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{
"id": "mp-1429979",
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"structure_string": "K2 C2 Br2 N4 O8\n1.0\n6.459186 0.000000 0.000000\n-1.690464 7.276805 0.000000\n-0.986544 -3.666841 6.581519\nK C Br N O\n2 2 2 4 8\ndirect\n0.667806 0.151501 0.721898 K\n0.332194 0.848499 0.278102 K\n0.039163 0.714548 0.749942 C\n0.960837 0.285452 0.250058 C\n0.187589 0.501323 0.791633 Br\n0.812411 0.498677 0.208367 Br\n0.156482 0.848529 0.827112 N\n0.843518 0.151471 0.172888 N\n0.818480 0.733325 0.640596 N\n0.181520 0.266675 0.359404 N\n0.282077 0.109030 0.418427 O\n0.278596 0.410381 0.403408 O\n0.640227 0.178574 0.084523 O\n0.359773 0.821426 0.915477 O\n0.717923 0.890970 0.581573 O\n0.064888 0.988179 0.816570 O\n0.721404 0.589619 0.596592 O\n0.935112 0.011821 0.183430 O\n",
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"spacegroup": 2
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{
"id": "mp-1516403",
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"structure_string": "Na1 Sr1 Sm1 W1 O6\n1.0\n0.000000 -4.228593 -4.228593\n4.228593 -0.000000 -4.228593\n4.228593 -4.228593 -0.000000\nNa Sr Sm W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 W\n0.730275 0.269725 0.269725 O\n0.269725 0.730275 0.730275 O\n0.730275 0.269725 0.730275 O\n0.269725 0.730275 0.269725 O\n0.730275 0.730275 0.269725 O\n0.269725 0.269725 0.730275 O\n",
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"formula_full": "Na1 Sr1 Sm1 W1 O6",
"formula_reduced": "NaSrSmWO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:37:24.626000Z",
"spacegroup": 216
},
{
"id": "mp-39167",
"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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"formula_full": "Ca4 Sc4 Al4 Si4 O24",
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"spacegroup": 14
},
{
"id": "mp-706386",
"created_at": "2022-09-04T14:45:54.206516Z",
"structure_string": "Zr2 H12 O6 F8\n1.0\n5.995484 0.000000 0.000000\n2.633038 6.158031 0.000000\n1.964598 1.031396 7.289668\nZr H O F\n2 12 6 8\ndirect\n0.120495 0.146839 0.781642 Zr\n0.879505 0.853161 0.218358 Zr\n0.803699 0.215348 0.522752 H\n0.196301 0.784652 0.477248 H\n0.769590 0.449264 0.565558 H\n0.230410 0.550736 0.434442 H\n0.642247 0.939611 0.822495 H\n0.357753 0.060389 0.177505 H\n0.612559 0.834852 0.660727 H\n0.387441 0.165148 0.339273 H\n0.243073 0.443695 0.934799 H\n0.756927 0.556305 0.065201 H\n0.490759 0.328044 0.787108 H\n0.509241 0.671956 0.212892 H\n0.783879 0.296912 0.624651 O\n0.216121 0.703088 0.375349 O\n0.524566 0.931305 0.757297 O\n0.475434 0.068695 0.242703 O\n0.323405 0.331410 0.849198 O\n0.676595 0.668590 0.150802 O\n0.861481 0.408642 0.897806 F\n0.138519 0.591358 0.102194 F\n0.831013 0.003151 0.940339 F\n0.168987 0.996849 0.059661 F\n0.165166 0.898184 0.647716 F\n0.834834 0.101816 0.352284 F\n0.246101 0.299043 0.524548 F\n0.753899 0.700957 0.475452 F\n",
"nsites": 28,
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"formula_full": "Zr2 H12 O6 F8",
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},
{
"id": "mp-1517812",
"created_at": "2022-09-04T14:46:20.965484Z",
"structure_string": "Ba1 Sr1 Tb1 V1 O6\n1.0\n0.000000 -4.152684 -4.152684\n4.152684 0.000000 -4.152684\n4.152684 -4.152684 0.000000\nBa Sr Tb V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 V\n0.730290 0.269711 0.269711 O\n0.269711 0.730290 0.730290 O\n0.730290 0.269711 0.730290 O\n0.269711 0.730290 0.269711 O\n0.730290 0.730290 0.269711 O\n0.269711 0.269711 0.730290 O\n",
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],
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"updated_at": "2021-11-28T01:37:25.625000Z",
"spacegroup": 216
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{
"id": "mp-1182737",
"created_at": "2022-09-04T14:47:02.667355Z",
"structure_string": "Cs12 Si6 S36 O126\n1.0\n17.154699 -0.000008 0.000010\n-8.577356 14.856402 0.000002\n0.000007 0.000005 12.008145\nCs Si S O\n12 6 36 126\ndirect\n0.694577 0.005918 0.418893 Cs\n0.311338 0.305425 0.418895 Cs\n0.994086 0.688653 0.418898 Cs\n0.305423 0.994082 0.581107 Cs\n0.688662 0.694575 0.581105 Cs\n0.005914 0.311347 0.581102 Cs\n0.642617 0.993238 0.922586 Cs\n0.350619 0.357385 0.922583 Cs\n0.006764 0.649377 0.922584 Cs\n0.357383 0.006762 0.077414 Cs\n0.649381 0.642615 0.077417 Cs\n0.993236 0.350623 0.077416 Cs\n1.000000 1.000000 0.209157 Si\n0.000000 0.000000 0.790843 Si\n0.333336 0.666668 0.283109 Si\n0.666664 0.333332 0.716891 Si\n0.666664 0.333332 0.281138 Si\n0.333336 0.666668 0.718862 Si\n0.808924 0.942576 0.130770 S\n0.133653 0.191077 0.130770 S\n0.057423 0.866347 0.130772 S\n0.191076 0.057424 0.869230 S\n0.866347 0.808923 0.869230 S\n0.942577 0.133653 0.869228 S\n0.827171 0.850055 0.322487 S\n0.022885 0.172829 0.322488 S\n0.149943 0.977114 0.322487 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"formula_full": "Cs12 Si6 S36 O126",
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{
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