
mp-1214926 | Ag2SnHgS4 | 5.3616 | 25.678657 | 0.000269 | 0 | Ag-Hg-S-Sn | NM | 4 | 16 | -0.469529 | 0.0157 | orthorhombic |
mp-10963 | Ag2SnHgSe4 | 6.031333 | 29.282777 | 0.000313 | 0 | Ag-Hg-Se-Sn | NM | 4 | 16 | -0.474887 | 0 | orthorhombic |
mp-680202 | Ag2SnO3 | 6.880752 | 15.382625 | 0.001564 | 0 | Ag-O-Sn | NM | 3 | 144 | -1.199213 | 0.1452 | orthorhombic |
mp-759209 | Ag2SnO3 | 7.189156 | 14.722733 | 0 | 0 | Ag-O-Sn | NM | 3 | 24 | -1.199544 | 0 | hexagonal |
mp-1096812 | Ag2SnSe3 | 5.688197 | 27.797615 | 0 | 0 | Ag-Se-Sn | NM | 3 | 48 | -0.473 | 0.0545 | monoclinic |
mp-1592 | Ag2Te | 8.246593 | 23.04481 | 0 | 0 | Ag-Te | Unknown | 2 | 12 | -0.09519 | 0 | monoclinic |
mp-32811 | Ag2Te | 7.95532 | 23.888565 | 0 | 0 | Ag-Te | Unknown | 2 | 6 | -0.053214 | 0 | orthorhombic |
mp-684798 | Ag2Te | 7.233017 | 26.274121 | 0.001342 | 0 | Ag-Te | NM | 2 | 12 | -0.059126 | 0 | monoclinic |
mp-685048 | Ag2Te | 7.442603 | 25.534234 | 0.009349 | 0 | Ag-Te | NM | 2 | 21 | -0.03226 | 0 | triclinic |
mp-1229101 | Ag2Te | 7.625643 | 24.921331 | 0 | 0 | Ag-Te | Unknown | 2 | 3 | -0.051722 | 0 | tetragonal |
mp-1193238 | Ag2Te(H2O3)2 | 5.266987 | 10.752377 | 0.002045 | 0 | Ag-H-O-Te | NM | 4 | 26 | -1.096259 | 0.7501 | orthorhombic |
mp-13211 | Ag2Te2O7 | 6.878981 | 12.792351 | 0.000031 | 0 | Ag-O-Te | NM | 3 | 22 | -1.100079 | 0 | orthorhombic |
mp-1190916 | Ag2Te3Mo3O16 | 5.233551 | 15.10217 | 0.000757 | 0 | Ag-Mo-O-Te | NM | 4 | 24 | -1.564541 | 2.0203 | monoclinic |
mp-1197464 | Ag2Te4MoO12 | 5.681481 | 15.599173 | 0.004507 | 0 | Ag-Mo-O-Te | NM | 4 | 38 | -1.409304 | 2.128126 | monoclinic |
mp-561380 | Ag2Te4O11 | 6.707921 | 13.136548 | 0 | 0 | Ag-O-Te | NM | 3 | 34 | -1.243297 | 1.1527 | triclinic |
mp-18068 | Ag2TeO3 | 6.658987 | 16.264395 | 0.001092 | 0 | Ag-O-Te | NM | 3 | 24 | -0.906199 | 1.6273 | monoclinic |
mp-558768 | Ag2TeO4 | 7.102537 | 13.604676 | 0 | 0 | Ag-O-Te | NM | 3 | 42 | -0.964478 | 0.0001 | monoclinic |
mp-755598 | Ag2TeO4 | 5.955075 | 16.226111 | 0.000086 | 0 | Ag-O-Te | NM | 3 | 14 | -0.876571 | 0.0204 | triclinic |
mp-893071 | Ag2TeO4 | 5.955076 | 16.226111 | 0.000014 | 0 | Ag-O-Te | NM | 3 | 14 | -0.876231 | 0 | monoclinic |
mp-1178564 | Ag2TeO4 | 5.890958 | 16.402716 | 0.000005 | 0 | Ag-O-Te | NM | 3 | 14 | -0.877306 | 0.0221 | orthorhombic |
mp-29163 | Ag2TeS3 | 5.146247 | 23.637257 | 0 | 0 | Ag-S-Te | Unknown | 3 | 12 | -0.07895 | 1.3065 | monoclinic |
mp-32537 | Ag2W2O7 | 7.061486 | 14.86629 | 0.000076 | 0 | Ag-O-W | NM | 3 | 22 | -1.646673 | 1.9614 | triclinic |
mp-504466 | Ag2WO4 | 7.439841 | 14.78109 | 0.00168 | 0 | Ag-O-W | NM | 3 | 56 | -1.34847 | 2.0439 | orthorhombic |
mp-637188 | Ag2WO4 | 7.533938 | 14.596479 | 0.032879 | 0 | Ag-O-W | NM | 3 | 56 | -1.345724 | 1.7809 | orthorhombic |
mp-990091 | Ag2WS4 | 5.014356 | 24.970961 | 0.000571 | 0 | Ag-S-W | NM | 3 | 28 | -0.336507 | 0.8693 | orthorhombic |
mp-35320 | Ag3(AsO4)2 | 4.694874 | 16.363504 | 0.571524 | 0 | Ag-As-O | NM | 3 | 13 | -1.021716 | 0 | trigonal |
mp-36383 | Ag3(PO4)2 | 4.522791 | 14.503729 | 0.001188 | 0 | Ag-O-P | NM | 3 | 13 | -1.605811 | 0 | trigonal |
mp-674968 | Ag33(PbO3)14 | 8.235351 | 16.158991 | 0.422051 | 0 | Ag-O-Pb | NM | 3 | 89 | -0.810954 | 0 | triclinic |
mp-1183193 | Ag3As | 9.022951 | 18.335696 | 0.001086 | 0 | Ag-As | NM | 2 | 8 | 0.088397 | 0 | hexagonal |
mp-1183202 | Ag3As | 8.970108 | 18.443711 | 0.000024 | 0 | Ag-As | NM | 2 | 4 | 0.094392 | 0 | tetragonal |
mp-1229185 | Ag3AsF12 | 4.658311 | 13.95811 | 0.010177 | 2 | Ag-As-F | FiM | 3 | 16 | -1.800717 | 0.1546 | triclinic |
mp-5408 | Ag3AsO4 | 6.623867 | 14.493779 | 0 | 0 | Ag-As-O | Unknown | 3 | 16 | -0.962177 | 0 | cubic |
mp-1229124 | Ag3AsO4 | 6.630288 | 14.479741 | 0 | 0 | Ag-As-O | Unknown | 3 | 16 | -0.964007 | 0.3104 | trigonal |
mp-4431 | Ag3AsS3 | 5.416914 | 21.665047 | 0 | 0 | Ag-As-S | Unknown | 3 | 14 | -0.156707 | 1.1771 | trigonal |
mp-555843 | Ag3AsS3 | 4.820572 | 24.345181 | 0.000494 | 0 | Ag-As-S | NM | 3 | 14 | -0.139178 | 1.6014 | trigonal |
mp-561620 | Ag3AsS3 | 5.39389 | 21.757523 | 0 | 0 | Ag-As-S | NM | 3 | 28 | -0.160047 | 1.6278 | monoclinic |
mp-9538 | Ag3AsS4 | 4.841724 | 22.583615 | 0 | 0 | Ag-As-S | Unknown | 3 | 16 | -0.141018 | 0.3576 | orthorhombic |
mp-5145 | Ag3AsSe3 | 6.36559 | 23.679025 | 0 | 0 | Ag-As-Se | Unknown | 3 | 14 | -0.290744 | 0.8521 | trigonal |
mp-662599 | Ag3AsSe3 | 6.331068 | 23.808144 | 0.035807 | 0 | Ag-As-Se | NM | 3 | 84 | -0.302367 | 0.8906 | orthorhombic |
mp-1183137 | Ag3Au | 12.441056 | 17.370486 | 0.000001 | 0 | Ag-Au | Unknown | 2 | 4 | -0.061714 | 0 | cubic |
mp-1183205 | Ag3Au | 12.398116 | 17.430647 | 0 | 0 | Ag-Au | Unknown | 2 | 8 | -0.050143 | 0 | hexagonal |
mp-1183214 | Ag3Au | 12.434135 | 17.380154 | 0 | 0 | Ag-Au | Unknown | 2 | 4 | -0.061304 | 0 | tetragonal |
mp-27554 | Ag3AuS2 | 8.067573 | 20.05806 | 0.000217 | 0 | Ag-Au-S | NM | 3 | 48 | -0.094858 | 0.1803 | cubic |
mp-34460 | Ag3AuS2 | 6.378087 | 25.371222 | 0 | 0 | Ag-Au-S | Unknown | 3 | 6 | -0.094997 | 1.5634 | trigonal |
mp-34982 | Ag3AuS2 | 7.316179 | 22.118083 | 0.00008 | 0 | Ag-Au-S | NM | 3 | 6 | -0.079018 | 0.3932 | triclinic |
mp-3172 | Ag3AuSe2 | 8.918091 | 21.055722 | 0 | 0 | Ag-Au-Se | NM | 3 | 24 | -0.238808 | 0.0235 | cubic |
mp-1229183 | Ag3AuSeS | 8.381175 | 20.856067 | 0.002736 | 0 | Ag-Au-S-Se | NM | 4 | 24 | -0.138439 | 0.0949 | cubic |
mp-1194638 | Ag3B5O9 | 4.770354 | 10.681501 | 0.002254 | 0 | Ag-B-O | NM | 3 | 68 | -2.164361 | 1.8021 | orthorhombic |
mp-27816 | Ag3BO3 | 6.402023 | 14.16992 | 0.000636 | 0 | Ag-B-O | NM | 3 | 7 | -1.149021 | 0 | trigonal |
mp-561550 | Ag3BO3 | 6.648232 | 13.645155 | 0 | 0 | Ag-B-O | NM | 3 | 28 | -1.201275 | 0.882 | trigonal |
mp-1229165 | Ag3Bi7S12 | 6.569616 | 24.945702 | 0.000203 | 0 | Ag-Bi-S | NM | 3 | 22 | -0.351237 | 0.6775 | monoclinic |
mp-1214935 | Ag3Bi8S13 | 6.671944 | 25.015863 | 0.000056 | 0 | Ag-Bi-S | NM | 3 | 24 | -0.333297 | 0 | monoclinic |
mp-505145 | Ag3BiO3 | 8.276326 | 16.640944 | 0.00072 | 0 | Ag-Bi-O | NM | 3 | 56 | -0.78345 | 1.525 | tetragonal |
mp-562412 | Ag3F8 | 5.367514 | 13.375734 | 2 | 0 | Ag-F | Unknown | 2 | 22 | -1.35257 | 0.2829 | monoclinic |
mp-985282 | Ag3Ge | 9.121116 | 18.034515 | 0.001113 | 0 | Ag-Ge | NM | 2 | 4 | 0.099731 | 0 | cubic |
mp-1229108 | Ag3Ge | 8.963698 | 18.351233 | 0.004399 | 0 | Ag-Ge | NM | 2 | 4 | 0.083776 | 0 | hexagonal |
mp-17862 | Ag3Ge5P6 | 5.220634 | 19.826063 | 0 | 0 | Ag-Ge-P | NM | 3 | 28 | -0.041898 | 0.5336 | cubic |
mp-985443 | Ag3Hg | 11.815233 | 18.417868 | 0 | 0 | Ag-Hg | Unknown | 2 | 4 | 0.031825 | 0 | cubic |
mp-1183250 | Ag3Hg | 11.854475 | 18.3569 | 0 | 0 | Ag-Hg | Unknown | 2 | 8 | 0.021212 | 0 | hexagonal |
mp-776370 | Ag3IrO4 | 8.456005 | 14.232673 | 3.631366 | 4 | Ag-Ir-O | FM | 3 | 32 | -0.630619 | 0 | tetragonal |
mp-1214986 | Ag3Mo3AsO13 | 5.235736 | 14.182188 | 0.001729 | 0 | Ag-As-Mo-O | NM | 4 | 40 | -1.533127 | 1.7696 | triclinic |
mp-27819 | Ag3O | 9.226617 | 15.279862 | 0 | 0 | Ag-O | Unknown | 2 | 8 | -0.216564 | 0 | trigonal |
mp-1605 | Ag3O4 | 7.049423 | 13.043188 | 0.019195 | 0 | Ag-O | Unknown | 2 | 14 | -0.401446 | 0 | monoclinic |
mp-27821 | Ag3P11 | 3.854412 | 20.442673 | 0 | 0 | Ag-P | Unknown | 2 | 14 | -0.046167 | 0.8306 | monoclinic |
mp-1199654 | Ag3P3O10 | 4.096521 | 14.605896 | 4.000358 | 6 | Ag-O-P | FM | 3 | 32 | -1.778205 | 0 | monoclinic |
mp-4198 | Ag3PO4 | 6.390462 | 13.595686 | 0 | 0 | Ag-O-P | Unknown | 3 | 16 | -1.406864 | 0.1785 | cubic |
mp-1229128 | Ag3PO4 | 6.376837 | 13.624736 | 0 | 0 | Ag-O-P | Unknown | 3 | 16 | -1.409352 | 0.421027 | trigonal |
mp-12459 | Ag3PS4 | 4.664243 | 21.487192 | 0 | 0 | Ag-P-S | Unknown | 3 | 16 | -0.256125 | 0.9998 | orthorhombic |
mp-30908 | Ag3PSe4 | 5.609768 | 24.806193 | 0 | 0 | Ag-P-Se | Unknown | 3 | 16 | -0.336743 | 0.1744 | orthorhombic |
mp-985296 | Ag3Pd | 10.728138 | 16.640182 | 0 | 0 | Ag-Pd | Unknown | 2 | 4 | -0.066776 | 0 | tetragonal |
mp-1183206 | Ag3Pd | 10.708736 | 16.67033 | 0 | 0 | Ag-Pd | Unknown | 2 | 8 | -0.06175 | 0 | hexagonal |
mp-1215074 | Ag3Pd13Pb6 | 11.901628 | 18.710312 | 0.000662 | 0 | Ag-Pb-Pd | NM | 3 | 66 | -0.202428 | 0 | trigonal |
mp-12065 | Ag3Pt | 12.906863 | 16.683036 | 0 | 0 | Ag-Pt | Unknown | 2 | 4 | -0.020391 | 0 | cubic |
mp-510453 | Ag3RuO4 | 7.231419 | 14.026626 | 11.672043 | 4 | Ag-O-Ru | FM | 3 | 32 | -0.709769 | 0 | tetragonal |
mp-1195464 | Ag3RuO4 | 7.340084 | 13.818972 | 19.891784 | 8 | Ag-O-Ru | FM | 3 | 64 | -0.696602 | 0 | monoclinic |
mp-1201018 | Ag3S4(O3F)4 | 3.309623 | 15.703099 | 0.133901 | 0 | Ag-F-O-S | NM | 4 | 92 | -1.638239 | 0 | monoclinic |
mp-36600 | Ag3SBr | 6.186513 | 23.382701 | 0.000597 | 0 | Ag-Br-S | NM | 3 | 10 | -0.335732 | 0.3977 | orthorhombic |
mp-1105645 | Ag3SBr | 5.967646 | 24.240276 | 0.003313 | 0 | Ag-Br-S | NM | 3 | 20 | -0.305716 | 0.2964 | orthorhombic |
mp-1229116 | Ag3SBr | 6.12483 | 23.618188 | 0.000049 | 0 | Ag-Br-S | NM | 3 | 5 | -0.34033 | 0.3987 | monoclinic |
mp-22995 | Ag3SI | 6.57609 | 24.37111 | 0.000041 | 0 | Ag-I-S | NM | 3 | 5 | -0.260466 | 0.539 | trigonal |
mp-632480 | Ag3SI | 6.496743 | 24.668765 | 0.000095 | 0 | Ag-I-S | NM | 3 | 5 | -0.253602 | 0.1676 | triclinic |
mp-673825 | Ag3SI | 6.567474 | 24.403084 | 0.000948 | 0 | Ag-I-S | NM | 3 | 10 | -0.242519 | 0.257 | triclinic |
mp-674981 | Ag3SI | 6.475076 | 24.751309 | 0.000252 | 0 | Ag-I-S | NM | 3 | 5 | -0.250059 | 0.2624 | monoclinic |
mp-675879 | Ag3SI | 6.480033 | 24.732376 | 0.000768 | 0 | Ag-I-S | NM | 3 | 10 | -0.251774 | 0.2851 | monoclinic |
mp-676121 | Ag3SI | 5.912215 | 27.10771 | 0.000563 | 0 | Ag-I-S | NM | 3 | 10 | -0.25335 | 0.3739 | triclinic |
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