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{
"id": "mp-1209358",
"created_at": "2022-09-04T14:48:22.268487Z",
"structure_string": "Rb6 Ta4 As2 S22\n1.0\n6.629852 7.401413 0.000000\n-6.629852 7.401413 0.000000\n0.000000 1.465517 9.684429\nRb Ta As S\n6 4 2 22\ndirect\n0.306310 0.460833 0.339764 Rb\n0.460833 0.306310 0.839764 Rb\n0.567339 0.699747 0.669692 Rb\n0.699747 0.567339 0.169692 Rb\n0.933192 0.095200 0.926747 Rb\n0.095200 0.933192 0.426747 Rb\n0.202098 0.662223 0.946473 Ta\n0.662223 0.202098 0.446473 Ta\n0.955240 0.538101 0.761350 Ta\n0.538101 0.955240 0.261350 Ta\n0.006466 0.323506 0.503184 As\n0.323506 0.006466 0.003184 As\n0.219270 0.636442 0.696049 S\n0.636442 0.219270 0.196049 S\n0.230748 0.833888 0.746764 S\n0.833888 0.230748 0.246764 S\n0.412231 0.583648 0.998561 S\n0.583648 0.412231 0.498561 S\n0.121328 0.336489 0.692785 S\n0.336489 0.121328 0.192785 S\n0.553146 0.052870 0.637758 S\n0.052870 0.553146 0.137758 S\n0.770942 0.435571 0.848946 S\n0.435571 0.770942 0.348946 S\n0.919083 0.542525 0.512948 S\n0.542525 0.919083 0.012948 S\n0.881671 0.781606 0.706715 S\n0.781606 0.881671 0.206715 S\n0.854192 0.173265 0.595810 S\n0.173265 0.854192 0.095810 S\n0.098434 0.438978 0.969318 S\n0.438978 0.098434 0.469318 S\n0.926286 0.727632 0.908487 S\n0.727632 0.926286 0.408487 S\n",
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{
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"structure_string": "Na12 Ni4 O8\n1.0\n5.540888 0.000000 0.000000\n0.000000 5.540888 0.000000\n0.000000 0.000000 12.181011\nNa Ni O\n12 4 8\ndirect\n0.520007 0.021845 0.626080 Na\n0.521845 0.979993 0.376080 Na\n0.549541 0.450459 0.250000 Na\n0.950459 0.950459 0.000000 Na\n0.978155 0.479993 0.873920 Na\n0.979993 0.521845 0.623920 Na\n0.020007 0.478155 0.123920 Na\n0.021845 0.520007 0.373920 Na\n0.049541 0.049541 0.500000 Na\n0.450459 0.549541 0.750000 Na\n0.478155 0.020007 0.876080 Na\n0.479993 0.978155 0.126080 Na\n0.504202 0.504202 0.500000 Ni\n0.995798 0.004202 0.750000 Ni\n0.004202 0.995798 0.250000 Ni\n0.495798 0.495798 0.000000 Ni\n0.721174 0.266494 0.010021 O\n0.733506 0.278826 0.489979 O\n0.766494 0.778826 0.760021 O\n0.778826 0.766494 0.239979 O\n0.221174 0.233506 0.739979 O\n0.233506 0.221174 0.260021 O\n0.266494 0.721174 0.989979 O\n0.278826 0.733506 0.510021 O\n",
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},
{
"id": "mp-760020",
"created_at": "2022-09-04T14:48:22.275840Z",
"structure_string": "V12 Pb1 O30\n1.0\n-7.346339 0.000000 0.000000\n1.834083 7.922153 0.000000\n-0.005198 -3.383974 -9.723794\nV Pb O\n12 1 30\ndirect\n0.832315 0.329752 0.903075 V\n0.331936 0.327356 0.900838 V\n0.857609 0.430416 0.593775 V\n0.357295 0.429600 0.592794 V\n0.555013 0.223588 0.112400 V\n0.058156 0.228209 0.113169 V\n0.942134 0.769234 0.885987 V\n0.439890 0.758960 0.880765 V\n0.140918 0.566260 0.404577 V\n0.642454 0.566686 0.404517 V\n0.669414 0.672786 0.102242 V\n0.167296 0.673831 0.102051 V\n0.495676 0.001292 0.602597 Pb\n0.772708 0.132080 0.783868 O\n0.295864 0.128062 0.780276 O\n0.601376 0.376070 0.949060 O\n0.085757 0.371418 0.945745 O\n0.797540 0.213875 0.536648 O\n0.309822 0.212647 0.535014 O\n0.000235 0.001062 0.001770 O\n0.500505 0.001872 0.004551 O\n0.554520 0.218611 0.269571 O\n0.055216 0.219970 0.268894 O\n0.868891 0.476857 0.779193 O\n0.369804 0.478673 0.776100 O\n0.623563 0.489955 0.572780 O\n0.120616 0.486720 0.571256 O\n0.315460 0.269236 0.075891 O\n0.818772 0.268605 0.075143 O\n0.690273 0.733591 0.929643 O\n0.176584 0.733582 0.929648 O\n0.878020 0.510988 0.424571 O\n0.377557 0.511037 0.425160 O\n0.630269 0.526148 0.220100 O\n0.132531 0.525323 0.219627 O\n0.946016 0.784048 0.732315 O\n0.445769 0.783437 0.724766 O\n0.693197 0.784076 0.465486 O\n0.198971 0.784089 0.465613 O\n0.907520 0.628260 0.056848 O\n0.406779 0.628224 0.049312 O\n0.714513 0.868059 0.216199 O\n0.219548 0.868655 0.216468 O\n",
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"volume": 565.9133517742198,
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"formula_full": "V12 Pb1 O30",
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"energy": -359.2468793,
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},
{
"id": "mp-558636",
"created_at": "2022-09-04T14:48:22.279497Z",
"structure_string": "Ca2 Al4 O8\n1.0\n3.807164 0.000000 0.000000\n0.000000 5.611053 0.000000\n0.000000 1.372039 6.978744\nCa Al O\n2 4 8\ndirect\n0.750000 0.731693 0.571991 Ca\n0.250000 0.268307 0.428009 Ca\n0.750000 0.847272 0.129009 Al\n0.250000 0.152728 0.870991 Al\n0.750000 0.344943 0.112448 Al\n0.250000 0.655057 0.887552 Al\n0.250000 0.941408 0.692611 O\n0.250000 0.858745 0.071163 O\n0.250000 0.455692 0.696729 O\n0.750000 0.642696 0.925505 O\n0.750000 0.544308 0.303271 O\n0.750000 0.141255 0.928837 O\n0.250000 0.357304 0.074495 O\n0.750000 0.058592 0.307389 O\n",
"nsites": 14,
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"elements": [
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],
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"volume": 149.08131798424665,
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"formula_full": "Ca2 Al4 O8",
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"formula_anonymous": "AB2C4",
"energy": -106.6928101,
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},
{
"id": "mp-775168",
"created_at": "2022-09-04T14:48:22.286953Z",
"structure_string": "Mn1 Cu3 P4 O16\n1.0\n5.940543 0.000000 0.000000\n0.000000 4.882530 0.000000\n0.000000 0.160506 9.747584\nMn Cu P O\n1 3 4 16\ndirect\n0.000000 0.061445 0.714915 Mn\n0.500000 0.929177 0.284979 Cu\n0.500000 0.597425 0.789251 Cu\n0.000000 0.425860 0.217430 Cu\n0.000000 0.907676 0.401652 P\n0.000000 0.582789 0.903673 P\n0.500000 0.422622 0.100016 P\n0.500000 0.083823 0.596650 P\n0.000000 0.837634 0.557178 O\n0.202441 0.761647 0.329614 O\n0.797559 0.761647 0.329614 O\n0.500000 0.767947 0.616641 O\n0.500000 0.734817 0.119112 O\n0.199384 0.741060 0.829937 O\n0.800616 0.741060 0.829937 O\n0.000000 0.647872 0.057836 O\n0.500000 0.369024 0.943642 O\n0.702119 0.266349 0.169709 O\n0.297881 0.266349 0.169709 O\n0.000000 0.274189 0.879454 O\n0.000000 0.222623 0.385083 O\n0.705088 0.224857 0.666669 O\n0.294912 0.224857 0.666669 O\n0.500000 0.147246 0.440625 O\n",
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{
"id": "mp-1177109",
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"structure_string": "Li5 Mn8 B8 O24\n1.0\n5.322173 0.000000 0.000000\n0.025424 9.106416 0.000000\n0.465046 0.016694 10.411857\nLi Mn B O\n5 8 8 24\ndirect\n0.161966 0.997863 0.852519 Li\n0.634491 0.517739 0.332846 Li\n0.645184 0.488777 0.835278 Li\n0.844288 0.998887 0.087686 Li\n0.864838 0.007375 0.579773 Li\n0.148554 0.308312 0.366085 Mn\n0.152708 0.674961 0.864686 Mn\n0.332093 0.828955 0.127606 Mn\n0.345930 0.171156 0.622628 Mn\n0.654520 0.847579 0.371180 Mn\n0.654028 0.162693 0.875247 Mn\n0.837594 0.345312 0.119946 Mn\n0.836545 0.655618 0.614457 Mn\n0.159561 0.653464 0.371338 B\n0.158049 0.339345 0.874800 B\n0.331976 0.161106 0.123056 B\n0.337062 0.834432 0.636106 B\n0.677950 0.179952 0.373754 B\n0.670998 0.827716 0.870737 B\n0.833242 0.684315 0.119621 B\n0.835946 0.314081 0.625354 B\n0.064348 0.694154 0.048587 O\n0.058739 0.296814 0.550912 O\n0.194386 0.038752 0.099891 O\n0.216211 0.285709 0.179745 O\n0.197894 0.961456 0.648740 O\n0.224929 0.700491 0.678650 O\n0.278830 0.521064 0.373075 O\n0.287277 0.778826 0.327093 O\n0.269327 0.206358 0.833830 O\n0.291647 0.466713 0.872074 O\n0.427572 0.184149 0.415161 O\n0.412830 0.831575 0.899860 O\n0.588523 0.167951 0.084325 O\n0.582989 0.834287 0.582970 O\n0.723021 0.554468 0.149437 O\n0.725418 0.817623 0.162591 O\n0.726304 0.182280 0.671600 O\n0.734291 0.446013 0.655971 O\n0.784885 0.312965 0.325949 O\n0.815376 0.055344 0.387974 O\n0.780803 0.694890 0.827821 O\n0.812472 0.951249 0.889288 O\n0.903875 0.668143 0.414271 O\n0.902839 0.336784 0.919195 O\n",
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{
"id": "mp-772840",
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"structure_string": "Sm8 Ge8 O28\n1.0\n6.987329 0.000000 0.000000\n0.000000 6.987329 0.000000\n0.000000 0.000000 12.733641\nSm Ge O\n8 8 28\ndirect\n0.122611 0.649758 0.134645 Sm\n0.149758 0.377389 0.884645 Sm\n0.350242 0.877389 0.365355 Sm\n0.377389 0.149758 0.115355 Sm\n0.622611 0.850242 0.615355 Sm\n0.649758 0.122611 0.865355 Sm\n0.850242 0.622611 0.384645 Sm\n0.877389 0.350242 0.634645 Sm\n0.098312 0.845746 0.621181 Ge\n0.154254 0.901688 0.878819 Ge\n0.345746 0.401688 0.371181 Ge\n0.401688 0.345746 0.628819 Ge\n0.598312 0.654254 0.128819 Ge\n0.654254 0.598312 0.871181 Ge\n0.845746 0.098312 0.378819 Ge\n0.901688 0.154254 0.121181 Ge\n0.026772 0.924402 0.374756 O\n0.062124 0.336670 0.072101 O\n0.075598 0.973228 0.125244 O\n0.143109 0.690527 0.953636 O\n0.163330 0.562124 0.322101 O\n0.190527 0.356891 0.703636 O\n0.196594 0.803406 0.750000 O\n0.303406 0.303406 0.500000 O\n0.309473 0.856891 0.546364 O\n0.336670 0.062124 0.927899 O\n0.356891 0.190527 0.296364 O\n0.424402 0.473228 0.124756 O\n0.437876 0.836670 0.177899 O\n0.473228 0.424402 0.875244 O\n0.526772 0.575598 0.375244 O\n0.562124 0.163330 0.677899 O\n0.575598 0.526772 0.624756 O\n0.643109 0.809473 0.796364 O\n0.663330 0.937876 0.427899 O\n0.690527 0.143109 0.046364 O\n0.696594 0.696594 0.000000 O\n0.803406 0.196594 0.250000 O\n0.809473 0.643109 0.203636 O\n0.836670 0.437876 0.822101 O\n0.856891 0.309473 0.453636 O\n0.924402 0.026772 0.625244 O\n0.937876 0.663330 0.572101 O\n0.973228 0.075598 0.874756 O\n",
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{
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"structure_string": "Sr1 Pd5\n1.0\n2.730295 -4.729010 0.000000\n2.730295 4.729010 0.000000\n0.000000 0.000000 4.464369\nSr Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n",
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{
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{
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{
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"created_at": "2022-09-04T14:48:22.281885Z",
"structure_string": "Yb3 N21 O45\n1.0\n5.776083 -10.004470 0.000000\n5.776083 10.004470 0.000000\n0.000000 0.000000 9.697128\nYb N O\n3 21 45\ndirect\n0.665258 0.666538 0.918871 Yb\n0.001280 0.334742 0.585537 Yb\n0.333462 0.998720 0.252204 Yb\n0.897840 0.259420 0.883368 N\n0.361580 0.102160 0.550034 N\n0.740580 0.638420 0.216701 N\n0.917045 0.917946 0.924071 N\n0.000901 0.082955 0.590738 N\n0.082054 0.999099 0.257405 N\n0.748251 0.331551 0.527824 N\n0.583299 0.251749 0.194491 N\n0.668449 0.416701 0.861158 N\n0.546737 0.998639 0.759306 N\n0.451902 0.453263 0.425973 N\n0.001361 0.548098 0.092639 N\n0.416206 0.668236 0.986006 N\n0.252029 0.583794 0.652673 N\n0.331764 0.747971 0.319340 N\n0.638438 0.738611 0.630784 N\n0.100174 0.361562 0.297450 N\n0.261389 0.899826 0.964117 N\n0.270568 0.274298 0.925594 N\n0.003731 0.729432 0.592261 N\n0.725702 0.996269 0.258927 N\n0.663925 0.821098 0.728941 O\n0.157173 0.336075 0.395608 O\n0.178902 0.842827 0.062275 O\n0.627498 0.767051 0.510300 O\n0.139553 0.372502 0.176966 O\n0.232949 0.860447 0.843633 O\n0.423137 0.566954 0.946948 O\n0.143817 0.576863 0.613614 O\n0.433046 0.856183 0.280281 O\n0.001317 0.375739 0.330074 O\n0.374422 0.998683 0.996740 O\n0.624261 0.625578 0.663407 O\n0.525257 0.776554 0.001138 O\n0.251297 0.474743 0.667805 O\n0.223446 0.748703 0.334472 O\n0.914694 0.095924 0.521897 O\n0.181230 0.085306 0.188564 O\n0.904076 0.818770 0.855230 O\n0.858720 0.232569 0.004272 O\n0.373849 0.141280 0.670939 O\n0.767431 0.626151 0.337606 O\n0.839658 0.176197 0.786816 O\n0.336539 0.160342 0.453483 O\n0.823803 0.663461 0.120150 O\n0.354046 0.693089 0.674183 O\n0.339043 0.645954 0.340850 O\n0.306911 0.660957 0.007517 O\n0.855509 0.432197 0.569878 O\n0.576687 0.144491 0.236545 O\n0.567803 0.423313 0.903212 O\n0.973785 0.997141 0.256974 O\n0.023355 0.026215 0.923641 O\n0.002859 0.976645 0.590308 O\n0.996962 0.371040 0.850229 O\n0.374078 0.003038 0.516895 O\n0.628960 0.625922 0.183562 O\n0.661030 0.307462 0.838432 O\n0.646432 0.338970 0.505099 O\n0.692538 0.353568 0.171765 O\n0.817028 0.902324 0.993356 O\n0.085296 0.182972 0.660023 O\n0.097676 0.914704 0.326689 O\n0.749777 0.223787 0.510857 O\n0.474010 0.250223 0.177524 O\n0.776213 0.525990 0.844191 O\n",
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{
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"structure_string": "Sb1 Pb3 S4\n1.0\n4.273389 0.000000 0.000000\n0.000000 4.211541 0.000000\n0.000000 1.088373 17.517364\nSb Pb S\n1 3 4\ndirect\n0.500000 0.648341 0.912572 Sb\n0.500000 0.839804 0.250708 Pb\n0.000000 0.156424 0.748273 Pb\n0.000000 0.375754 0.083431 Pb\n0.500000 0.904118 0.094872 S\n0.000000 0.073333 0.902299 S\n0.000000 0.355967 0.240120 S\n0.500000 0.646259 0.767724 S\n",
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}