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Content-Type: application/json
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{
"count": 146323,
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"results": [
{
"id": "mp-570252",
"created_at": "2022-09-04T14:40:10.513714Z",
"structure_string": "U8 Hg32 As16 Cl48\n1.0\n13.960750 0.000000 0.000000\n0.000000 14.219174 0.000000\n0.000000 0.000000 17.441822\nU Hg As Cl\n8 32 16 48\ndirect\n0.199939 0.490179 0.614152 U\n0.300061 0.509821 0.114152 U\n0.800061 0.990179 0.885848 U\n0.800061 0.509821 0.385848 U\n0.300061 0.990179 0.614152 U\n0.699939 0.009821 0.385848 U\n0.699939 0.490179 0.885848 U\n0.199939 0.009821 0.114152 U\n0.910652 0.009948 0.643843 Hg\n0.910652 0.490052 0.143843 Hg\n0.521782 0.208292 0.997654 Hg\n0.975571 0.756733 0.748197 Hg\n0.410652 0.490052 0.356157 Hg\n0.727745 0.734493 0.127603 Hg\n0.772255 0.265507 0.627603 Hg\n0.024429 0.243267 0.251803 Hg\n0.589348 0.509948 0.643843 Hg\n0.089348 0.990052 0.356157 Hg\n0.024429 0.256733 0.751803 Hg\n0.272255 0.265507 0.872397 Hg\n0.478218 0.791708 0.002346 Hg\n0.089348 0.509948 0.856157 Hg\n0.978218 0.708292 0.997654 Hg\n0.524429 0.256733 0.748197 Hg\n0.021782 0.208292 0.502346 Hg\n0.272255 0.234493 0.372397 Hg\n0.475571 0.756733 0.751803 Hg\n0.021782 0.291708 0.002346 Hg\n0.589348 0.990052 0.143843 Hg\n0.524429 0.243267 0.248197 Hg\n0.978218 0.791708 0.497654 Hg\n0.227745 0.734493 0.372397 Hg\n0.410652 0.009948 0.856157 Hg\n0.475571 0.743267 0.251803 Hg\n0.227745 0.765507 0.872397 Hg\n0.975571 0.743267 0.248197 Hg\n0.478218 0.708292 0.502346 Hg\n0.727745 0.765507 0.627603 Hg\n0.521782 0.291708 0.497654 Hg\n0.772255 0.234493 0.127603 Hg\n0.399119 0.670336 0.372089 As\n0.938182 0.310837 0.133423 As\n0.561818 0.689163 0.633423 As\n0.600881 0.329664 0.627911 As\n0.561818 0.810837 0.133423 As\n0.938182 0.189163 0.633423 As\n0.061818 0.810837 0.366577 As\n0.100881 0.170336 0.372089 As\n0.100881 0.329664 0.872089 As\n0.600881 0.170336 0.127911 As\n0.061818 0.689163 0.866577 As\n0.899119 0.829664 0.627911 As\n0.438182 0.189163 0.866577 As\n0.438182 0.310837 0.366577 As\n0.399119 0.829664 0.872089 As\n0.899119 0.670336 0.127911 As\n0.766367 0.924935 0.265338 Cl\n0.469353 0.512844 0.176880 Cl\n0.263767 0.832230 0.681523 Cl\n0.837768 0.351706 0.453352 Cl\n0.162232 0.648294 0.546648 Cl\n0.236233 0.167770 0.181523 Cl\n0.969353 0.512844 0.323120 Cl\n0.733633 0.075065 0.765338 Cl\n0.733633 0.424935 0.265338 Cl\n0.372162 0.490531 0.554193 Cl\n0.030647 0.012844 0.176880 Cl\n0.337768 0.148294 0.546648 Cl\n0.162232 0.851706 0.046648 Cl\n0.662232 0.851706 0.453352 Cl\n0.530647 0.487156 0.823120 Cl\n0.736233 0.332230 0.818477 Cl\n0.139340 0.398689 0.494962 Cl\n0.639340 0.101311 0.505038 Cl\n0.360660 0.898689 0.494962 Cl\n0.266367 0.924935 0.234662 Cl\n0.763767 0.667770 0.318477 Cl\n0.469353 0.987156 0.676880 Cl\n0.969353 0.987156 0.823120 Cl\n0.372162 0.009469 0.054193 Cl\n0.872162 0.490531 0.945807 Cl\n0.639340 0.398689 0.005038 Cl\n0.530647 0.012844 0.323120 Cl\n0.030647 0.487156 0.676880 Cl\n0.263767 0.667770 0.181523 Cl\n0.860660 0.898689 0.005038 Cl\n0.233633 0.424935 0.234662 Cl\n0.236233 0.332230 0.681523 Cl\n0.837768 0.148294 0.953352 Cl\n0.662232 0.648294 0.953352 Cl\n0.627838 0.990531 0.945807 Cl\n0.763767 0.832230 0.818477 Cl\n0.337768 0.351706 0.046648 Cl\n0.127838 0.990531 0.554193 Cl\n0.139340 0.101311 0.994962 Cl\n0.233633 0.075065 0.734662 Cl\n0.627838 0.509469 0.445807 Cl\n0.266367 0.575065 0.734662 Cl\n0.736233 0.167770 0.318477 Cl\n0.127838 0.509469 0.054193 Cl\n0.360660 0.601311 0.994962 Cl\n0.860660 0.601311 0.505038 Cl\n0.766367 0.575065 0.765338 Cl\n0.872162 0.009469 0.445807 Cl\n",
"nsites": 104,
"nelements": 4,
"elements": [
"U",
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Hg-U",
"density": 5.382776442281079,
"density_atomic": 0.03003712559251316,
"volume": 3462.381900681012,
"volume_molar": 20.048991510362878,
"formula_full": "U8 Hg32 As16 Cl48",
"formula_reduced": "UHg4(AsCl3)2",
"formula_anonymous": "AB2C4D6",
"energy": -384.78207981,
"energy_per_atom": -3.6998276904807694,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.31007981,
"band_gap": 0.3263,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.5053511,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.227000Z",
"spacegroup": 61
},
{
"id": "mp-1198024",
"created_at": "2022-09-04T14:45:26.134025Z",
"structure_string": "B64 P8 H192 Pt8 C56\n1.0\n14.280173 0.000000 -0.969497\n0.000000 15.556486 0.000000\n-0.103783 0.000000 15.586580\nB P H Pt C\n64 8 192 8 56\ndirect\n0.331036 0.890924 0.931527 B\n0.668964 0.390924 0.568473 B\n0.668964 0.109076 0.068473 B\n0.331036 0.609076 0.431527 B\n0.261328 0.812948 0.862875 B\n0.738672 0.312948 0.637125 B\n0.738672 0.187052 0.137125 B\n0.261328 0.687052 0.362875 B\n0.161115 0.828618 0.928909 B\n0.838885 0.328618 0.571091 B\n0.838885 0.171382 0.071091 B\n0.161115 0.671382 0.428909 B\n0.227422 0.907691 0.997429 B\n0.772578 0.407691 0.502571 B\n0.772578 0.092309 0.002571 B\n0.227422 0.592309 0.497429 B\n0.285946 0.920136 0.825785 B\n0.714054 0.420136 0.674215 B\n0.714054 0.079864 0.174215 B\n0.285946 0.579864 0.325785 B\n0.161988 0.875540 0.824314 B\n0.838012 0.375540 0.675686 B\n0.838012 0.124460 0.175686 B\n0.161988 0.624460 0.324313 B\n0.137614 0.942436 0.919675 B\n0.862386 0.442436 0.580325 B\n0.862386 0.057564 0.080325 B\n0.137614 0.557564 0.419675 B\n0.260860 0.989176 0.922052 B\n0.739140 0.489176 0.577948 B\n0.739140 0.010824 0.077948 B\n0.260860 0.510824 0.422052 B\n0.136290 0.948370 0.564305 B\n0.863710 0.448370 0.935695 B\n0.863710 0.051630 0.435695 B\n0.136290 0.551630 0.064305 B\n0.150858 0.067077 0.562291 B\n0.849142 0.567077 0.937709 B\n0.849142 0.932923 0.437709 B\n0.150858 0.432923 0.062291 B\n0.255765 0.053251 0.497075 B\n0.744235 0.553251 0.002925 B\n0.744235 0.946749 0.502925 B\n0.255765 0.446749 0.997075 B\n0.237746 0.936397 0.498763 B\n0.762254 0.436397 0.001237 B\n0.762254 0.063603 0.501237 B\n0.237746 0.563603 0.998763 B\n0.183038 0.007380 0.657443 B\n0.816962 0.507380 0.842557 B\n0.816962 0.992620 0.342557 B\n0.183038 0.492620 0.157443 B\n0.270508 0.083272 0.609790 B\n0.729492 0.583272 0.890210 B\n0.729492 0.916728 0.390210 B\n0.270508 0.416728 0.109790 B\n0.331864 0.986806 0.563921 B\n0.668136 0.486806 0.936079 B\n0.668136 0.013194 0.436079 B\n0.331864 0.513194 0.063921 B\n0.247846 0.912722 0.611498 B\n0.752154 0.412722 0.888502 B\n0.752154 0.087278 0.388502 B\n0.247846 0.587278 0.111498 B\n0.116278 0.154025 0.831967 P\n0.883722 0.654025 0.668033 P\n0.883722 0.845975 0.168033 P\n0.116278 0.345975 0.331967 P\n0.466714 0.068520 0.753118 P\n0.533286 0.568520 0.746882 P\n0.533286 0.931480 0.246882 P\n0.466714 0.431480 0.253118 P\n0.292117 0.765152 0.009624 H\n0.707883 0.265152 0.490376 H\n0.707883 0.234848 0.990376 H\n0.292117 0.734848 0.509624 H\n0.141242 0.271944 0.929161 H\n0.858758 0.771944 0.570839 H\n0.858758 0.728056 0.070839 H\n0.141242 0.228056 0.429161 H\n0.240906 0.205249 0.927712 H\n0.759094 0.705249 0.572288 H\n0.759094 0.794751 0.072288 H\n0.240906 0.294751 0.427712 H\n0.154864 0.095036 0.018473 H\n0.845136 0.595036 0.481527 H\n0.845136 0.904964 0.981527 H\n0.154864 0.404963 0.518473 H\n0.180704 0.195534 0.069484 H\n0.819296 0.695534 0.430516 H\n0.819296 0.804466 0.930516 H\n0.180704 0.304466 0.569484 H\n0.065148 0.172541 0.026772 H\n0.934852 0.672541 0.473228 H\n0.934852 0.827459 0.973228 H\n0.065148 0.327459 0.526772 H\n0.972920 0.228036 0.853891 H\n0.027080 0.728036 0.646109 H\n0.027080 0.771964 0.146109 H\n0.972920 0.271964 0.353891 H\n0.975503 0.124063 0.899845 H\n0.024497 0.624063 0.600155 H\n0.024497 0.875937 0.100155 H\n0.975503 0.375937 0.399845 H\n0.936093 0.056396 0.758326 H\n0.063907 0.556396 0.741674 H\n0.063907 0.943604 0.241674 H\n0.936093 0.443604 0.258326 H\n0.854605 0.140602 0.773625 H\n0.145395 0.640602 0.726375 H\n0.145395 0.859398 0.226375 H\n0.854605 0.359398 0.273625 H\n0.944687 0.156148 0.703625 H\n0.055313 0.656148 0.796375 H\n0.055313 0.843852 0.296375 H\n0.944687 0.343852 0.203625 H\n0.100428 0.215356 0.692029 H\n0.899572 0.715356 0.807971 H\n0.899572 0.784644 0.307971 H\n0.100428 0.284644 0.192029 H\n0.213486 0.229838 0.741207 H\n0.786514 0.729838 0.758793 H\n0.786514 0.770162 0.258793 H\n0.213486 0.270162 0.241207 H\n0.162749 0.358525 0.822164 H\n0.837251 0.858525 0.677836 H\n0.837251 0.641475 0.177836 H\n0.162749 0.141475 0.322164 H\n0.125124 0.368535 0.711740 H\n0.874876 0.868535 0.788260 H\n0.874876 0.631465 0.288260 H\n0.125124 0.131465 0.211740 H\n0.043432 0.340971 0.786444 H\n0.956568 0.840971 0.713556 H\n0.956568 0.659029 0.213556 H\n0.043432 0.159029 0.286444 H\n0.412921 0.891138 0.953280 H\n0.587079 0.391138 0.546720 H\n0.587079 0.108862 0.046720 H\n0.412921 0.608862 0.453280 H\n0.287311 0.749088 0.829446 H\n0.712689 0.249088 0.670554 H\n0.712689 0.250912 0.170554 H\n0.287311 0.750912 0.329446 H\n0.103809 0.777971 0.948646 H\n0.896191 0.277971 0.551354 H\n0.896191 0.222029 0.051354 H\n0.103809 0.722029 0.448646 H\n0.227262 0.921230 0.072979 H\n0.772738 0.421230 0.427021 H\n0.772738 0.078770 0.927021 H\n0.227262 0.578770 0.572979 H\n0.357787 0.908124 0.778093 H\n0.642213 0.408124 0.721907 H\n0.642213 0.091876 0.221907 H\n0.357787 0.591876 0.278093 H\n0.110085 0.845167 0.768507 H\n0.889915 0.345167 0.731493 H\n0.889915 0.154833 0.231493 H\n0.110085 0.654833 0.268507 H\n0.066611 0.965822 0.948655 H\n0.933389 0.465822 0.551345 H\n0.933389 0.034178 0.051345 H\n0.066611 0.534178 0.448655 H\n0.300191 0.050219 0.955360 H\n0.699809 0.550219 0.544640 H\n0.699809 0.949781 0.044640 H\n0.300191 0.449781 0.455360 H\n0.109336 0.010359 0.422828 H\n0.890664 0.510359 0.077172 H\n0.890664 0.989641 0.577172 H\n0.109336 0.489641 0.922828 H\n0.566509 0.034344 0.641381 H\n0.433491 0.534344 0.858619 H\n0.433491 0.965656 0.358619 H\n0.566509 0.465656 0.141381 H\n0.613064 0.118782 0.707528 H\n0.386936 0.618782 0.792472 H\n0.386936 0.881218 0.292472 H\n0.613064 0.381218 0.207528 H\n0.500921 0.223680 0.630816 H\n0.499079 0.723680 0.869184 H\n0.499079 0.776320 0.369184 H\n0.500921 0.276320 0.130816 H\n0.568573 0.168152 0.557843 H\n0.431427 0.668152 0.942157 H\n0.431427 0.831848 0.442157 H\n0.568573 0.331848 0.057843 H\n0.449961 0.138419 0.567497 H\n0.550039 0.638419 0.932503 H\n0.550039 0.861581 0.432503 H\n0.449961 0.361581 0.067497 H\n0.501620 0.006443 0.891130 H\n0.498380 0.506443 0.608870 H\n0.498380 0.993557 0.108870 H\n0.501620 0.493557 0.391130 H\n0.599881 0.062110 0.855971 H\n0.400119 0.562110 0.644029 H\n0.400119 0.937890 0.144029 H\n0.599881 0.437890 0.355971 H\n0.632958 0.938748 0.756991 H\n0.367042 0.438748 0.743009 H\n0.367042 0.061252 0.243009 H\n0.632958 0.561252 0.256991 H\n0.630505 0.905214 0.865600 H\n0.369495 0.405214 0.634400 H\n0.369495 0.094786 0.134400 H\n0.630505 0.594786 0.365600 H\n0.533424 0.883525 0.790321 H\n0.466576 0.383525 0.709679 H\n0.466576 0.116475 0.209679 H\n0.533424 0.616475 0.290321 H\n0.397698 0.156948 0.854718 H\n0.602302 0.656948 0.645282 H\n0.602302 0.843052 0.145282 H\n0.397698 0.343052 0.354718 H\n0.398163 0.207198 0.753559 H\n0.601837 0.707198 0.746441 H\n0.601837 0.792802 0.246441 H\n0.398163 0.292802 0.253559 H\n0.573140 0.244860 0.786865 H\n0.426860 0.744860 0.713135 H\n0.426860 0.755140 0.213135 H\n0.573140 0.255140 0.286865 H\n0.498055 0.289935 0.859791 H\n0.501945 0.789935 0.640209 H\n0.501945 0.710065 0.140209 H\n0.498055 0.210065 0.359791 H\n0.566933 0.199150 0.890433 H\n0.433067 0.699150 0.609567 H\n0.433067 0.800850 0.109567 H\n0.566933 0.300850 0.390433 H\n0.065207 0.908024 0.562622 H\n0.934793 0.408024 0.937378 H\n0.934793 0.091976 0.437378 H\n0.065207 0.591976 0.062622 H\n0.092801 0.122341 0.559993 H\n0.907199 0.622341 0.940007 H\n0.907199 0.877659 0.440007 H\n0.092801 0.377659 0.059993 H\n0.281208 0.098830 0.441590 H\n0.718792 0.598830 0.058410 H\n0.718792 0.901170 0.558410 H\n0.281208 0.401170 0.941590 H\n0.250858 0.885095 0.444011 H\n0.749142 0.385095 0.055989 H\n0.749142 0.114905 0.555989 H\n0.250858 0.614905 0.944011 H\n0.108762 0.013263 0.703222 H\n0.891238 0.513263 0.796778 H\n0.891238 0.986737 0.296778 H\n0.108762 0.486737 0.203222 H\n0.290229 0.157656 0.621192 H\n0.709771 0.657656 0.878808 H\n0.709771 0.842344 0.378808 H\n0.290229 0.342344 0.121192 H\n0.408770 0.976949 0.539888 H\n0.591230 0.476949 0.960112 H\n0.591230 0.023051 0.460112 H\n0.408770 0.523051 0.039888 H\n0.255465 0.838570 0.632005 H\n0.744535 0.338570 0.867995 H\n0.744535 0.161430 0.367995 H\n0.255465 0.661430 0.132005 H\n0.174429 0.015339 0.805674 Pt\n0.825571 0.515339 0.694326 Pt\n0.825571 0.984661 0.194326 Pt\n0.174429 0.484661 0.305674 Pt\n0.329007 0.995217 0.705489 Pt\n0.670993 0.495217 0.794511 Pt\n0.670993 0.004783 0.294511 Pt\n0.329007 0.504783 0.205489 Pt\n0.267234 0.816755 0.966841 C\n0.732766 0.316755 0.533159 C\n0.732766 0.183245 0.033159 C\n0.267234 0.683245 0.466841 C\n0.164662 0.204556 0.931868 C\n0.835338 0.704556 0.568132 C\n0.835338 0.795444 0.068132 C\n0.164662 0.295444 0.431868 C\n0.139445 0.164057 0.016157 C\n0.860555 0.664057 0.483843 C\n0.860555 0.835943 0.983843 C\n0.139445 0.335943 0.516157 C\n0.989427 0.160182 0.841615 C\n0.010573 0.660182 0.658385 C\n0.010573 0.839818 0.158385 C\n0.989427 0.339818 0.341615 C\n0.928191 0.126261 0.764569 C\n0.071809 0.626261 0.735431 C\n0.071809 0.873739 0.235431 C\n0.928191 0.373739 0.264569 C\n0.138981 0.236830 0.751862 C\n0.861019 0.736830 0.748138 C\n0.861019 0.763170 0.248138 C\n0.138981 0.263170 0.251862 C\n0.115837 0.330973 0.770188 C\n0.884163 0.830973 0.729812 C\n0.884163 0.669027 0.229812 C\n0.115837 0.169027 0.270188 C\n0.155941 0.005652 0.481012 C\n0.844059 0.505652 0.018988 C\n0.844059 0.994348 0.518988 C\n0.155941 0.494348 0.981012 C\n0.548704 0.095231 0.671897 C\n0.451296 0.595231 0.828103 C\n0.451296 0.904769 0.328103 C\n0.548704 0.404769 0.171897 C\n0.514365 0.160189 0.603350 C\n0.485635 0.660189 0.896650 C\n0.485635 0.839811 0.396650 C\n0.514365 0.339811 0.103350 C\n0.544231 0.015941 0.836092 C\n0.455769 0.515941 0.663908 C\n0.455769 0.984059 0.163908 C\n0.544231 0.484059 0.336092 C\n0.587434 0.930938 0.810242 C\n0.412566 0.430938 0.689758 C\n0.412566 0.069062 0.189758 C\n0.587434 0.569062 0.310242 C\n0.442655 0.172648 0.802807 C\n0.557345 0.672648 0.697193 C\n0.557345 0.827352 0.197193 C\n0.442655 0.327352 0.302807 C\n0.525242 0.228965 0.836248 C\n0.474758 0.728965 0.663752 C\n0.474758 0.771035 0.163752 C\n0.525242 0.271035 0.336248 C\n",
"nsites": 328,
"nelements": 5,
"elements": [
"B",
"P",
"H",
"Pt",
"C"
],
"chemical_system": "B-C-H-P-Pt",
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"structure_string": "Mg149 Sb1\n1.0\n13.844853 -7.993333 -0.000000\n0.000000 15.986668 -0.000000\n-0.000000 0.000000 15.623937\nMg Sb\n149 1\ndirect\n0.798778 0.001269 0.000000 Mg\n0.202491 0.001269 0.000000 Mg\n0.799965 0.200035 0.000000 Mg\n0.400071 0.200035 0.000000 Mg\n0.600139 0.200279 0.000000 Mg\n0.998731 0.201222 0.000000 Mg\n0.202491 0.201222 0.000000 Mg\n0.199474 0.398948 0.000000 Mg\n0.600139 0.399860 0.000000 Mg\n0.799721 0.399860 0.000000 Mg\n0.000204 0.400801 0.000000 Mg\n0.400597 0.400802 0.000000 Mg\n0.000204 0.599403 0.000000 Mg\n0.599198 0.599403 0.000000 Mg\n0.799965 0.599930 0.000000 Mg\n0.200175 0.600087 0.000000 Mg\n0.399913 0.600088 0.000000 Mg\n0.998731 0.797509 0.000000 Mg\n0.798778 0.797509 0.000000 Mg\n0.399913 0.799825 0.000000 Mg\n0.199474 0.800526 0.000000 Mg\n0.601053 0.800526 0.000000 Mg\n0.599198 0.999795 0.000000 Mg\n0.400597 0.999796 0.000000 Mg\n0.266540 0.332763 0.166171 Mg\n0.066224 0.332764 0.166171 Mg\n0.667236 0.733460 0.166171 Mg\n0.066224 0.733460 0.166171 Mg\n0.266540 0.933776 0.166171 Mg\n0.667236 0.933776 0.166171 Mg\n0.466778 0.133354 0.166287 Mg\n0.666576 0.133354 0.166287 Mg\n0.866646 0.333424 0.166287 Mg\n0.466778 0.333424 0.166287 Mg\n0.666576 0.533222 0.166287 Mg\n0.866646 0.533222 0.166287 Mg\n0.266553 0.533104 0.166363 Mg\n0.266553 0.733447 0.166363 Mg\n0.466896 0.733447 0.166363 Mg\n0.666667 0.333333 0.166445 Mg\n0.066821 0.533411 0.166430 Mg\n0.466589 0.533411 0.166430 Mg\n0.466589 0.933179 0.166430 Mg\n0.866343 0.133657 0.167294 Mg\n0.267315 0.133657 0.167294 Mg\n0.866343 0.732685 0.167294 Mg\n0.066839 0.133677 0.168351 Mg\n0.866322 0.933160 0.168351 Mg\n0.066839 0.933161 0.168351 Mg\n0.199850 0.399699 0.332775 Mg\n0.600301 0.800150 0.332775 Mg\n0.199850 0.800150 0.332775 Mg\n-0.000000 -0.000000 0.333115 Mg\n0.400023 0.200012 0.333055 Mg\n0.799988 0.200012 0.333055 Mg\n0.799988 0.599977 0.333055 Mg\n0.600129 0.200257 0.332968 Mg\n0.799743 0.399871 0.332968 Mg\n0.600129 0.399872 0.332968 Mg\n0.399857 0.999983 0.333147 Mg\n0.600126 0.999983 0.333147 Mg\n0.000017 0.399874 0.333147 Mg\n0.399857 0.399874 0.333147 Mg\n0.000017 0.600143 0.333147 Mg\n0.600126 0.600143 0.333147 Mg\n0.399886 0.600113 0.333001 Mg\n0.200226 0.600113 0.333001 Mg\n0.399886 0.799774 0.333001 Mg\n0.800153 0.000077 0.333989 Mg\n0.199925 0.000077 0.333989 Mg\n0.199925 0.199848 0.333989 Mg\n0.999923 0.199848 0.333989 Mg\n0.999923 0.800076 0.333989 Mg\n0.800153 0.800076 0.333989 Mg\n0.066487 0.132973 0.500000 Mg\n0.666496 0.133155 0.500000 Mg\n0.466660 0.133156 0.500000 Mg\n0.266647 0.133324 0.500000 Mg\n0.866676 0.133324 0.500000 Mg\n0.266604 0.333275 0.500000 Mg\n0.066672 0.333276 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.466660 0.333504 0.500000 Mg\n0.866844 0.333504 0.500000 Mg\n0.666496 0.533340 0.500000 Mg\n0.866844 0.533341 0.500000 Mg\n0.266590 0.533179 0.500000 Mg\n0.066690 0.533344 0.500000 Mg\n0.466655 0.533344 0.500000 Mg\n0.866676 0.733353 0.500000 Mg\n0.466821 0.733410 0.500000 Mg\n0.266590 0.733410 0.500000 Mg\n0.666725 0.733397 0.500000 Mg\n0.066672 0.733397 0.500000 Mg\n0.466655 0.933310 0.500000 Mg\n0.266604 0.933328 0.500000 Mg\n0.666725 0.933328 0.500000 Mg\n0.867027 0.933513 0.500000 Mg\n0.066487 0.933513 0.500000 Mg\n0.800153 0.000077 0.666011 Mg\n0.199925 0.000077 0.666011 Mg\n0.199925 0.199848 0.666011 Mg\n0.999923 0.199848 0.666011 Mg\n0.999923 0.800076 0.666011 Mg\n0.800153 0.800076 0.666011 Mg\n0.399886 0.600113 0.666999 Mg\n0.200226 0.600113 0.666999 Mg\n0.399886 0.799774 0.666999 Mg\n0.399857 0.999983 0.666853 Mg\n0.600126 0.999983 0.666853 Mg\n0.000017 0.399874 0.666853 Mg\n0.399857 0.399874 0.666853 Mg\n0.000017 0.600143 0.666853 Mg\n0.600126 0.600143 0.666853 Mg\n0.600129 0.200257 0.667031 Mg\n0.799743 0.399871 0.667031 Mg\n0.600129 0.399872 0.667031 Mg\n0.400023 0.200012 0.666945 Mg\n0.799988 0.200012 0.666945 Mg\n0.799988 0.599977 0.666945 Mg\n-0.000000 -0.000000 0.666885 Mg\n0.199850 0.399699 0.667225 Mg\n0.600301 0.800150 0.667225 Mg\n0.199850 0.800150 0.667225 Mg\n0.066839 0.133677 0.831649 Mg\n0.866322 0.933160 0.831649 Mg\n0.066839 0.933161 0.831649 Mg\n0.866343 0.133657 0.832706 Mg\n0.267315 0.133657 0.832706 Mg\n0.866343 0.732685 0.832706 Mg\n0.066821 0.533411 0.833570 Mg\n0.466589 0.533411 0.833570 Mg\n0.466589 0.933179 0.833570 Mg\n0.666667 0.333333 0.833555 Mg\n0.266553 0.533104 0.833637 Mg\n0.266553 0.733447 0.833637 Mg\n0.466896 0.733447 0.833637 Mg\n0.466778 0.133354 0.833713 Mg\n0.666576 0.133354 0.833713 Mg\n0.866646 0.333424 0.833713 Mg\n0.466778 0.333424 0.833713 Mg\n0.666576 0.533222 0.833713 Mg\n0.866646 0.533222 0.833713 Mg\n0.266540 0.332763 0.833829 Mg\n0.066224 0.332764 0.833829 Mg\n0.667236 0.733460 0.833829 Mg\n0.066224 0.733460 0.833829 Mg\n0.266540 0.933776 0.833829 Mg\n0.667236 0.933776 0.833829 Mg\n-0.000000 -0.000000 0.000000 Sb\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 1.7974463059612154,
"density_atomic": 0.04337649687947029,
"volume": 3458.093917007707,
"volume_molar": 13.88341888634678,
"formula_full": "Mg149 Sb1",
"formula_reduced": "Mg149Sb",
"formula_anonymous": "AB149",
"energy": -247.0578695,
"energy_per_atom": -1.6470524633333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.8658695,
"band_gap": 0.2663000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0339127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.224000Z",
"spacegroup": 187
},
{
"id": "mp-1186271",
"created_at": "2022-09-04T14:46:23.331784Z",
"structure_string": "Na1 Mg149\n1.0\n13.825210 -7.982007 0.000000\n0.000000 15.964013 0.000000\n0.000000 0.000000 15.666809\nNa Mg\n1 149\ndirect\n-0.000001 -0.000000 0.000000 Na\n0.799883 0.200119 0.000000 Mg\n0.400237 0.200119 0.000000 Mg\n0.600146 0.200294 0.000000 Mg\n0.001212 0.203543 0.000000 Mg\n0.202332 0.203543 0.000000 Mg\n0.799707 0.399853 0.000000 Mg\n0.600146 0.399852 0.000000 Mg\n0.400657 0.400887 0.000000 Mg\n0.000230 0.400888 0.000000 Mg\n0.200970 0.401942 0.000000 Mg\n0.000230 0.599341 0.000000 Mg\n0.599112 0.599343 0.000000 Mg\n0.799883 0.599763 0.000000 Mg\n0.399757 0.600243 0.000000 Mg\n0.200484 0.600242 0.000000 Mg\n0.001212 0.797668 0.000000 Mg\n0.796457 0.797670 0.000000 Mg\n0.598058 0.799029 0.000000 Mg\n0.200970 0.799029 0.000000 Mg\n0.399757 0.799514 0.000000 Mg\n0.202332 0.998788 0.000000 Mg\n0.796457 0.998787 0.000000 Mg\n0.400657 0.999770 0.000000 Mg\n0.599112 0.999769 0.000000 Mg\n0.265301 0.132651 0.165981 Mg\n0.867350 0.132651 0.165980 Mg\n0.867350 0.734699 0.165980 Mg\n0.666667 0.333333 0.166492 Mg\n0.666916 0.133142 0.166634 Mg\n0.466228 0.133143 0.166635 Mg\n0.466228 0.333085 0.166635 Mg\n0.866857 0.333085 0.166635 Mg\n0.866857 0.533771 0.166635 Mg\n0.666916 0.533773 0.166634 Mg\n0.466604 0.533395 0.167141 Mg\n0.066789 0.533395 0.167141 Mg\n0.466604 0.933210 0.167141 Mg\n0.266961 0.533922 0.167171 Mg\n0.266961 0.733039 0.167171 Mg\n0.466076 0.733039 0.167171 Mg\n0.267249 0.334547 0.167294 Mg\n0.067296 0.334546 0.167294 Mg\n0.067296 0.732751 0.167294 Mg\n0.665454 0.732751 0.167294 Mg\n0.665454 0.932703 0.167294 Mg\n0.267249 0.932703 0.167294 Mg\n0.067703 0.135405 0.168971 Mg\n0.067703 0.932297 0.168971 Mg\n0.864595 0.932297 0.168971 Mg\n0.400062 0.200030 0.332991 Mg\n0.799970 0.200030 0.332991 Mg\n0.799970 0.599940 0.332991 Mg\n0.600103 0.200206 0.333183 Mg\n0.799794 0.399897 0.333183 Mg\n0.600103 0.399897 0.333183 Mg\n0.000000 0.000000 0.333390 Mg\n0.599716 0.000192 0.333705 Mg\n0.400475 0.000190 0.333705 Mg\n0.999809 0.400284 0.333704 Mg\n0.400475 0.400284 0.333705 Mg\n0.599716 0.599524 0.333705 Mg\n0.999809 0.599525 0.333704 Mg\n0.399991 0.600009 0.333758 Mg\n0.200019 0.600009 0.333758 Mg\n0.399991 0.799983 0.333758 Mg\n0.200203 0.400405 0.333837 Mg\n0.599593 0.799797 0.333839 Mg\n0.200203 0.799797 0.333837 Mg\n0.799453 0.000117 0.333851 Mg\n0.200663 0.000116 0.333850 Mg\n0.200663 0.200548 0.333850 Mg\n0.999884 0.200548 0.333851 Mg\n0.799453 0.799336 0.333851 Mg\n0.999884 0.799336 0.333851 Mg\n0.066765 0.133530 0.500000 Mg\n0.866476 0.133523 0.500000 Mg\n0.267048 0.133524 0.500000 Mg\n0.466928 0.133723 0.500000 Mg\n0.666796 0.133724 0.500000 Mg\n0.866277 0.333203 0.500000 Mg\n0.466928 0.333204 0.500000 Mg\n0.666668 0.333333 0.500000 Mg\n0.066926 0.333779 0.500000 Mg\n0.266852 0.333778 0.500000 Mg\n0.866277 0.533073 0.500000 Mg\n0.666796 0.533073 0.500000 Mg\n0.466610 0.533391 0.500000 Mg\n0.066781 0.533391 0.500000 Mg\n0.266835 0.533670 0.500000 Mg\n0.866476 0.732953 0.500000 Mg\n0.666222 0.733148 0.500000 Mg\n0.066926 0.733147 0.500000 Mg\n0.266835 0.733165 0.500000 Mg\n0.466330 0.733166 0.500000 Mg\n0.666222 0.933075 0.500000 Mg\n0.266852 0.933074 0.500000 Mg\n0.466610 0.933219 0.500000 Mg\n0.866472 0.933236 0.500000 Mg\n0.066765 0.933235 0.500000 Mg\n0.799453 0.000117 0.666149 Mg\n0.200663 0.000116 0.666150 Mg\n0.200663 0.200548 0.666150 Mg\n0.999884 0.200548 0.666149 Mg\n0.799453 0.799336 0.666149 Mg\n0.999884 0.799336 0.666149 Mg\n0.200203 0.400405 0.666163 Mg\n0.599593 0.799797 0.666161 Mg\n0.200203 0.799797 0.666163 Mg\n0.399991 0.600009 0.666242 Mg\n0.200019 0.600009 0.666242 Mg\n0.399991 0.799983 0.666242 Mg\n0.599716 0.000192 0.666295 Mg\n0.400475 0.000190 0.666295 Mg\n0.999809 0.400284 0.666296 Mg\n0.400475 0.400284 0.666295 Mg\n0.599716 0.599524 0.666295 Mg\n0.999809 0.599525 0.666296 Mg\n0.000000 0.000000 0.666610 Mg\n0.600103 0.200206 0.666817 Mg\n0.799794 0.399897 0.666817 Mg\n0.600103 0.399897 0.666817 Mg\n0.400062 0.200030 0.667009 Mg\n0.799970 0.200030 0.667009 Mg\n0.799970 0.599940 0.667009 Mg\n0.067703 0.135405 0.831029 Mg\n0.067703 0.932297 0.831029 Mg\n0.864595 0.932297 0.831029 Mg\n0.267249 0.334547 0.832706 Mg\n0.067296 0.334546 0.832706 Mg\n0.067296 0.732751 0.832706 Mg\n0.665454 0.732751 0.832706 Mg\n0.665454 0.932703 0.832706 Mg\n0.267249 0.932703 0.832706 Mg\n0.266961 0.533922 0.832830 Mg\n0.266961 0.733039 0.832830 Mg\n0.466076 0.733039 0.832830 Mg\n0.466604 0.533395 0.832859 Mg\n0.066789 0.533395 0.832859 Mg\n0.466604 0.933210 0.832859 Mg\n0.666916 0.133142 0.833366 Mg\n0.466228 0.133143 0.833365 Mg\n0.466228 0.333085 0.833365 Mg\n0.866857 0.333085 0.833365 Mg\n0.866857 0.533771 0.833365 Mg\n0.666916 0.533773 0.833366 Mg\n0.666667 0.333333 0.833508 Mg\n0.265301 0.132651 0.834020 Mg\n0.867350 0.132651 0.834021 Mg\n0.867350 0.734699 0.834021 Mg\n",
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"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.7501888808713693,
"density_atomic": 0.043380734468128054,
"volume": 3457.756117757882,
"volume_molar": 13.8820627032594,
"formula_full": "Na1 Mg149",
"formula_reduced": "NaMg149",
"formula_anonymous": "AB149",
"energy": -243.33044247,
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"energy_uncorrected": -243.33044247,
"band_gap": 0.5468999999999999,
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"updated_at": "2021-11-28T01:37:29.983000Z",
"spacegroup": 187
},
{
"id": "mp-1207296",
"created_at": "2022-09-04T14:42:26.685958Z",
"structure_string": "Li1 Ho3 S6\n1.0\n4.834722 -8.708393 0.000000\n4.834722 8.708393 0.000000\n0.000000 0.000000 41.039231\nLi Ho S\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.000000 0.500000 0.000000 Ho\n0.000000 0.000000 0.231064 S\n0.000000 0.000000 0.768936 S\n0.244895 0.994835 0.000000 S\n0.755105 0.005165 0.000000 S\n0.994835 0.244895 0.000000 S\n0.005165 0.755105 0.000000 S\n",
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"nelements": 3,
"elements": [
"Li",
"Ho",
"S"
],
"chemical_system": "Ho-Li-S",
"density": 0.33353863340883616,
"density_atomic": 0.00289375169743972,
"volume": 3455.7215150310285,
"volume_molar": 208.10841390877314,
"formula_full": "Li1 Ho3 S6",
"formula_reduced": "Li(HoS2)3",
"formula_anonymous": "AB3C6",
"energy": -34.43289041,
"energy_per_atom": -3.443289041,
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"energy_uncorrected": -31.41489041,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:44.172000Z",
"spacegroup": 65
},
{
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"created_at": "2022-09-04T14:40:29.840286Z",
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"formula_full": "Ga8 P24 N24 Cl72",
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"updated_at": "2021-11-28T01:34:48.673000Z",
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},
{
"id": "mp-866755",
"created_at": "2022-09-04T14:39:31.379402Z",
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{
"id": "mp-1186748",
"created_at": "2022-09-04T14:39:29.087699Z",
"structure_string": "Pm1 Mg149\n1.0\n13.839319 -7.990140 0.000000\n-0.000013 15.980255 0.000000\n0.000000 0.000000 15.615370\nPm Mg\n1 149\ndirect\n0.000001 0.000002 -0.000000 Pm\n0.600061 0.200121 -0.000000 Mg\n0.401374 0.200687 -0.000000 Mg\n0.799312 0.200687 -0.000000 Mg\n0.003324 0.205947 -0.000000 Mg\n0.202623 0.205947 -0.000000 Mg\n0.600062 0.399939 -0.000000 Mg\n0.799877 0.399939 -0.000000 Mg\n0.000178 0.400349 -0.000000 Mg\n0.400171 0.400350 -0.000000 Mg\n0.201757 0.403515 -0.000000 Mg\n0.799314 0.598627 -0.000000 Mg\n0.000177 0.599828 -0.000000 Mg\n0.599652 0.599829 -0.000000 Mg\n0.200602 0.600300 -0.000000 Mg\n0.399699 0.600300 -0.000000 Mg\n0.794052 0.797375 -0.000000 Mg\n0.003324 0.797375 -0.000000 Mg\n0.596487 0.798244 -0.000000 Mg\n0.201756 0.798244 -0.000000 Mg\n0.399700 0.799399 -0.000000 Mg\n0.794053 0.996676 -0.000000 Mg\n0.202624 0.996676 -0.000000 Mg\n0.400171 0.999821 -0.000000 Mg\n0.599650 0.999821 -0.000000 Mg\n0.263242 0.131621 0.164416 Mg\n0.868379 0.131622 0.164416 Mg\n0.868379 0.736758 0.164415 Mg\n0.666667 0.333333 0.166154 Mg\n0.465463 0.132895 0.166504 Mg\n0.667432 0.132895 0.166504 Mg\n0.465463 0.332568 0.166503 Mg\n0.867105 0.332568 0.166503 Mg\n0.867104 0.534536 0.166504 Mg\n0.667432 0.534536 0.166504 Mg\n0.066700 0.533350 0.167337 Mg\n0.466649 0.533350 0.167337 Mg\n0.466650 0.933301 0.167337 Mg\n0.267190 0.534379 0.167412 Mg\n0.465620 0.732809 0.167412 Mg\n0.267189 0.732809 0.167412 Mg\n0.068094 0.335981 0.167815 Mg\n0.267888 0.335981 0.167815 Mg\n0.664018 0.732113 0.167815 Mg\n0.068094 0.732113 0.167815 Mg\n0.267889 0.931906 0.167815 Mg\n0.664019 0.931907 0.167815 Mg\n0.068241 0.136482 0.170377 Mg\n0.068240 0.931759 0.170376 Mg\n0.863519 0.931760 0.170376 Mg\n0.399741 0.199871 0.332790 Mg\n0.800130 0.199871 0.332790 Mg\n0.800130 0.600259 0.332789 Mg\n0.600018 0.200036 0.332807 Mg\n0.799965 0.399982 0.332807 Mg\n0.600018 0.399983 0.332807 Mg\n0.799366 0.000066 0.333627 Mg\n0.200700 0.000066 0.333627 Mg\n0.200700 0.200634 0.333626 Mg\n0.999935 0.200634 0.333626 Mg\n0.799366 0.799301 0.333626 Mg\n0.999936 0.799301 0.333626 Mg\n0.400488 0.000187 0.333773 Mg\n0.599700 0.000188 0.333773 Mg\n0.999812 0.400299 0.333773 Mg\n0.400488 0.400300 0.333773 Mg\n0.599701 0.599512 0.333773 Mg\n0.999812 0.599512 0.333773 Mg\n0.400030 0.599971 0.333765 Mg\n0.199940 0.599971 0.333765 Mg\n0.400030 0.800060 0.333766 Mg\n0.200251 0.400504 0.334182 Mg\n0.599496 0.799748 0.334181 Mg\n0.200252 0.799749 0.334181 Mg\n0.000000 0.000000 0.334605 Mg\n0.267132 0.133566 0.500000 Mg\n0.866434 0.133566 0.500000 Mg\n0.066790 0.133578 0.500000 Mg\n0.467087 0.134246 0.500000 Mg\n0.667160 0.134246 0.500000 Mg\n0.467087 0.332840 0.500000 Mg\n0.865754 0.332840 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266806 0.333660 0.500000 Mg\n0.066854 0.333660 0.500000 Mg\n0.865753 0.532912 0.500000 Mg\n0.667159 0.532912 0.500000 Mg\n0.066123 0.533062 0.500000 Mg\n0.466939 0.533062 0.500000 Mg\n0.266775 0.533549 0.500000 Mg\n0.866434 0.732867 0.500000 Mg\n0.066854 0.733194 0.500000 Mg\n0.666340 0.733194 0.500000 Mg\n0.466450 0.733224 0.500000 Mg\n0.266774 0.733225 0.500000 Mg\n0.866423 0.933211 0.500000 Mg\n0.066789 0.933211 0.500000 Mg\n0.266806 0.933146 0.500000 Mg\n0.666340 0.933146 0.500000 Mg\n0.466938 0.933877 0.500000 Mg\n0.000000 0.000000 0.665396 Mg\n0.200251 0.400504 0.665818 Mg\n0.599496 0.799748 0.665819 Mg\n0.200252 0.799749 0.665819 Mg\n0.400030 0.599971 0.666235 Mg\n0.199940 0.599971 0.666235 Mg\n0.400030 0.800060 0.666234 Mg\n0.400488 0.000187 0.666227 Mg\n0.599700 0.000188 0.666227 Mg\n0.999812 0.400299 0.666227 Mg\n0.400488 0.400300 0.666227 Mg\n0.599701 0.599512 0.666227 Mg\n0.999812 0.599512 0.666227 Mg\n0.799366 0.000066 0.666373 Mg\n0.200700 0.000066 0.666373 Mg\n0.200700 0.200634 0.666374 Mg\n0.999935 0.200634 0.666374 Mg\n0.799366 0.799301 0.666374 Mg\n0.999936 0.799301 0.666374 Mg\n0.600018 0.200036 0.667193 Mg\n0.799965 0.399982 0.667193 Mg\n0.600018 0.399983 0.667193 Mg\n0.399741 0.199871 0.667210 Mg\n0.800130 0.199871 0.667210 Mg\n0.800130 0.600259 0.667211 Mg\n0.068241 0.136482 0.829622 Mg\n0.068240 0.931759 0.829623 Mg\n0.863519 0.931760 0.829623 Mg\n0.068094 0.335981 0.832186 Mg\n0.267888 0.335981 0.832186 Mg\n0.664018 0.732113 0.832186 Mg\n0.068094 0.732113 0.832186 Mg\n0.267889 0.931906 0.832186 Mg\n0.664019 0.931907 0.832186 Mg\n0.267190 0.534379 0.832589 Mg\n0.465620 0.732809 0.832589 Mg\n0.267189 0.732809 0.832589 Mg\n0.066700 0.533350 0.832663 Mg\n0.466649 0.533350 0.832663 Mg\n0.466650 0.933301 0.832663 Mg\n0.465463 0.132895 0.833496 Mg\n0.667432 0.132895 0.833496 Mg\n0.465463 0.332568 0.833497 Mg\n0.867105 0.332568 0.833497 Mg\n0.867104 0.534536 0.833496 Mg\n0.667432 0.534536 0.833496 Mg\n0.666667 0.333333 0.833846 Mg\n0.263242 0.131621 0.835584 Mg\n0.868379 0.131622 0.835584 Mg\n0.868379 0.736758 0.835585 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Pm",
"Mg"
],
"chemical_system": "Mg-Pm",
"density": 1.8110491096132746,
"density_atomic": 0.04343509329805489,
"volume": 3453.428751049035,
"volume_molar": 13.864689362298858,
"formula_full": "Pm1 Mg149",
"formula_reduced": "PmMg149",
"formula_anonymous": "AB149",
"energy": -246.87567468,
"energy_per_atom": -1.6458378312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.87567468,
"band_gap": 0.1908999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.1883916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.546000Z",
"spacegroup": 187
}
]
}