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{
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{
"id": "mp-771487",
"created_at": "2022-09-04T14:46:20.853253Z",
"structure_string": "Na10 Mn4 P2 C8 O32\n1.0\n0.000000 7.075286 7.193400\n7.010207 0.000000 7.193400\n7.010207 7.075286 0.000000\nNa Mn P C O\n10 4 2 8 32\ndirect\n0.794819 0.794819 0.205181 Na\n0.791007 0.208993 0.791007 Na\n0.791365 0.208635 0.208635 Na\n0.542815 0.542815 0.957185 Na\n0.208635 0.791365 0.791365 Na\n0.539718 0.960282 0.960282 Na\n0.205181 0.205181 0.794819 Na\n0.208993 0.791007 0.208993 Na\n0.960282 0.539718 0.539718 Na\n0.957185 0.957185 0.542815 Na\n0.370327 0.376566 0.875836 Mn\n0.377271 0.875836 0.376566 Mn\n0.376566 0.370327 0.377271 Mn\n0.875836 0.377271 0.370327 Mn\n0.750000 0.750000 0.750000 P\n0.000000 0.000000 0.000000 P\n0.591103 0.593189 0.587798 C\n0.523536 0.163643 0.152925 C\n0.152925 0.159895 0.523536 C\n0.163643 0.523536 0.159895 C\n0.587798 0.227911 0.591103 C\n0.593189 0.591103 0.227911 C\n0.227911 0.587798 0.593189 C\n0.159895 0.152925 0.163643 C\n0.734708 0.476487 0.566300 O\n0.529562 0.023152 0.174729 O\n0.567766 0.726349 0.467150 O\n0.521519 0.279998 0.012156 O\n0.479014 0.573160 0.728673 O\n0.812074 0.561025 0.808371 O\n0.818529 0.808371 0.561025 O\n0.526258 0.190165 0.266112 O\n0.190165 0.526258 0.017465 O\n0.266112 0.017465 0.526258 O\n0.808371 0.818529 0.812074 O\n0.561025 0.812074 0.818529 O\n0.573160 0.479014 0.219153 O\n0.728673 0.219153 0.479014 O\n0.279998 0.521519 0.186327 O\n0.012156 0.186327 0.521519 O\n0.726349 0.567766 0.238735 O\n0.467150 0.238735 0.567766 O\n0.174729 0.272556 0.529562 O\n0.023152 0.529562 0.272556 O\n0.190000 0.933860 0.938691 O\n0.937449 0.938691 0.933860 O\n0.476487 0.734708 0.222505 O\n0.566300 0.222505 0.734708 O\n0.222505 0.566300 0.476487 O\n0.938691 0.937449 0.190000 O\n0.933860 0.190000 0.937449 O\n0.272556 0.174729 0.023152 O\n0.238735 0.467150 0.726349 O\n0.186327 0.012156 0.279998 O\n0.219153 0.728673 0.573160 O\n0.017465 0.266112 0.190165 O\n",
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"formula_full": "Na10 Mn4 P2 C8 O32",
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"spacegroup": 22
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{
"id": "mp-1215026",
"created_at": "2022-09-04T14:46:20.759278Z",
"structure_string": "Ba4 P12 H4 N4 O36\n1.0\n5.712481 0.000000 -4.928186\n-4.538614 0.000000 -12.018026\n0.000000 12.388556 0.000000\nBa P H N O\n4 12 4 4 36\ndirect\n0.732803 0.631026 0.573763 Ba\n0.267197 0.368974 0.426237 Ba\n0.767197 0.868974 0.073763 Ba\n0.232803 0.131026 0.926237 Ba\n0.734820 0.574316 0.150935 P\n0.265180 0.425684 0.849065 P\n0.765180 0.925684 0.650935 P\n0.234820 0.074316 0.349065 P\n0.509050 0.855429 0.335297 P\n0.490950 0.144571 0.664703 P\n0.990950 0.644571 0.835297 P\n0.009050 0.355429 0.164703 P\n0.241270 0.930662 0.160155 P\n0.758730 0.069338 0.839845 P\n0.258730 0.569338 0.660155 P\n0.741270 0.430662 0.339845 P\n0.975045 0.713647 0.370131 H\n0.024955 0.286353 0.629869 H\n0.524955 0.786353 0.870131 H\n0.475045 0.213647 0.129869 H\n0.110949 0.908745 0.596084 N\n0.889051 0.091255 0.403916 N\n0.389051 0.591255 0.096084 N\n0.610949 0.408745 0.903916 N\n0.647426 0.896562 0.279164 O\n0.352574 0.103438 0.720836 O\n0.852574 0.603438 0.779164 O\n0.147426 0.396562 0.220836 O\n0.358645 0.961947 0.403495 O\n0.641355 0.038053 0.596505 O\n0.141355 0.538053 0.903495 O\n0.858645 0.461947 0.096505 O\n0.367560 0.955107 0.076784 O\n0.632440 0.044893 0.923216 O\n0.132440 0.544893 0.576784 O\n0.867560 0.455107 0.423216 O\n0.663564 0.542392 0.261162 O\n0.336436 0.457608 0.738838 O\n0.836436 0.957608 0.761162 O\n0.163564 0.042392 0.238838 O\n0.360415 0.837557 0.245488 O\n0.639585 0.162443 0.754512 O\n0.139585 0.662443 0.745488 O\n0.860415 0.337557 0.254512 O\n0.073490 0.904605 0.124507 O\n0.926510 0.095395 0.875493 O\n0.426510 0.595395 0.624507 O\n0.573490 0.404605 0.375493 O\n0.564142 0.759432 0.409760 O\n0.435858 0.240568 0.590240 O\n0.935858 0.740568 0.909760 O\n0.064142 0.259432 0.090240 O\n0.542264 0.618643 0.076349 O\n0.457736 0.381357 0.923651 O\n0.957736 0.881357 0.576349 O\n0.042264 0.118643 0.423651 O\n0.816836 0.663181 0.153459 O\n0.183164 0.336819 0.846541 O\n0.683164 0.836819 0.653459 O\n0.316836 0.163181 0.346541 O\n",
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"formula_full": "Ba4 P12 H4 N4 O36",
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"spacegroup": 14
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{
"id": "mp-1195560",
"created_at": "2022-09-04T14:46:20.767915Z",
"structure_string": "C24 F40\n1.0\n7.312221 0.000000 0.000000\n0.000000 9.769898 0.000000\n0.000000 4.933809 11.058046\nC F\n24 40\ndirect\n0.181883 0.760900 0.770227 C\n0.318117 0.760900 0.270227 C\n0.818117 0.239100 0.229773 C\n0.681883 0.239100 0.729773 C\n0.011219 0.728900 0.708035 C\n0.488781 0.728900 0.208035 C\n0.988781 0.271100 0.291965 C\n0.511219 0.271100 0.791965 C\n0.857860 0.647567 0.801545 C\n0.642140 0.647567 0.301545 C\n0.142140 0.352433 0.198455 C\n0.357860 0.352433 0.698455 C\n0.832607 0.713009 0.893526 C\n0.667393 0.713009 0.393526 C\n0.167393 0.286991 0.106474 C\n0.332607 0.286991 0.606474 C\n0.131649 0.853024 0.845472 C\n0.368351 0.853024 0.345472 C\n0.868351 0.146976 0.154528 C\n0.631649 0.146976 0.654528 C\n0.954744 0.802513 0.913926 C\n0.545256 0.802513 0.413926 C\n0.045256 0.197487 0.086074 C\n0.454744 0.197487 0.586074 C\n0.676153 0.674326 0.955704 F\n0.823847 0.674326 0.455704 F\n0.323847 0.325674 0.044296 F\n0.176153 0.325674 0.544296 F\n0.901170 0.496902 0.859164 F\n0.598830 0.496902 0.359164 F\n0.098830 0.503098 0.140836 F\n0.401170 0.503098 0.640836 F\n0.697547 0.656622 0.740689 F\n0.802453 0.656622 0.240689 F\n0.302453 0.343378 0.259311 F\n0.197547 0.343378 0.759311 F\n0.058662 0.643946 0.647507 F\n0.441338 0.643946 0.147507 F\n0.941338 0.356054 0.352493 F\n0.558662 0.356054 0.852493 F\n0.944807 0.863127 0.626148 F\n0.555193 0.863127 0.126148 F\n0.055193 0.136873 0.373852 F\n0.444807 0.136873 0.873852 F\n0.924312 0.857012 0.997163 F\n0.575688 0.857012 0.497163 F\n0.075688 0.142988 0.002837 F\n0.424312 0.142988 0.502837 F\n0.119876 0.003060 0.768005 F\n0.380124 0.003060 0.268005 F\n0.880124 0.996940 0.231995 F\n0.619876 0.996940 0.731995 F\n0.271790 0.841161 0.923903 F\n0.228210 0.841161 0.423903 F\n0.728210 0.158839 0.076097 F\n0.771790 0.158839 0.576097 F\n0.256373 0.626900 0.846659 F\n0.243627 0.626900 0.346659 F\n0.743627 0.373100 0.153341 F\n0.756373 0.373100 0.653341 F\n0.309317 0.836578 0.685294 F\n0.190683 0.836578 0.185294 F\n0.690683 0.163422 0.314706 F\n0.809317 0.163422 0.814706 F\n",
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{
"id": "mp-8957",
"created_at": "2022-09-04T14:46:20.778635Z",
"structure_string": "Na10 Ta2 O10\n1.0\n5.178801 3.176509 0.000000\n-5.178801 3.176509 0.000000\n0.000000 2.890715 9.705451\nNa Ta O\n10 2 10\ndirect\n0.322166 0.005154 0.922373 Na\n0.994846 0.677834 0.577627 Na\n0.444037 0.215325 0.550231 Na\n0.784675 0.555963 0.949769 Na\n0.555963 0.784675 0.449769 Na\n0.215325 0.444037 0.050231 Na\n0.668585 0.331415 0.250000 Na\n0.331415 0.668585 0.750000 Na\n0.005154 0.322166 0.422373 Na\n0.677834 0.994846 0.077627 Na\n0.092790 0.907210 0.250000 Ta\n0.907210 0.092790 0.750000 Ta\n0.908186 0.091814 0.250000 O\n0.091814 0.908186 0.750000 O\n0.303803 0.960190 0.380862 O\n0.039810 0.696197 0.119138 O\n0.401976 0.188284 0.105168 O\n0.811716 0.598024 0.394832 O\n0.598024 0.811716 0.894832 O\n0.188284 0.401976 0.605168 O\n0.696197 0.039810 0.619138 O\n0.960190 0.303803 0.880862 O\n",
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{
"id": "mp-1228433",
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"structure_string": "Ba2 Na1 Sn6 As6\n1.0\n6.331293 3.660300 0.000000\n-6.331293 3.660300 0.000000\n0.000000 2.452742 9.507377\nBa Na Sn As\n2 1 6 6\ndirect\n0.666582 0.333418 0.000000 Ba\n0.333418 0.666582 0.000000 Ba\n0.000000 0.000000 0.000000 Na\n0.540491 0.875158 0.374285 Sn\n0.209947 0.209947 0.373665 Sn\n0.875158 0.540491 0.374285 Sn\n0.459509 0.124842 0.625715 Sn\n0.124842 0.459509 0.625715 Sn\n0.790053 0.790053 0.626335 Sn\n0.405384 0.405384 0.769404 As\n0.076690 0.748378 0.769801 As\n0.748378 0.076690 0.769801 As\n0.594616 0.594616 0.230596 As\n0.251622 0.923310 0.230199 As\n0.923310 0.251622 0.230199 As\n",
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{
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"structure_string": "Mg4 B8 Ru10\n1.0\n2.963244 0.000000 0.000000\n0.000000 8.437039 0.000000\n0.000000 0.000000 10.065793\nMg B Ru\n4 8 10\ndirect\n0.500000 0.648702 0.815452 Mg\n0.500000 0.351298 0.184548 Mg\n0.500000 0.148702 0.684548 Mg\n0.500000 0.851298 0.315452 Mg\n0.500000 0.852130 0.602533 B\n0.500000 0.147870 0.397467 B\n0.500000 0.352130 0.897467 B\n0.500000 0.647870 0.102533 B\n0.500000 0.959816 0.911275 B\n0.500000 0.040184 0.088725 B\n0.500000 0.459816 0.588725 B\n0.500000 0.540184 0.411275 B\n0.000000 0.395592 0.738117 Ru\n0.000000 0.604408 0.261883 Ru\n0.000000 0.895592 0.761883 Ru\n0.000000 0.104408 0.238117 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.655895 0.547961 Ru\n0.000000 0.344105 0.452039 Ru\n0.000000 0.155895 0.952039 Ru\n0.000000 0.844105 0.047961 Ru\n",
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{
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