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-560131 | 15.478297 | 5.659661 | 0.254927 | other | Si8O16 | 24 | 121 | 431.19 |
mp-757852 | 9.399373 | 8.677943 | -0.555303 | other | Bi16O25 | 41 | 121 | 696.41 |
mp-1203554 | -4.01507 | -5.00725 | 5.647959 | other | Al8Si38 | 46 | 1 | 1,124.73 |
mp-1074189 | -2.488365 | -5.47281 | 7.104394 | other | Mg8Si14 | 22 | 1 | 418.25 |
mp-680944 | 10.999288 | 11.912469 | 2.737325 | other | Nb16O40 | 56 | 1 | 828.9 |
mp-849080 | -3.063314 | -0.626395 | -4.637095 | other | V1S2 | 3 | 1 | 121.27 |
mp-1074145 | -2.48739 | -5.462261 | 7.110538 | other | Mg8Si14 | 22 | 1 | 408.99 |
mp-1075184 | -2.157076 | -5.801055 | 7.430673 | other | Mg6Si8 | 14 | 1 | 255.13 |
mp-1073816 | -2.270275 | -6.659554 | 7.636833 | other | Mg6Si6 | 12 | 1 | 231.08 |
mp-723973 | -0.832045 | -1.367095 | -1.480752 | other | Sc4Se6 | 10 | 1 | 244.73 |
mp-1244968 | 15.193644 | 5.760416 | 0.094768 | other | Si34O68 | 102 | 1 | 1,686.76 |
mp-1073927 | -2.651888 | -7.167014 | 7.550182 | other | Mg12Si10 | 22 | 1 | 432.64 |
mp-1073916 | -2.612703 | -7.161966 | 7.633682 | other | Mg12Si10 | 22 | 1 | 425.05 |
mp-1244998 | 2.760749 | 2.666111 | 1.013736 | other | Ga50N50 | 100 | 1 | 1,565.09 |
mp-1103007 | 6.72376 | 6.094505 | -3.984218 | other | U1O11 | 12 | 1 | 282.36 |
mp-1075100 | -2.051788 | -5.949972 | 7.395257 | other | Mg6Si8 | 14 | 1 | 275.01 |
mp-633538 | -3.232885 | 1.65671 | 2.790544 | other | B18C2 | 20 | 1 | 149.87 |
mp-685090 | 11.910612 | 8.160089 | -0.289881 | other | Ga16O24 | 40 | 1 | 453.65 |
mp-1075592 | -2.477465 | -5.508097 | 7.067169 | other | Mg10Si18 | 28 | 1 | 538.92 |
mp-1244878 | 12.732564 | 7.403744 | 0.712905 | other | Al40O60 | 100 | 1 | 1,114.95 |
mp-556994 | 15.360928 | 5.727365 | 0.22888 | other | Si4O8 | 12 | 1 | 172.02 |
mp-1245224 | 9.529656 | 11.726148 | 0.06146 | other | Li68O34 | 102 | 1 | 982.08 |
mp-1245049 | 10.112732 | 12.146474 | -4.232363 | other | V30O75 | 105 | 1 | 1,884.3 |
mp-1074429 | -2.832812 | -7.421877 | 7.566442 | other | Mg16Si12 | 28 | 1 | 539.15 |
mp-1074681 | -3.722137 | -8.38346 | 7.207842 | other | Mg8Si4 | 12 | 1 | 228.02 |
mp-1074517 | -2.930431 | -7.458257 | 7.566579 | other | Mg8Si6 | 14 | 1 | 267.64 |
mp-1398433 | 7.555421 | 5.018689 | -1.820152 | other | Si4O8 | 12 | 1 | 196.25 |
mp-1244877 | -5.52056 | -5.634806 | 0.476582 | other | Ga50Sb50 | 100 | 1 | 2,840.67 |
mp-1182503 | 5.245808 | 10.850744 | -2.477482 | other | Fe16O34 | 50 | 1 | 622.35 |
mp-1073041 | -2.278512 | -5.709287 | 7.330027 | other | Mg8Si12 | 20 | 1 | 376.73 |
mp-1245043 | 12.696118 | 7.436265 | 0.72738 | other | Al40O60 | 100 | 1 | 1,126.67 |
mp-1214795 | -0.906549 | 2.166001 | -3.181424 | other | Bi4I20 | 24 | 1 | 1,885.69 |
mp-685107 | -5.501967 | -2.990787 | -4.514122 | other | Cu9Se5 | 14 | 1 | 245.94 |
mp-1247896 | 12.746111 | 7.365783 | 0.734261 | other | Al16O24 | 40 | 1 | 439.4 |
mp-1074207 | -2.49299 | -5.455341 | 7.164192 | other | Mg8Si14 | 22 | 1 | 402.03 |
mp-1179615 | 12.190533 | 10.873911 | -1.916956 | other | W17O47 | 64 | 1 | 1,029.71 |
mp-1245248 | -4.660067 | -1.796856 | -6.708288 | other | Zn50S50 | 100 | 1 | 2,398.3 |
mp-685184 | 12.814534 | 6.440266 | -0.964059 | other | Si30O60 | 90 | 1 | 1,318.08 |
mp-1245148 | 2.624231 | 2.535746 | 1.29008 | other | Ga50N50 | 100 | 1 | 1,471.26 |
mp-1074843 | -3.284335 | -7.921617 | 7.497407 | other | Mg14Si8 | 22 | 1 | 437.53 |
mp-1074276 | -2.917369 | -7.487478 | 7.455198 | other | Mg8Si6 | 14 | 1 | 270.87 |
mp-673654 | -2.846862 | -0.926575 | -4.896785 | other | As24S27 | 51 | 1 | 1,847.97 |
mp-1225980 | -8.491939 | -5.138741 | 2.921495 | other | Cu19Sn16 | 35 | 1 | 646.48 |
mp-1244895 | -5.537132 | -5.61082 | 0.478947 | other | Ga50Sb50 | 100 | 1 | 2,722.17 |
mp-1245283 | 10.073376 | 12.107664 | -4.246581 | other | V30O75 | 105 | 1 | 1,908.37 |
mp-1075635 | -2.763931 | -5.318967 | 6.996509 | other | Mg10Si18 | 28 | 1 | 493.53 |
mp-1075464 | -2.184275 | -5.97357 | 7.470914 | other | Mg10Si12 | 22 | 1 | 420.32 |
mp-1073146 | -2.489475 | -5.554189 | 7.197384 | other | Mg8Si12 | 20 | 1 | 368.34 |
mp-1073015 | -2.153295 | -5.775331 | 7.375398 | other | Mg8Si12 | 20 | 1 | 375.66 |
mp-1074023 | -3.404291 | -8.042926 | 7.423415 | other | Mg18Si10 | 28 | 1 | 549.22 |
mp-1073919 | -2.587851 | -7.060541 | 7.564026 | other | Mg12Si10 | 22 | 1 | 437.13 |
mp-1378759 | -2.758069 | -5.501091 | 6.721624 | other | Mg10Si18 | 28 | 1 | 510.39 |
mp-1245135 | 12.831888 | 11.339555 | 1.995917 | other | Ti39O65 | 104 | 1 | 1,229.73 |
mp-1074408 | -2.898024 | -7.385301 | 7.369539 | other | Mg8Si6 | 14 | 1 | 286.03 |
mp-1245292 | 12.819474 | 11.319698 | 1.998972 | other | Ti39O65 | 104 | 1 | 1,284.18 |
mp-1096920 | 10.488522 | 12.995354 | -1.49445 | other | Cr3O5 | 8 | 1 | 109.43 |
mp-1244981 | 12.8531 | 7.303668 | 0.688098 | other | Al40O60 | 100 | 1 | 1,114.67 |
mp-684654 | 9.539058 | 8.75121 | -0.44015 | other | Bi2O3 | 5 | 1 | 92.72 |
mp-555948 | 6.934364 | 2.515274 | -2.872607 | other | C74F42 | 116 | 1 | 1,399.13 |
mp-1080267 | -4.262068 | -4.972763 | -3.411648 | other | Ce4Se8 | 12 | 1 | 777.81 |
mp-1075693 | -2.785703 | -5.285071 | 6.987321 | other | Mg10Si18 | 28 | 1 | 486.8 |
mp-1245134 | 10.652814 | 12.274745 | 2.167394 | other | Ti30O60 | 90 | 1 | 1,134.3 |
mp-1073316 | -2.542646 | -5.423062 | 7.069155 | other | Mg4Si8 | 12 | 1 | 226.06 |
mp-776606 | 8.325359 | 13.361887 | -1.203504 | other | Fe16O24 | 40 | 1 | 412.52 |
mp-1096889 | 0.680127 | 3.022409 | 1.572169 | other | Cr4N8 | 12 | 1 | 166.64 |
mp-1075466 | -2.083065 | -6.028896 | 7.540591 | other | Mg10Si12 | 22 | 1 | 407.67 |
mp-1245045 | 17.036188 | 9.415261 | 7.756579 | other | Mg40O40 | 80 | 1 | 961.62 |
mp-1244906 | 11.123006 | 11.128123 | -2.805982 | other | W25O75 | 100 | 1 | 1,656.31 |
mp-1100469 | -2.512088 | -5.434913 | 7.090685 | other | Mg4Si8 | 12 | 1 | 221.97 |
mp-1245097 | 10.095357 | 12.189763 | -4.25788 | other | V30O75 | 105 | 1 | 1,913.22 |
mp-1245240 | 10.204261 | 12.209181 | -4.20347 | other | V30O75 | 105 | 1 | 2,022.58 |
mp-1245238 | -4.659043 | -1.807343 | -6.714189 | other | Zn50S50 | 100 | 1 | 2,419.85 |
mp-1016063 | 0.687979 | 3.117616 | 1.508444 | other | Cr4N8 | 12 | 1 | 201.52 |
mp-1120811 | 6.835739 | 8.528872 | -1.570548 | other | Ca16O24 | 40 | 1 | 648.5 |
mp-1073037 | -2.370665 | -5.55818 | 7.297575 | other | Mg8Si12 | 20 | 1 | 355.81 |
mp-1236127 | 6.608814 | 5.77732 | -3.717746 | other | Li1O8 | 9 | 1 | 117.77 |
mp-1074350 | -2.85068 | -7.42953 | 7.604308 | other | Mg8Si6 | 14 | 1 | 269.23 |
mp-1245192 | 9.068685 | 8.93126 | 1.668692 | other | Ba50O50 | 100 | 1 | 2,615.18 |
mp-766354 | 9.535511 | 8.600367 | -0.591122 | other | Bi25O38 | 63 | 1 | 1,083.87 |
mp-684713 | 12.699249 | 7.432457 | 0.634403 | other | Al16O24 | 40 | 1 | 412.26 |
mp-1244896 | 4.487741 | 3.436021 | -3.546961 | other | Ga50N50 | 100 | 1 | 2,300.82 |
mp-673637 | -3.926069 | -0.370898 | -3.887748 | other | Ti27S30 | 57 | 1 | 899.04 |
mp-1073958 | -2.613841 | -7.018396 | 7.623545 | other | Mg12Si10 | 22 | 1 | 427.46 |
mp-1074278 | -2.836121 | -7.423102 | 7.561483 | other | Mg16Si12 | 28 | 1 | 542.81 |
mp-1245167 | 11.903014 | 8.066847 | 0.014166 | other | Ga32O48 | 80 | 1 | 1,076.58 |
mp-1074799 | -3.269645 | -7.941352 | 7.469434 | other | Mg14Si8 | 22 | 1 | 446.39 |
mp-1245107 | 10.931318 | 9.950216 | 3.713864 | other | Hf34O68 | 102 | 1 | 1,329.34 |
mp-1074003 | -3.38913 | -8.060172 | 7.40732 | other | Mg18Si10 | 28 | 1 | 551.7 |
mp-1074468 | -2.795058 | -7.429177 | 7.467823 | other | Mg16Si12 | 28 | 1 | 559.67 |
mp-1075001 | -2.09756 | -5.855517 | 7.45169 | other | Mg12Si16 | 28 | 1 | 514.24 |
mp-1075715 | -2.488842 | -5.511368 | 7.020744 | other | Mg10Si18 | 28 | 1 | 547.76 |
mp-1074046 | -3.453402 | -8.089064 | 7.349593 | other | Mg18Si10 | 28 | 1 | 559.87 |
mp-1074526 | -2.924227 | -7.490233 | 7.567744 | other | Mg8Si6 | 14 | 1 | 263.21 |
mp-1075617 | -2.64308 | -5.384246 | 7.08412 | other | Mg10Si18 | 28 | 1 | 501.62 |
mp-1245050 | -4.583449 | -1.806643 | -6.655942 | other | Zn50S50 | 100 | 1 | 2,322.15 |
mp-1245116 | 9.46442 | 9.745741 | -0.415767 | other | Sn30O60 | 90 | 1 | 1,268.31 |
mp-1245160 | 10.073555 | 12.152259 | -4.262369 | other | V30O75 | 105 | 1 | 1,850.81 |
mp-1074011 | -2.711551 | -7.023401 | 7.646026 | other | Mg12Si10 | 22 | 1 | 417.35 |
mp-1100446 | -2.599977 | -5.381669 | 7.114572 | other | Mg8Si14 | 22 | 1 | 392.67 |
mp-1074028 | -3.485404 | -8.115787 | 7.321389 | other | Mg18Si10 | 28 | 1 | 570.33 |
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