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{
"id": "jvasp-22056",
"created_at": "2022-09-04T14:37:35.627387Z",
"updated_at": "2022-09-04T14:37:35.627411Z",
"structure_string": "Na2 Ca6 Ir2 O12\n1.0\n6.520357 0.003193 -0.051706\n-0.052142 6.520148 -0.051706\n0.003166 0.003193 6.520561\nNa Ca Ir O\n2 6 2 12\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.606248 0.893752 0.249999 Ca\n0.250001 0.606247 0.893752 Ca\n0.893753 0.249999 0.606247 Ca\n0.393753 0.106247 0.750000 Ca\n0.750001 0.393752 0.106247 Ca\n0.106248 0.750000 0.393752 Ca\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500000 0.499999 Ir\n0.929579 0.707263 0.059110 O\n0.207263 0.429579 0.559111 O\n0.440890 0.792737 0.570420 O\n0.570422 0.440889 0.792736 O\n0.792738 0.570421 0.440888 O\n0.292738 0.940889 0.070420 O\n0.070422 0.292737 0.940889 O\n0.940890 0.070421 0.292736 O\n0.559112 0.207263 0.429578 O\n0.429579 0.559111 0.207262 O\n0.059112 0.929579 0.707262 O\n0.707264 0.059110 0.929578 O\n",
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{
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"structure_string": "K2 Te6 O12 F2\n1.0\n7.106238 -0.059886 0.785294\n0.696726 7.072254 0.785295\n-0.066638 -0.059887 7.149186\nK Te O F\n2 6 12 2\ndirect\n0.849959 0.849957 0.849958 K\n0.150042 0.150042 0.150042 K\n0.354354 0.126227 0.638244 Te\n0.873773 0.361755 0.645646 Te\n0.361756 0.645645 0.873772 Te\n0.126228 0.638244 0.354354 Te\n0.638245 0.354354 0.126227 Te\n0.645647 0.873772 0.361755 Te\n0.344803 0.951854 0.450238 O\n0.144253 0.656190 0.059216 O\n0.059216 0.144252 0.656191 O\n0.656191 0.059216 0.144252 O\n0.951856 0.450238 0.344802 O\n0.940785 0.855746 0.343809 O\n0.450239 0.344802 0.951855 O\n0.343810 0.940783 0.855747 O\n0.549762 0.655197 0.048144 O\n0.655197 0.048144 0.549761 O\n0.048145 0.549760 0.655197 O\n0.855748 0.343809 0.940784 O\n0.348915 0.348914 0.348914 F\n0.651086 0.651084 0.651085 F\n",
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{
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"created_at": "2022-09-04T14:37:50.006120Z",
"updated_at": "2022-09-04T14:37:50.006140Z",
"structure_string": "Pr6 Mn2 Al2 S14\n1.0\n0.000000 9.877131 0.000053\n6.175422 0.000000 0.000000\n0.000000 -4.938435 -8.553943\nPr Mn Al S\n6 2 2 14\ndirect\n0.840201 0.774339 0.215116 Pr\n0.159798 0.274339 0.784884 Pr\n0.374911 0.774334 0.159797 Pr\n0.784887 0.774334 0.625091 Pr\n0.215112 0.274334 0.374909 Pr\n0.625088 0.274335 0.840203 Pr\n0.000000 0.942270 0.000000 Mn\n-0.000000 0.442270 -0.000000 Mn\n0.666668 0.349044 0.333335 Al\n0.333332 0.849044 0.666665 Al\n0.909269 0.488334 0.474367 S\n0.525633 0.488340 0.434898 S\n0.434897 0.988333 0.909265 S\n0.565103 0.488333 0.090735 S\n0.783297 0.687954 0.906254 S\n0.122952 0.687953 0.216701 S\n0.333335 0.489812 0.666662 S\n0.216702 0.187954 0.093746 S\n0.093749 0.687952 0.877047 S\n0.906251 0.187952 0.122953 S\n0.090730 0.988334 0.525633 S\n0.666664 0.989812 0.333338 S\n0.877048 0.187953 0.783299 S\n0.474367 0.988340 0.565102 S\n",
"nsites": 24,
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{
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"created_at": "2022-09-04T14:37:34.115931Z",
"updated_at": "2022-09-04T14:37:34.115973Z",
"structure_string": "Ca2 Ta2 Al2 O10\n1.0\n5.455377 0.006063 -1.377767\n-1.995926 5.077150 -1.377767\n-0.005526 -0.008119 7.408524\nCa Ta Al O\n2 2 2 10\ndirect\n0.332820 0.667178 0.749999 Ca\n0.667178 0.332821 0.249999 Ca\n0.000000 0.000000 0.000000 Ta\n-0.000000 -0.000000 0.500000 Ta\n0.683440 0.316559 0.749999 Al\n0.316559 0.683440 0.249999 Al\n0.075383 0.924616 0.749999 O\n0.924616 0.075384 0.249999 O\n0.097831 0.691102 0.386391 O\n0.308897 0.902168 0.113608 O\n0.902168 0.308897 0.613607 O\n0.691101 0.097831 0.886391 O\n0.367876 0.251525 0.585034 O\n0.748473 0.632123 0.914964 O\n0.632122 0.748474 0.414965 O\n0.251525 0.367877 0.085034 O\n",
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{
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"created_at": "2022-09-04T14:37:49.952326Z",
"updated_at": "2022-09-04T14:37:49.952346Z",
"structure_string": "K8 Na4 Tl4 O12\n1.0\n0.000000 6.327860 0.054475\n6.983885 0.000000 0.000000\n0.000000 -1.175811 -12.038392\nK Na Tl O\n8 4 4 12\ndirect\n0.573843 0.165865 0.141121 K\n0.929194 0.643202 0.860046 K\n0.070806 0.143201 0.639953 K\n0.573843 0.334135 0.641121 K\n0.426157 0.665865 0.358878 K\n0.070806 0.356799 0.139953 K\n0.426157 0.834136 0.858878 K\n0.929194 0.856799 0.360046 K\n0.361628 0.125156 0.412402 Na\n0.638371 0.874845 0.587597 Na\n0.638371 0.625156 0.087597 Na\n0.361629 0.374845 0.912402 Na\n0.857068 0.368565 0.406354 Tl\n0.857068 0.131435 0.906354 Tl\n0.142932 0.868565 0.093646 Tl\n0.142932 0.631436 0.593645 Tl\n0.242631 0.492061 0.746075 O\n0.722755 0.115726 0.468401 O\n0.722755 0.384275 0.968401 O\n0.277245 0.615726 0.031599 O\n0.794207 0.900111 0.035865 O\n0.205793 0.099890 0.964134 O\n0.205793 0.400110 0.464134 O\n0.242631 0.007939 0.246075 O\n0.757369 0.507939 0.253925 O\n0.757369 0.992062 0.753924 O\n0.277245 0.884275 0.531599 O\n0.794207 0.599890 0.535865 O\n",
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"formula_full": "K8 Na4 Tl4 O12",
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{
"id": "jvasp-26382",
"created_at": "2022-09-04T14:37:49.934932Z",
"updated_at": "2022-09-04T14:37:49.934950Z",
"structure_string": "Na1 Sc1 As2 O7\n1.0\n4.834176 0.005033 -0.631334\n-0.900707 5.416255 -1.246192\n0.002922 -0.001724 5.630259\nNa Sc As O\n1 1 2 7\ndirect\n0.500003 0.245238 0.754754 Na\n0.500001 0.631791 0.368210 Sc\n0.085402 0.747057 0.821819 As\n0.914598 0.178179 0.252945 As\n0.247243 0.623475 0.038738 O\n0.777806 0.571107 0.669953 O\n0.304952 0.838816 0.635989 O\n0.752752 0.961268 0.376529 O\n-0.000001 0.042231 0.957770 O\n0.695046 0.364013 0.161181 O\n0.222192 0.330048 0.428895 O\n",
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{
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"created_at": "2022-09-04T14:37:36.119649Z",
"updated_at": "2022-09-04T14:37:36.119676Z",
"structure_string": "Ca4 Sb2 Mo2 O12\n1.0\n0.000000 5.559729 -0.035266\n8.036466 0.000000 0.000000\n0.000000 0.026688 -5.819631\nCa Sb Mo O\n4 2 2 12\ndirect\n0.482009 0.250000 0.565390 Ca\n0.517991 0.750000 0.434611 Ca\n0.011405 0.250000 0.057845 Ca\n0.988596 0.750000 0.942155 Ca\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.329967 0.438922 0.288769 O\n0.599893 0.250000 0.962587 O\n0.670033 0.938922 0.711232 O\n0.116466 0.750000 0.545839 O\n0.206474 0.059747 0.820194 O\n0.793527 0.940254 0.179807 O\n0.206474 0.440254 0.820194 O\n0.329967 0.061078 0.288769 O\n0.883535 0.250000 0.454161 O\n0.670033 0.561079 0.711232 O\n0.793527 0.559747 0.179807 O\n0.400108 0.750000 0.037414 O\n",
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{
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"created_at": "2022-09-04T14:37:49.918319Z",
"updated_at": "2022-09-04T14:37:49.918345Z",
"structure_string": "Te4 Mo1 W3 S4\n1.0\n3.381728 -0.000000 -0.000000\n-1.690865 2.928460 -0.000083\n-0.000000 -0.001120 39.303377\nTe Mo W S\n4 1 3 4\ndirect\n0.333368 0.666741 0.706927 Te\n0.666641 0.333282 0.419895 Te\n0.666683 0.333367 0.516368 Te\n0.333326 0.666654 0.610933 Te\n0.666635 0.333270 0.281773 Mo\n0.333317 0.666636 0.093975 W\n0.333348 0.666696 0.468232 W\n0.666666 0.333333 0.659085 W\n0.333373 0.666749 0.320220 S\n0.666630 0.333259 0.055576 S\n0.666669 0.333335 0.132488 S\n0.333337 0.666678 0.243277 S\n",
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{
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"created_at": "2022-09-04T14:37:49.898005Z",
"updated_at": "2022-09-04T14:37:49.898024Z",
"structure_string": "Te2 W4 Se4 S2\n1.0\n3.347244 -0.000001 -0.000000\n-1.673623 2.898809 -0.000020\n-0.000003 -0.000341 35.012203\nTe W Se S\n2 4 4 2\ndirect\n0.333357 0.666712 0.712803 Te\n0.333342 0.666678 0.603625 Te\n0.333316 0.666631 0.095066 W\n0.333321 0.666642 0.466052 W\n0.666683 0.333364 0.283552 W\n0.666684 0.333364 0.658265 W\n0.333319 0.666624 0.331386 Se\n0.666601 0.333196 0.047274 Se\n0.666699 0.333405 0.142909 Se\n0.333372 0.666758 0.235709 Se\n0.666662 0.333325 0.422502 S\n0.666651 0.333304 0.509604 S\n",
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{
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"structure_string": "Ba2 Mg1 B6 O12\n1.0\n3.562082 2.056467 5.527140\n-3.562000 2.056470 5.527084\n0.000044 -4.113222 5.527218\nBa Mg B O\n2 1 6 12\ndirect\n0.212853 0.212854 0.212851 Ba\n0.787147 0.787147 0.787147 Ba\n0.000000 0.000000 0.000000 Mg\n0.363369 0.644964 0.756828 B\n0.644963 0.756830 0.363368 B\n0.756828 0.363371 0.644963 B\n0.636631 0.355037 0.243171 B\n0.355036 0.243171 0.636631 B\n0.243171 0.636630 0.355036 B\n0.464647 0.572827 0.196407 O\n0.803591 0.535353 0.427173 O\n0.427171 0.803592 0.535350 O\n0.535353 0.427174 0.803592 O\n0.312082 0.084251 0.841886 O\n0.158115 0.687915 0.915749 O\n0.084250 0.841886 0.312082 O\n0.687917 0.915750 0.158113 O\n0.572828 0.196409 0.464649 O\n0.915750 0.158115 0.687917 O\n0.841885 0.312086 0.084250 O\n0.196409 0.464648 0.572826 O\n",
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{
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"created_at": "2022-09-04T14:37:49.871772Z",
"updated_at": "2022-09-04T14:37:49.871792Z",
"structure_string": "Mg3 Al9 Fe1 Si5\n1.0\n3.330756 -5.769039 0.000000\n3.330756 5.769039 0.000000\n0.000000 0.000000 7.913258\nMg Al Fe Si\n3 9 1 5\ndirect\n0.000000 0.584628 0.500000 Mg\n0.584628 0.000000 0.500000 Mg\n0.415373 0.415373 0.500000 Mg\n0.750002 0.750002 0.777422 Al\n0.750002 0.750002 0.222578 Al\n0.249999 0.000000 0.777422 Al\n0.249999 0.000000 0.222578 Al\n0.000000 0.249999 0.777422 Al\n0.000000 0.249999 0.222578 Al\n0.625764 0.000000 0.000000 Al\n0.374237 0.374237 0.000000 Al\n0.000000 0.625764 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.333334 0.666668 0.240958 Si\n0.666668 0.333334 0.759042 Si\n0.666668 0.333334 0.240958 Si\n0.000000 0.000000 0.500000 Si\n0.333334 0.666668 0.759042 Si\n",
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{
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],
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]
}