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{
"id": "mp-30466",
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{
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{
"id": "mp-1245879",
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"structure_string": "Mn2 Fe1 N2\n1.0\n3.022307 -0.004553 -0.003237\n-1.515096 2.624224 0.000000\n-0.006410 -0.003701 5.927322\nMn Fe N\n2 1 2\ndirect\n0.666751 0.333375 0.166929 Mn\n0.333249 0.666625 0.833071 Mn\n0.000000 0.000000 0.500000 Fe\n0.664952 0.332475 0.737555 N\n0.335048 0.667525 0.262445 N\n",
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"updated_at": "2021-11-28T01:38:19.435000Z",
"spacegroup": 164
},
{
"id": "mp-1028363",
"created_at": "2022-09-04T14:47:36.360323Z",
"structure_string": "Ce1 Mg14 Sn1\n1.0\n6.399025 0.000000 -0.000000\n-3.199512 5.541717 0.000000\n0.000000 0.000000 10.511815\nCe Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ce\n0.161636 0.830818 0.125000 Mg\n0.177912 0.838955 0.625000 Mg\n0.669182 0.338364 0.125000 Mg\n0.661045 0.322088 0.625000 Mg\n0.669182 0.830818 0.125000 Mg\n0.661045 0.838955 0.625000 Mg\n0.333092 0.166908 0.369916 Mg\n0.333092 0.166908 0.880084 Mg\n0.333092 0.666186 0.369916 Mg\n0.333092 0.666186 0.880084 Mg\n0.833814 0.166908 0.369916 Mg\n0.833814 0.166908 0.880084 Mg\n0.833333 0.666667 0.387920 Mg\n0.833333 0.666667 0.862080 Mg\n0.166667 0.333333 0.125000 Sn\n",
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"spacegroup": 187
},
{
"id": "mp-4883",
"created_at": "2022-09-04T14:47:36.428074Z",
"structure_string": "Ba1 Fe2 P2\n1.0\n-1.915006 1.915006 6.172695\n1.915006 -1.915006 6.172695\n1.915006 1.915006 -6.172695\nBa Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.661456 0.661456 0.000000 P\n0.338544 0.338544 0.000000 P\n",
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"formula_full": "Ba1 Fe2 P2",
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"updated_at": "2021-11-28T01:38:14.446000Z",
"spacegroup": 139
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{
"id": "mp-1100964",
"created_at": "2022-09-04T14:47:36.666748Z",
"structure_string": "U2 P2 H20 C8 N4 O16\n1.0\n6.714690 -0.450057 -2.390796\n-1.131081 8.453978 -1.803801\n1.445332 -0.115142 12.044135\nU P H C N O\n2 2 20 8 4 16\ndirect\n0.156405 0.336156 0.306666 U\n0.844181 0.665453 0.693109 U\n0.304198 0.624740 0.591978 P\n0.696149 0.376428 0.407974 P\n0.988342 0.228396 0.679277 H\n0.136441 0.129312 0.592859 H\n0.195323 0.337427 0.658892 H\n0.198003 0.207431 0.857725 H\n0.454068 0.126773 0.960481 H\n0.297715 0.738443 0.524948 H\n0.327792 0.873028 0.278089 H\n0.660800 0.074540 0.889558 H\n0.449151 0.007334 0.626422 H\n0.493205 0.220850 0.646526 H\n0.505145 0.777054 0.352476 H\n0.550104 0.990800 0.373595 H\n0.338717 0.924635 0.110503 H\n0.671434 0.125862 0.721399 H\n0.701543 0.262388 0.474723 H\n0.801353 0.791476 0.142137 H\n0.546378 0.874189 0.039841 H\n0.805260 0.663257 0.342316 H\n0.863238 0.871662 0.407042 H\n0.011744 0.771907 0.321191 H\n0.137287 0.221755 0.671937 C\n0.520008 0.111502 0.886782 C\n0.252014 0.193579 0.779181 C\n0.515710 0.123650 0.688526 C\n0.483327 0.874870 0.311054 C\n0.747619 0.805567 0.220831 C\n0.479885 0.888310 0.113366 C\n0.862724 0.778483 0.328429 C\n0.028454 0.196949 0.044751 N\n0.425382 0.144867 0.788538 N\n0.574097 0.854275 0.211237 N\n0.971124 0.802413 0.955033 N\n0.093829 0.775949 0.893323 O\n0.150573 0.649562 0.661692 O\n0.023308 0.853006 0.063525 O\n0.171435 0.530136 0.274605 O\n0.139149 0.137783 0.331591 O\n0.254866 0.458338 0.502880 O\n0.209086 0.226436 0.100354 O\n0.510873 0.655993 0.671167 O\n0.489715 0.346094 0.328568 O\n0.790673 0.774089 0.899137 O\n0.745878 0.542778 0.497098 O\n0.862326 0.864140 0.668272 O\n0.828416 0.471563 0.724953 O\n0.975806 0.144734 0.936343 O\n0.850111 0.351273 0.338518 O\n0.906035 0.223967 0.106585 O\n",
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"elements": [
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"formula_full": "U2 P2 H20 C8 N4 O16",
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{
"id": "mp-1022123",
"created_at": "2022-09-04T14:47:36.890068Z",
"structure_string": "Mg6 Cu1 Si1\n1.0\n3.095162 -5.173203 0.000000\n3.095162 5.173203 0.000000\n0.000000 0.000000 4.851185\nMg Cu Si\n6 1 1\ndirect\n0.334807 0.166276 0.500000 Mg\n0.833724 0.665193 0.500000 Mg\n0.158054 0.333680 0.000000 Mg\n0.666320 0.841946 0.000000 Mg\n0.671810 0.328190 0.000000 Mg\n0.169400 0.830600 0.000000 Mg\n0.833364 0.166636 0.500000 Cu\n0.332524 0.667476 0.500000 Si\n",
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"formula_full": "Mg6 Cu1 Si1",
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{
"id": "mp-766525",
"created_at": "2022-09-04T14:47:36.311514Z",
"structure_string": "Li11 Mn12 B12 O36\n1.0\n9.100143 0.000000 0.000000\n-4.522717 -7.912814 0.000000\n-4.512049 2.216294 -10.500495\nLi Mn B O\n11 12 12 36\ndirect\n0.509963 0.924089 0.086037 Li\n0.429147 0.553575 0.332373 Li\n0.175003 0.256440 0.082796 Li\n0.093094 0.887005 0.333877 Li\n0.164263 0.757233 0.583356 Li\n0.841566 0.589977 0.082817 Li\n0.765659 0.221143 0.335466 Li\n0.124312 0.385532 0.831324 Li\n0.790817 0.721070 0.831772 Li\n0.498213 0.423962 0.581816 Li\n0.455681 0.053438 0.830568 Li\n0.188977 0.929893 0.116576 Mn\n0.790285 0.900010 0.372864 Mn\n0.524550 0.598888 0.117926 Mn\n0.139123 0.728360 0.866290 Mn\n0.458218 0.228531 0.367348 Mn\n0.853645 0.413123 0.617841 Mn\n0.127901 0.565709 0.367906 Mn\n0.535859 0.775796 0.614060 Mn\n0.856605 0.263192 0.117127 Mn\n0.473779 0.399113 0.867737 Mn\n0.180037 0.102223 0.618161 Mn\n0.805990 0.066552 0.863542 Mn\n0.461780 0.901927 0.368440 B\n0.191306 0.597594 0.124219 B\n0.864031 0.754132 0.621910 B\n0.858616 0.931538 0.125051 B\n0.800089 0.570713 0.375322 B\n0.525492 0.265132 0.124850 B\n0.480519 0.739413 0.874391 B\n0.207727 0.441384 0.626440 B\n0.143970 0.071301 0.874199 B\n0.133370 0.238560 0.374187 B\n0.810928 0.403855 0.874639 B\n0.523909 0.097882 0.624833 B\n0.334152 0.957198 0.332508 O\n0.255827 0.751060 0.079643 O\n0.411035 0.741422 0.404873 O\n0.276931 0.503852 0.139765 O\n0.709166 0.873418 0.159389 O\n0.913186 0.903252 0.571567 O\n0.700689 0.669891 0.637743 O\n0.069003 0.907399 0.904307 O\n0.673332 0.626294 0.331784 O\n0.985426 0.692306 0.657890 O\n0.942814 0.836589 0.139188 O\n0.374416 0.205480 0.157577 O\n0.590124 0.419331 0.081020 O\n0.982187 0.674833 0.389246 O\n0.743165 0.407268 0.407742 O\n0.949410 0.455959 0.831386 O\n0.417360 0.845051 0.889018 O\n0.646513 0.039127 0.661213 O\n0.610141 0.171350 0.138152 O\n0.039884 0.538823 0.156203 O\n0.254950 0.592822 0.578802 O\n0.050977 0.356282 0.646854 O\n0.405294 0.576504 0.907248 O\n0.633018 0.000917 0.367372 O\n0.619511 0.792913 0.831450 O\n0.086372 0.179308 0.892983 O\n0.006820 0.294217 0.330981 O\n0.326244 0.374482 0.656203 O\n0.922861 0.084618 0.080169 O\n0.315514 0.342621 0.388050 O\n0.075927 0.075821 0.407395 O\n0.280828 0.125941 0.828094 O\n0.750400 0.511672 0.889430 O\n0.572591 0.252198 0.579227 O\n0.356840 0.008020 0.636689 O\n0.734442 0.241185 0.906561 O\n",
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"formula_full": "Li11 Mn12 B12 O36",
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{
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"structure_string": "Ca5 Ta4 O15\n1.0\n2.816362 -4.878082 0.000000\n2.816362 4.878082 0.000000\n0.000000 0.000000 11.502093\nCa Ta O\n5 4 15\ndirect\n0.333333 0.666667 0.959659 Ca\n0.333333 0.666667 0.261270 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.738730 Ca\n0.666667 0.333333 0.040341 Ca\n0.333333 0.666667 0.603630 Ta\n0.000000 0.000000 0.815094 Ta\n0.000000 0.000000 0.184906 Ta\n0.666667 0.333333 0.396370 Ta\n0.171809 0.828191 0.107780 O\n0.000000 0.500000 0.500000 O\n0.162303 0.837697 0.692593 O\n0.162303 0.324606 0.692593 O\n0.171809 0.343617 0.107780 O\n0.343617 0.171809 0.892220 O\n0.675394 0.837697 0.692593 O\n0.500000 0.500000 0.500000 O\n0.324606 0.162303 0.307407 O\n0.656383 0.828191 0.107780 O\n0.500000 0.000000 0.500000 O\n0.837697 0.675394 0.307407 O\n0.828191 0.656383 0.892220 O\n0.837697 0.162303 0.307407 O\n0.828191 0.171809 0.892220 O\n",
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{
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"formula_full": "Nd4 Cu4 O12",
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{
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{
"id": "mp-1175410",
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"structure_string": "Li9 Co7 O16\n1.0\n5.070270 0.000000 0.000000\n-1.651366 5.598003 0.000000\n-1.725527 -0.551697 9.774994\nLi Co O\n9 7 16\ndirect\n0.498389 0.874464 0.625034 Li\n0.503493 0.375852 0.626434 Li\n0.501611 0.125536 0.374966 Li\n0.496507 0.624148 0.373566 Li\n0.492711 0.373221 0.120387 Li\n0.503186 0.876727 0.120681 Li\n0.507289 0.626779 0.879613 Li\n0.496814 0.123273 0.879319 Li\n0.000000 0.000000 0.000000 Li\n0.998158 0.752807 0.754130 Co\n0.000000 0.500000 0.000000 Co\n0.004220 0.248737 0.758970 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.001842 0.247193 0.245870 Co\n0.995780 0.751263 0.241030 Co\n0.212903 0.565530 0.681535 O\n0.229678 0.045400 0.691254 O\n0.227573 0.807149 0.435511 O\n0.226143 0.307120 0.427592 O\n0.227214 0.072522 0.196388 O\n0.224531 0.541567 0.182920 O\n0.228038 0.320206 0.932493 O\n0.219374 0.788110 0.926596 O\n0.772427 0.192851 0.564489 O\n0.773857 0.692880 0.572408 O\n0.787097 0.434470 0.318465 O\n0.770322 0.954600 0.308746 O\n0.771962 0.679794 0.067507 O\n0.780626 0.211890 0.073404 O\n0.772786 0.927478 0.803612 O\n0.775469 0.458433 0.817080 O\n",
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"formula_full": "Li9 Co7 O16",
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"updated_at": "2021-11-28T01:38:16.430000Z",
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}
]
}