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{
"id": "mp-30523",
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"structure_string": "Ta24 As8\n1.0\n2.569297 7.405022 0.000000\n-2.569297 7.405022 0.000000\n0.000000 0.163849 14.658018\nTa As\n24 8\ndirect\n0.567547 0.566066 0.170726 Ta\n0.433934 0.432453 0.329274 Ta\n0.432453 0.433934 0.829274 Ta\n0.566066 0.567547 0.670726 Ta\n0.063119 0.085441 0.322850 Ta\n0.914559 0.936881 0.177150 Ta\n0.936881 0.914559 0.677150 Ta\n0.085441 0.063119 0.822850 Ta\n0.500343 0.984294 0.202082 Ta\n0.015706 0.499657 0.297918 Ta\n0.499657 0.015706 0.797918 Ta\n0.984294 0.500343 0.702082 Ta\n0.798947 0.298028 0.994189 Ta\n0.701972 0.201053 0.505811 Ta\n0.201053 0.701972 0.005811 Ta\n0.298028 0.798947 0.494189 Ta\n0.905120 0.412196 0.495697 Ta\n0.587804 0.094880 0.004303 Ta\n0.094880 0.587804 0.504303 Ta\n0.412196 0.905120 0.995697 Ta\n0.023847 0.481817 0.909134 Ta\n0.518183 0.976153 0.590866 Ta\n0.976153 0.518183 0.090866 Ta\n0.481817 0.023847 0.409134 Ta\n0.101847 0.099203 0.641035 As\n0.900797 0.898153 0.858965 As\n0.898153 0.900797 0.358965 As\n0.099203 0.101847 0.141035 As\n0.400579 0.372170 0.655865 As\n0.627830 0.599421 0.844135 As\n0.599421 0.627830 0.344135 As\n0.372170 0.400579 0.155865 As\n",
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{
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"created_at": "2022-09-04T14:43:22.776020Z",
"structure_string": "Na8 H4 Ru2 N12 O26\n1.0\n6.524938 4.000989 0.000000\n-6.524938 4.000989 0.000000\n0.000000 1.029929 12.248679\nNa H Ru N O\n8 4 2 12 26\ndirect\n0.722408 0.971990 0.380673 Na\n0.028010 0.277592 0.119327 Na\n0.277592 0.028010 0.619327 Na\n0.971990 0.722408 0.880673 Na\n0.344042 0.169869 0.306375 Na\n0.830131 0.655958 0.193625 Na\n0.655958 0.830131 0.693625 Na\n0.169869 0.344042 0.806375 Na\n0.467517 0.563265 0.312341 H\n0.436735 0.532483 0.187659 H\n0.532483 0.436735 0.687659 H\n0.563265 0.467517 0.812341 H\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.012160 0.758816 0.432314 N\n0.241184 0.987840 0.067686 N\n0.987840 0.241184 0.567686 N\n0.758816 0.012160 0.932314 N\n0.697505 0.347512 0.484732 N\n0.652488 0.302495 0.015268 N\n0.302495 0.652488 0.515268 N\n0.347512 0.697505 0.984732 N\n0.042669 0.423707 0.343879 N\n0.576293 0.957331 0.156121 N\n0.957331 0.576293 0.656121 N\n0.423707 0.042669 0.843879 N\n0.156576 0.923176 0.444063 O\n0.076824 0.843424 0.055937 O\n0.843424 0.076824 0.555937 O\n0.923176 0.156576 0.944063 O\n0.878106 0.757369 0.375536 O\n0.242631 0.121894 0.124464 O\n0.121894 0.242631 0.624464 O\n0.757369 0.878106 0.875536 O\n0.634619 0.246223 0.403403 O\n0.753777 0.365381 0.096597 O\n0.365381 0.753777 0.596597 O\n0.246223 0.634619 0.903403 O\n0.570598 0.344023 0.554660 O\n0.655977 0.429402 0.945340 O\n0.429402 0.655977 0.445340 O\n0.344023 0.570598 0.054660 O\n0.057246 0.529731 0.259503 O\n0.470269 0.942754 0.240497 O\n0.942754 0.470269 0.740497 O\n0.529731 0.057246 0.759503 O\n0.049918 0.263433 0.329431 O\n0.736567 0.950082 0.170569 O\n0.950082 0.736567 0.670569 O\n0.263433 0.049918 0.829431 O\n0.497476 0.502524 0.250000 O\n0.502524 0.497476 0.750000 O\n",
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"formula_full": "Na8 H4 Ru2 N12 O26",
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{
"id": "mp-764566",
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"structure_string": "Li1 Fe8 B8 O24\n1.0\n5.237236 0.000000 0.000000\n0.167868 9.133642 0.000000\n0.025411 0.007390 10.181777\nLi Fe B O\n1 8 8 24\ndirect\n0.817102 0.826126 0.158897 Li\n0.838168 0.163027 0.626900 Fe\n0.828224 0.489886 0.126848 Fe\n0.673057 0.002451 0.874422 Fe\n0.667900 0.334485 0.378531 Fe\n0.326973 0.662830 0.625958 Fe\n0.326673 0.007205 0.129526 Fe\n0.180426 0.842380 0.384255 Fe\n0.169446 0.505130 0.877145 Fe\n0.837693 0.499314 0.628327 B\n0.827253 0.166938 0.126682 B\n0.662383 0.007109 0.367212 B\n0.671050 0.332023 0.877987 B\n0.344921 0.997788 0.632287 B\n0.327270 0.672259 0.122883 B\n0.159639 0.499296 0.377587 B\n0.175494 0.833183 0.881687 B\n0.913598 0.489621 0.321326 O\n0.918028 0.851862 0.889093 O\n0.784864 0.203106 0.829729 O\n0.745713 0.132897 0.433965 O\n0.814551 0.891764 0.341047 O\n0.833006 0.435592 0.934237 O\n0.673898 0.614201 0.631826 O\n0.682688 0.049251 0.079702 O\n0.768522 0.365937 0.570693 O\n0.697534 0.292529 0.173678 O\n0.587872 0.653220 0.130133 O\n0.596913 0.005167 0.678452 O\n0.410165 0.012103 0.319255 O\n0.417582 0.356680 0.872500 O\n0.286631 0.704958 0.830632 O\n0.224841 0.629889 0.437524 O\n0.323261 0.383416 0.372019 O\n0.335677 0.941627 0.930140 O\n0.170718 0.562087 0.074548 O\n0.185177 0.116083 0.636772 O\n0.263533 0.865585 0.583756 O\n0.204991 0.802358 0.161386 O\n0.083000 0.158367 0.125125 O\n0.083026 0.506042 0.682172 O\n",
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"elements": [
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"formula_full": "Li1 Fe8 B8 O24",
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{
"id": "mp-1245667",
"created_at": "2022-09-04T14:41:16.689646Z",
"structure_string": "Sr28 Zr4 N24\n1.0\n12.383521 0.000000 0.000000\n0.000000 6.819593 0.000000\n0.000000 0.000000 13.879552\nSr Zr N\n28 4 24\ndirect\n0.042118 0.724185 0.995430 Sr\n0.457882 0.775815 0.495430 Sr\n0.542118 0.775815 0.004570 Sr\n0.957882 0.724185 0.504570 Sr\n0.957882 0.275815 0.004570 Sr\n0.542118 0.224185 0.504570 Sr\n0.457882 0.224185 0.995430 Sr\n0.042118 0.275815 0.495430 Sr\n0.225756 0.856619 0.628693 Sr\n0.274244 0.643381 0.128693 Sr\n0.725756 0.643381 0.371307 Sr\n0.774244 0.856619 0.871307 Sr\n0.774244 0.143381 0.371307 Sr\n0.725756 0.356619 0.871307 Sr\n0.274244 0.356619 0.628693 Sr\n0.225756 0.143381 0.128693 Sr\n0.278076 0.619300 0.879976 Sr\n0.221924 0.880700 0.379976 Sr\n0.778076 0.880700 0.120024 Sr\n0.721924 0.619300 0.620024 Sr\n0.721924 0.380700 0.120024 Sr\n0.778076 0.119300 0.620024 Sr\n0.221924 0.119300 0.879976 Sr\n0.278076 0.380700 0.379976 Sr\n0.000000 0.485178 0.750000 Sr\n0.500000 0.014822 0.250000 Sr\n0.000000 0.514822 0.250000 Sr\n0.500000 0.985178 0.750000 Sr\n0.000000 0.985219 0.750000 Zr\n0.500000 0.514781 0.250000 Zr\n0.000000 0.014781 0.250000 Zr\n0.500000 0.485219 0.750000 Zr\n0.112378 0.795698 0.817720 N\n0.387622 0.704302 0.317720 N\n0.612378 0.704302 0.182280 N\n0.887622 0.795698 0.682280 N\n0.887622 0.204302 0.182280 N\n0.612378 0.295698 0.682280 N\n0.387622 0.295698 0.817720 N\n0.112378 0.204302 0.317720 N\n0.158552 0.605486 0.502242 N\n0.341448 0.894514 0.002242 N\n0.658552 0.894514 0.497758 N\n0.841448 0.605486 0.997758 N\n0.841448 0.394514 0.497758 N\n0.658552 0.105486 0.997758 N\n0.341448 0.105486 0.502242 N\n0.158552 0.394514 0.002242 N\n0.404329 0.673874 0.666348 N\n0.095671 0.826126 0.166348 N\n0.904329 0.826126 0.333652 N\n0.595671 0.673874 0.833652 N\n0.595671 0.326126 0.333652 N\n0.904329 0.173874 0.833652 N\n0.095671 0.173874 0.666348 N\n0.404329 0.326126 0.166348 N\n",
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"formula_full": "Sr28 Zr4 N24",
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"spacegroup": 60
},
{
"id": "mp-1175161",
"created_at": "2022-09-04T14:47:03.070709Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n4.960710 -0.045747 -1.139365\n-1.859211 14.803594 -0.930315\n-0.253051 -0.152126 5.951579\nLi Mn Co O\n14 8 2 24\ndirect\n0.916726 0.416653 0.833274 Li\n0.416621 0.916697 0.833285 Li\n0.916707 0.416641 0.333349 Li\n0.416655 0.916696 0.333299 Li\n0.166649 0.166672 0.833360 Li\n0.666660 0.666677 0.833352 Li\n0.594232 0.090753 0.177198 Li\n0.094190 0.590754 0.177183 Li\n0.739134 0.242585 0.489491 Li\n0.239111 0.742591 0.489483 Li\n0.575942 0.088476 0.670738 Li\n0.075915 0.588462 0.670741 Li\n0.757422 0.244838 0.995930 Li\n0.257367 0.744854 0.995902 Li\n0.006041 0.003638 0.004256 Mn\n0.505829 0.503503 0.004150 Mn\n0.327364 0.329673 0.662399 Mn\n0.827518 0.829819 0.662547 Mn\n0.002191 0.003317 0.504074 Mn\n0.502067 0.503241 0.504037 Mn\n0.331251 0.330012 0.162639 Mn\n0.831228 0.830096 0.162736 Mn\n0.666647 0.666683 0.333317 Co\n0.166651 0.166668 0.333309 Co\n0.256245 0.033694 0.810568 O\n0.756175 0.533616 0.810572 O\n0.077093 0.299630 0.856126 O\n0.577003 0.799716 0.856103 O\n0.278463 0.046817 0.355253 O\n0.778500 0.546834 0.355286 O\n0.054916 0.286532 0.311425 O\n0.554766 0.786524 0.311395 O\n0.438002 0.213287 0.175071 O\n0.937916 0.713351 0.175109 O\n0.895341 0.120040 0.491632 O\n0.395341 0.620009 0.491567 O\n0.434009 0.212247 0.642699 O\n0.933753 0.712340 0.642501 O\n0.899345 0.121039 0.023969 O\n0.399523 0.620992 0.024145 O\n0.591232 0.376189 0.481785 O\n0.091158 0.876260 0.481783 O\n0.242224 0.457095 0.184853 O\n0.742189 0.957175 0.184859 O\n0.609553 0.378954 0.017625 O\n0.109480 0.879033 0.017607 O\n0.223834 0.454262 0.649017 O\n0.723819 0.954363 0.649001 O\n",
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"formula_full": "Li14 Mn8 Co2 O24",
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{
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"created_at": "2022-09-04T14:45:11.441028Z",
"structure_string": "Ca4 Sc4 Al4 Si4 O24\n1.0\n9.083900 0.000000 0.000000\n0.000000 5.512116 0.000000\n0.000000 2.744159 9.639407\nCa Sc Al Si O\n4 4 4 4 24\ndirect\n0.810554 0.751406 0.996946 Ca\n0.310554 0.248594 0.503054 Ca\n0.689446 0.751406 0.496946 Ca\n0.189446 0.248594 0.003054 Ca\n0.902468 0.260567 0.497717 Sc\n0.402468 0.739433 0.002283 Sc\n0.597532 0.260567 0.997717 Sc\n0.097532 0.739433 0.502283 Sc\n0.590119 0.444758 0.288493 Al\n0.909881 0.444758 0.788493 Al\n0.090119 0.555242 0.211507 Al\n0.409881 0.555242 0.711507 Al\n0.592815 0.059365 0.707062 Si\n0.092815 0.940635 0.792938 Si\n0.907185 0.059365 0.207062 Si\n0.407185 0.940635 0.292938 Si\n0.984262 0.133602 0.850781 O\n0.474514 0.651970 0.354953 O\n0.755683 0.467761 0.370792 O\n0.591037 0.535077 0.106199 O\n0.591732 0.983243 0.878642 O\n0.252099 0.963748 0.863272 O\n0.974514 0.348030 0.145047 O\n0.752099 0.036252 0.636728 O\n0.091732 0.016757 0.621358 O\n0.744317 0.467761 0.870792 O\n0.515738 0.133602 0.350781 O\n0.091037 0.464923 0.393801 O\n0.908963 0.535077 0.606199 O\n0.484262 0.866398 0.649219 O\n0.255683 0.532239 0.129208 O\n0.908268 0.983243 0.378642 O\n0.247901 0.963748 0.363272 O\n0.025486 0.651970 0.854953 O\n0.747901 0.036252 0.136728 O\n0.408268 0.016757 0.121358 O\n0.408963 0.464923 0.893801 O\n0.244317 0.532239 0.629208 O\n0.525486 0.348030 0.645047 O\n0.015738 0.866398 0.149219 O\n",
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{
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