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{
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"structure_string": "Ba8 Ru2 N8\n1.0\n7.015795 0.257157 -0.332947\n2.841310 6.487396 -0.318252\n1.547278 2.518643 8.790915\nBa Ru N\n8 2 8\ndirect\n0.820047 0.611508 0.131585 Ba\n0.179953 0.388492 0.868415 Ba\n0.709535 0.218206 0.962329 Ba\n0.290465 0.781794 0.037671 Ba\n0.732407 0.522621 0.561635 Ba\n0.267593 0.477379 0.438365 Ba\n0.226620 0.934451 0.630378 Ba\n0.773380 0.065549 0.369622 Ba\n0.757362 0.862584 0.749191 Ru\n0.242638 0.137416 0.250809 Ru\n0.970596 0.726592 0.602482 N\n0.029404 0.273408 0.397518 N\n0.969370 0.834102 0.882900 N\n0.030630 0.165898 0.117100 N\n0.671887 0.635060 0.849265 N\n0.328113 0.364940 0.150735 N\n0.445204 0.865025 0.331582 N\n0.554796 0.134975 0.668418 N\n",
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{
"id": "mp-1176836",
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"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n5.214533 0.000000 0.000000\n0.012999 9.059725 0.000000\n0.153821 0.280344 10.359477\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.146350 0.174004 0.668040 Li\n0.185907 0.160366 0.167025 Li\n0.320980 0.331747 0.416813 Li\n0.337931 0.326513 0.916965 Li\n0.647943 0.672997 0.666672 Li\n0.686291 0.660374 0.167314 Li\n0.818909 0.832070 0.417161 Li\n0.836200 0.826992 0.917551 Li\n0.160206 0.839261 0.632806 Mn\n0.183170 0.497113 0.132499 Fe\n0.338776 0.663818 0.382664 Fe\n0.324503 0.999741 0.882801 Fe\n0.654086 0.339460 0.632000 Fe\n0.683684 0.997596 0.131816 Fe\n0.838183 0.163432 0.383571 Fe\n0.825437 0.499861 0.883480 Fe\n0.173237 0.830634 0.126323 B\n0.159179 0.500775 0.625692 B\n0.336009 0.996396 0.374892 B\n0.328134 0.665709 0.877155 B\n0.673465 0.330871 0.126314 B\n0.657962 0.003313 0.626353 B\n0.836324 0.496251 0.375675 B\n0.827628 0.166600 0.876340 B\n0.096989 0.483691 0.345159 O\n0.093301 0.177451 0.863991 O\n0.178826 0.790167 0.847526 O\n0.193177 0.873367 0.414788 O\n0.218692 0.134426 0.362899 O\n0.213407 0.533394 0.916810 O\n0.271775 0.362297 0.612842 O\n0.291070 0.965966 0.096267 O\n0.305333 0.626113 0.595141 O\n0.317367 0.708492 0.165631 O\n0.408922 0.318115 0.113010 O\n0.403924 0.018827 0.667654 O\n0.596721 0.984377 0.344760 O\n0.593288 0.676332 0.863277 O\n0.678595 0.290565 0.845186 O\n0.693893 0.373072 0.416628 O\n0.719014 0.633729 0.362696 O\n0.713448 0.034444 0.917000 O\n0.791045 0.466080 0.096234 O\n0.763834 0.864195 0.611785 O\n0.805652 0.128800 0.595712 O\n0.817510 0.208735 0.165931 O\n0.908712 0.818001 0.112938 O\n0.904409 0.512877 0.665811 O\n",
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"formula_full": "Li8 Mn1 Fe7 B8 O24",
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},
{
"id": "mp-1183709",
"created_at": "2022-09-04T14:42:07.822372Z",
"structure_string": "Ce1 Pa3\n1.0\n4.653349 0.000000 0.000000\n0.000000 4.653349 0.000000\n0.000000 0.000000 4.653349\nCe Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
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},
{
"id": "mp-781997",
"created_at": "2022-09-04T14:42:07.824975Z",
"structure_string": "Sm2 H20 S6 N6 O22\n1.0\n7.924629 0.000000 0.000000\n-0.386009 9.168038 0.000000\n-0.825675 -4.306471 8.144022\nSm H S N O\n2 20 6 6 22\ndirect\n0.217745 0.381973 0.219964 Sm\n0.782255 0.618027 0.780036 Sm\n0.128419 0.964685 0.326897 H\n0.141373 0.246366 0.625728 H\n0.200972 0.448872 0.745404 H\n0.320482 0.327534 0.884979 H\n0.323283 0.896608 0.323532 H\n0.367216 0.788501 0.785747 H\n0.270926 0.029493 0.144802 H\n0.293674 0.035912 0.974955 H\n0.399881 0.882072 0.672106 H\n0.494859 0.339273 0.995560 H\n0.505141 0.660727 0.004440 H\n0.600119 0.117928 0.327894 H\n0.706326 0.964088 0.025045 H\n0.729074 0.970507 0.855198 H\n0.632784 0.211499 0.214253 H\n0.676717 0.103392 0.676468 H\n0.679518 0.672466 0.115021 H\n0.799028 0.551128 0.254596 H\n0.858627 0.753634 0.374272 H\n0.871581 0.035315 0.673103 H\n0.134747 0.762117 0.619131 S\n0.145100 0.721219 0.104467 S\n0.399068 0.322327 0.584349 S\n0.600932 0.677673 0.415651 S\n0.854900 0.278781 0.895533 S\n0.865253 0.237883 0.380869 S\n0.241598 0.332779 0.696347 N\n0.220709 0.907890 0.253397 N\n0.315016 0.861855 0.740503 N\n0.684984 0.138145 0.259497 N\n0.779291 0.092110 0.746603 N\n0.758402 0.667221 0.303653 N\n0.020891 0.252139 0.959053 O\n0.034937 0.729821 0.730260 O\n0.063540 0.874262 0.564164 O\n0.125399 0.607000 0.175470 O\n0.173068 0.605262 0.483509 O\n0.270597 0.673693 0.988011 O\n0.370203 0.335679 0.991764 O\n0.326070 0.297958 0.421866 O\n0.297850 0.102806 0.095145 O\n0.497273 0.484878 0.681702 O\n0.489458 0.182901 0.570631 O\n0.510542 0.817099 0.429369 O\n0.502727 0.515122 0.318298 O\n0.702150 0.897194 0.904855 O\n0.673930 0.702042 0.578134 O\n0.629797 0.664321 0.008236 O\n0.729403 0.326307 0.011989 O\n0.826932 0.394738 0.516491 O\n0.874601 0.393000 0.824530 O\n0.936460 0.125738 0.435836 O\n0.965063 0.270179 0.269740 O\n0.979109 0.747861 0.040947 O\n",
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],
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"volume": 591.6900720081496,
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"formula_full": "Sm2 H20 S6 N6 O22",
"formula_reduced": "SmH10S3N3O11",
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},
{
"id": "mp-3523",
"created_at": "2022-09-04T14:42:07.827161Z",
"structure_string": "Sr4 Gd8 O16\n1.0\n3.486782 0.000000 0.000000\n0.000000 10.251976 0.000000\n0.000000 0.000000 12.150459\nSr Gd O\n4 8 16\ndirect\n0.750000 0.747348 0.148276 Sr\n0.250000 0.252652 0.851724 Sr\n0.750000 0.247348 0.351724 Sr\n0.250000 0.752652 0.648276 Sr\n0.250000 0.423734 0.111713 Gd\n0.750000 0.576266 0.888287 Gd\n0.250000 0.923734 0.388287 Gd\n0.750000 0.076266 0.611713 Gd\n0.750000 0.079288 0.112051 Gd\n0.250000 0.920712 0.887949 Gd\n0.750000 0.579288 0.387949 Gd\n0.250000 0.420712 0.612051 Gd\n0.250000 0.425682 0.421572 O\n0.750000 0.574318 0.578428 O\n0.250000 0.925682 0.078428 O\n0.750000 0.074318 0.921572 O\n0.250000 0.511897 0.784234 O\n0.750000 0.488103 0.215766 O\n0.250000 0.011897 0.715766 O\n0.750000 0.988103 0.284234 O\n0.250000 0.127998 0.479887 O\n0.750000 0.872002 0.520113 O\n0.250000 0.627998 0.020113 O\n0.750000 0.372002 0.979887 O\n0.750000 0.287252 0.678797 O\n0.250000 0.712748 0.321203 O\n0.750000 0.787252 0.821203 O\n0.250000 0.212748 0.178797 O\n",
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],
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},
{
"id": "mp-1213314",
"created_at": "2022-09-04T14:42:07.829723Z",
"structure_string": "Cu10 As4 H8 O24\n1.0\n5.842087 0.000000 0.000000\n0.000000 4.658217 0.000000\n0.000000 0.820737 17.749088\nCu As H O\n10 4 8 24\ndirect\n0.683184 0.504212 0.252689 Cu\n0.316816 0.495788 0.747311 Cu\n0.183184 0.495788 0.247311 Cu\n0.816816 0.504212 0.752689 Cu\n0.522081 0.455829 0.084600 Cu\n0.477919 0.544171 0.915400 Cu\n0.022081 0.544171 0.415400 Cu\n0.977919 0.455829 0.584600 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.917808 0.978317 0.131017 As\n0.082192 0.021683 0.868983 As\n0.417808 0.021683 0.368983 As\n0.582192 0.978317 0.631017 As\n0.298862 0.874078 0.016462 H\n0.701138 0.125922 0.983538 H\n0.798862 0.125922 0.483538 H\n0.201138 0.874078 0.516462 H\n0.427972 0.857912 0.175182 H\n0.572028 0.142088 0.824818 H\n0.927972 0.142088 0.324818 H\n0.072028 0.857912 0.675182 H\n0.932835 0.746725 0.211832 O\n0.067165 0.253275 0.788168 O\n0.432835 0.253275 0.288168 O\n0.567165 0.746725 0.711832 O\n0.680856 0.183847 0.151375 O\n0.319144 0.816153 0.848625 O\n0.180856 0.816153 0.348625 O\n0.819144 0.183847 0.651375 O\n0.318370 0.665431 0.011921 O\n0.681630 0.334569 0.988079 O\n0.818370 0.334569 0.488079 O\n0.181630 0.665431 0.511921 O\n0.664200 0.835095 0.378780 O\n0.335800 0.164905 0.621220 O\n0.164200 0.164905 0.121220 O\n0.835800 0.835095 0.878780 O\n0.434307 0.645608 0.181883 O\n0.565693 0.354392 0.818117 O\n0.934307 0.354392 0.318117 O\n0.065693 0.645608 0.681883 O\n0.834721 0.785077 0.054582 O\n0.165279 0.214923 0.945418 O\n0.334721 0.214923 0.445418 O\n0.665279 0.785077 0.554582 O\n",
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"formula_full": "Cu10 As4 H8 O24",
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{
"id": "mp-1190582",
"created_at": "2022-09-04T14:42:07.830211Z",
"structure_string": "Mg6 Nb1 H16\n1.0\n0.000000 4.759758 4.759758\n4.759758 0.000000 4.759758\n4.759758 4.759758 0.000000\nMg Nb H\n6 1 16\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Nb\n0.884484 0.884484 0.346547 H\n0.884484 0.346547 0.884484 H\n0.346547 0.884484 0.884484 H\n0.884484 0.884484 0.884484 H\n0.115516 0.115516 0.653453 H\n0.115516 0.653453 0.115516 H\n0.653453 0.115516 0.115516 H\n0.115516 0.115516 0.115516 H\n0.642979 0.642979 0.071063 H\n0.642979 0.071063 0.642979 H\n0.071063 0.642979 0.642979 H\n0.642979 0.642979 0.642979 H\n0.357021 0.357021 0.928937 H\n0.357021 0.928937 0.357021 H\n0.928937 0.357021 0.357021 H\n0.357021 0.357021 0.357021 H\n",
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{
"id": "mp-28798",
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"structure_string": "Nb8 Te24 I2\n1.0\n3.091607 10.890372 0.000000\n-3.091607 10.890372 0.000000\n0.000000 10.436612 16.963964\nNb Te I\n8 24 2\ndirect\n0.602201 0.231862 0.734065 Nb\n0.110569 0.022730 0.134148 Nb\n0.977270 0.889431 0.365852 Nb\n0.768138 0.397799 0.765935 Nb\n0.397799 0.768138 0.265935 Nb\n0.231862 0.602201 0.234065 Nb\n0.022730 0.110569 0.634148 Nb\n0.889431 0.977270 0.865852 Nb\n0.932343 0.940957 0.124504 Te\n0.059043 0.067657 0.375496 Te\n0.359038 0.912750 0.513029 Te\n0.087250 0.640962 0.986971 Te\n0.640962 0.087250 0.486971 Te\n0.912750 0.359038 0.013029 Te\n0.658854 0.392813 0.566816 Te\n0.607187 0.341146 0.933184 Te\n0.341146 0.607187 0.433184 Te\n0.392813 0.658854 0.066816 Te\n0.826752 0.812157 0.829765 Te\n0.187843 0.173248 0.670235 Te\n0.173248 0.187843 0.170235 Te\n0.812157 0.826752 0.329765 Te\n0.462319 0.195836 0.905443 Te\n0.804164 0.537681 0.594557 Te\n0.537681 0.804164 0.094557 Te\n0.195836 0.462319 0.405443 Te\n0.239804 0.425863 0.718149 Te\n0.574137 0.760196 0.781851 Te\n0.760196 0.574137 0.281851 Te\n0.425863 0.239804 0.218149 Te\n0.940957 0.932343 0.624504 Te\n0.067657 0.059043 0.875496 Te\n0.680513 0.319487 0.250000 I\n0.319487 0.680513 0.750000 I\n",
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"formula_full": "Nb8 Te24 I2",
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