mp_ID stringlengths 4 10 | x float64 -10.28 17.7 | y float64 -12.01 23.9 | z float64 -8.99 7.96 | type stringclasses 2
values | formula stringlengths 2 26 | n_atoms int64 1 444 | spacegroup int64 1 230 | volume float64 5.61 20.1k |
|---|---|---|---|---|---|---|---|---|
mp-1094685 | -5.962149 | -8.106976 | 5.641331 | other | Mg16Al13 | 29 | 8 | 577.89 |
mp-1039481 | -6.896418 | -6.185976 | 5.548544 | other | Ce3Mg3 | 6 | 8 | 153.45 |
mp-684978 | -2.61069 | -2.865847 | -5.361835 | other | Sc29S42 | 71 | 8 | 1,499.74 |
mp-1226390 | -4.863637 | -4.304708 | 6.143171 | other | Dy12Si16 | 28 | 8 | 584.66 |
mp-1073481 | -3.208975 | -5.092 | 6.705172 | other | Mg4Si8 | 12 | 8 | 203.24 |
mp-1038993 | -6.273906 | -10.442163 | 5.810168 | other | Ca2Mg4 | 6 | 8 | 174.72 |
mp-1075515 | -2.095178 | -5.914428 | 7.470885 | other | Mg10Si12 | 22 | 8 | 401.74 |
mp-1074285 | -2.915718 | -7.480995 | 7.60903 | other | Mg8Si6 | 14 | 8 | 263.42 |
mp-1064952 | 4.857681 | 3.042321 | -3.353932 | other | Na1N3 | 4 | 8 | 60.74 |
mp-1039086 | -5.119538 | -7.352888 | 3.82362 | other | Ca5Mg1 | 6 | 8 | 237.57 |
mp-1393712 | -4.035559 | -1.221624 | -5.36436 | other | Ag4S2 | 6 | 8 | 129.1 |
mp-1235698 | 6.654379 | 5.756897 | -3.766248 | other | Li1O8 | 9 | 8 | 123.35 |
mp-20250 | -4.233635 | -1.19125 | -4.490922 | other | Pd8S8 | 16 | 84 | 277.96 |
mp-754983 | 12.247381 | 11.891482 | 0.506345 | other | Cr8O8 | 16 | 84 | 192.77 |
mp-796340 | 8.171212 | 14.326324 | -1.665578 | other | Mn6O12 | 18 | 84 | 248.42 |
mp-21165 | -4.727527 | -1.935792 | -3.076303 | other | Pd8Se8 | 16 | 84 | 320.76 |
mp-30594 | -9.239823 | -4.398269 | 3.392244 | other | Cu16Pd4 | 20 | 84 | 244.42 |
mp-561384 | 8.754501 | 1.542348 | 1.088389 | other | Zr8F32 | 40 | 84 | 483.12 |
mp-1205321 | -4.299104 | -1.636848 | -4.008158 | other | Pt8S8 | 16 | 84 | 275.52 |
mp-568380 | -4.468191 | -3.06643 | -4.141375 | other | Tl20Se12 | 32 | 85 | 936.79 |
mp-23228 | 2.43505 | 2.700601 | -4.453012 | other | P4Cl20 | 24 | 85 | 661.12 |
mp-684555 | -4.158521 | -3.60444 | -2.566111 | other | U10Se20 | 30 | 85 | 770.55 |
mp-572283 | 14.901083 | 5.905385 | -0.021071 | other | Si16O32 | 48 | 85 | 606.35 |
mp-1041273 | 6.153604 | 9.143155 | -1.68771 | other | Bi8O18 | 26 | 85 | 451.52 |
mp-870701 | -4.88776 | -0.869246 | -4.536024 | other | Fe8S10 | 18 | 85 | 640.27 |
mp-1370177 | 10.754725 | 12.509508 | -3.903172 | other | V8O18 | 26 | 85 | 362.19 |
mp-32711 | -0.144287 | 0.870054 | -3.769062 | other | Sr10Br20 | 30 | 85 | 979.31 |
mp-1103129 | 6.074504 | 3.978824 | -3.823113 | other | I2N10 | 12 | 85 | 134.47 |
mp-756640 | 9.772633 | 2.289973 | -0.191664 | other | V2F10 | 12 | 85 | 159.24 |
mp-23311 | -0.076506 | 0.972922 | -3.939889 | other | Eu10Br20 | 30 | 85 | 949.58 |
mp-567618 | -6.936299 | -3.505916 | 3.340506 | other | Si20Pt48 | 68 | 85 | 1,034.78 |
mp-1041443 | 7.793885 | 10.445678 | -3.621759 | other | Cr8O18 | 26 | 85 | 381.91 |
mp-570870 | -5.842759 | -3.613853 | 1.862705 | other | Hf10Sb18 | 28 | 85 | 674.56 |
mp-775910 | 10.822119 | 9.887214 | 3.906962 | other | Zr10O20 | 30 | 85 | 328.31 |
mp-1199934 | -5.640531 | -2.724744 | 3.266742 | other | Ti24As8 | 32 | 86 | 524.33 |
mp-505528 | -5.328309 | -2.363274 | 2.860596 | other | Nb24P8 | 32 | 86 | 531.95 |
mp-1203324 | -5.865319 | -3.710999 | 3.703431 | other | Zr24Ge8 | 32 | 86 | 675.26 |
mp-17861 | -7.337282 | -6.262274 | 5.777859 | other | Tm24Sb8 | 32 | 86 | 902.57 |
mp-504812 | -5.553491 | -3.109755 | 3.596753 | other | Hf24P8 | 32 | 86 | 600.81 |
mp-652044 | -4.11855 | -3.949168 | -3.253024 | other | Ce20Se38 | 58 | 86 | 1,470.98 |
mp-639805 | -5.487698 | -2.262033 | 3.505336 | other | Ta24Ge8 | 32 | 86 | 553.25 |
mp-1198302 | -5.670945 | -2.443013 | 3.457627 | other | Nb24Ge8 | 32 | 86 | 565.46 |
mp-645688 | -2.931218 | -2.585633 | -4.899802 | other | Ce20S38 | 58 | 86 | 1,275.22 |
mp-10534 | -2.782561 | -2.596575 | -5.495111 | other | Sm20S38 | 58 | 86 | 1,243.71 |
mp-560786 | -2.740992 | -2.668193 | -5.614094 | other | Nd20S38 | 58 | 86 | 1,302.59 |
mp-17848 | -5.543609 | -2.701306 | 3.615388 | other | Nb24Si8 | 32 | 86 | 549.95 |
mp-646008 | -2.761487 | -2.562029 | -5.576072 | other | Gd20S38 | 58 | 86 | 1,217.52 |
mp-18350 | -5.529366 | -1.139849 | 2.452269 | other | V24P8 | 32 | 86 | 408.27 |
mp-1200894 | -5.556992 | -3.084134 | 3.376945 | other | Zr24As8 | 32 | 86 | 664.61 |
mp-558229 | -2.658357 | -2.605891 | -5.470677 | other | La20S38 | 58 | 86 | 1,373.28 |
mp-1200337 | -6.584271 | -5.354114 | 5.401113 | other | Ce24Ge8 | 32 | 86 | 850.13 |
mp-22447 | -5.404243 | -2.92142 | 3.357364 | other | Zr24P8 | 32 | 86 | 631.16 |
mp-1198134 | -5.467352 | -2.188556 | 3.227314 | other | Ta24As8 | 32 | 86 | 549.27 |
mp-1196393 | -7.236037 | -6.366112 | 5.753577 | other | Y24Sb8 | 32 | 86 | 964.21 |
mp-8866 | -4.170554 | -4.017944 | -3.639645 | other | La20Se38 | 58 | 86 | 1,550.77 |
mp-14650 | -4.17699 | -4.171416 | -3.759466 | other | Nd20Se38 | 58 | 86 | 1,478.81 |
mp-1202616 | -5.958552 | -3.666161 | 3.841486 | other | Hf24Ge8 | 32 | 86 | 644.36 |
mp-1189365 | 11.527784 | 8.009562 | -3.058469 | other | As8O12 | 20 | 86 | 375.78 |
mp-980420 | -5.427381 | -2.876158 | 4.074346 | other | Ti24Si8 | 32 | 86 | 519.98 |
mp-29832 | -4.199381 | -4.14482 | -3.654528 | other | Sm20Se38 | 58 | 86 | 1,429.03 |
mp-504502 | -5.365 | -2.073004 | 3.172031 | other | Ta24P8 | 32 | 86 | 520.04 |
mp-568646 | -5.323583 | -2.529929 | 3.42317 | other | Ta24Si8 | 32 | 86 | 537.88 |
mp-1204382 | -2.685066 | -2.709281 | -5.661474 | other | Tm20S38 | 58 | 86 | 1,131.59 |
mp-1197830 | 3.494657 | 2.473465 | -3.330237 | other | C16I16 | 32 | 86 | 1,428.01 |
mp-776321 | 0.623262 | 2.781162 | 1.819223 | other | W8N16 | 24 | 86 | 288.72 |
mp-1200912 | -5.41205 | -3.635375 | 4.116355 | other | Zr24Si8 | 32 | 86 | 661.72 |
mp-31214 | -5.280968 | -2.437805 | 3.259097 | other | Ti24P8 | 32 | 86 | 491.43 |
mp-645273 | -5.557062 | -3.752599 | -1.232131 | other | Ce20Te38 | 58 | 86 | 1,845.83 |
mp-504425 | -5.597959 | -2.491834 | 3.018281 | other | Nb24As8 | 32 | 86 | 561.68 |
mp-561375 | -2.659985 | -2.66113 | -5.598665 | other | Pr20S38 | 58 | 86 | 1,332.55 |
mp-14613 | -4.080852 | -4.219961 | -3.770304 | other | Pr20Se38 | 58 | 86 | 1,509.33 |
mp-1078930 | 4.09508 | 3.037829 | -3.354109 | other | Mg1N8 | 9 | 87 | 172.49 |
mp-1068773 | -8.855448 | -6.137779 | 2.537204 | other | Lu1Au4 | 5 | 87 | 92.37 |
mp-1743 | -5.896305 | -1.323813 | 2.328443 | other | Mo5As4 | 9 | 87 | 152.64 |
mp-11765 | -4.611018 | -1.69057 | -2.613838 | other | Ti5Se4 | 9 | 87 | 164.38 |
mp-1105101 | -5.062388 | -7.093644 | 3.353939 | other | Ba9In4 | 13 | 87 | 603.66 |
mp-8046 | 0.817665 | 1.517213 | 2.782003 | other | Ta4N5 | 9 | 87 | 100.96 |
mp-1210708 | -5.751344 | -0.667497 | 2.817583 | other | Mo21S8 | 29 | 87 | 431.01 |
mp-1133 | -4.485887 | -0.13855 | -3.342735 | other | V10S8 | 18 | 87 | 253.37 |
mp-30811 | -7.629083 | -0.981729 | 2.940615 | other | Ni4W1 | 5 | 87 | 56.84 |
mp-9948 | -6.091409 | -1.885144 | -1.446513 | other | V5Te4 | 9 | 87 | 186.9 |
mp-31381 | -5.098489 | -2.154691 | 2.383734 | other | Nb21S8 | 29 | 87 | 484.41 |
mp-1207436 | -8.07498 | -4.820355 | 3.190904 | original | Zr9Pd11 | 20 | 87 | 368.42 |
mp-1070789 | -8.712923 | -5.658316 | 2.167428 | other | Cr1Au4 | 5 | 87 | 85.75 |
mp-1188785 | -7.585443 | -2.745892 | 3.683948 | other | Hf9Ni11 | 20 | 87 | 312.88 |
mp-568221 | -5.31454 | -2.757087 | 2.636039 | other | Ta5Sb4 | 9 | 87 | 184.57 |
mp-1068348 | -8.921305 | -6.178265 | 2.580768 | other | Tm1Au4 | 5 | 87 | 93.45 |
mp-1199923 | -7.622244 | -9.961439 | 6.492934 | other | Nd5Mg41 | 46 | 87 | 1,128.56 |
mp-1201293 | -7.625313 | -9.997976 | 6.482676 | other | Sm5Mg41 | 46 | 87 | 1,113.69 |
mp-2598 | -5.332604 | -2.686249 | 2.55612 | other | Ta5Sb4 | 9 | 87 | 189.97 |
mp-7927 | 0.813867 | 1.549243 | 2.761348 | other | Nb4N5 | 9 | 87 | 103.68 |
mp-1197847 | -7.629158 | -10.01249 | 6.506104 | other | Pr5Mg41 | 46 | 87 | 1,137.41 |
mp-274 | -5.630505 | -2.882309 | 2.156453 | other | Nb5Sb4 | 9 | 87 | 194.34 |
mp-569319 | -6.037453 | -1.378425 | 2.360798 | other | Mo5As4 | 9 | 87 | 142.97 |
mp-19395 | 8.188153 | 14.341637 | -1.660333 | other | Mn4O8 | 12 | 87 | 134.77 |
mp-1220234 | 8.494184 | 11.821039 | -0.839656 | other | Ni5O4 | 9 | 87 | 89.31 |
mp-1852 | 8.857786 | 2.061209 | 1.342353 | other | U1F5 | 6 | 87 | 92.19 |
mp-12884 | -5.231701 | -3.432377 | 2.746194 | other | Hf5Te4 | 9 | 87 | 217.04 |
mp-30536 | -6.262782 | -2.508391 | 1.716225 | other | V5Sb4 | 9 | 87 | 168.57 |
mp-1402765 | 6.524183 | 9.051328 | -1.143684 | other | Bi4O8 | 12 | 87 | 244.83 |
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