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{
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{
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{
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{
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"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.697961 -2.940954 0.000000\n1.697961 2.940954 0.000000\n0.000000 0.000000 38.856834\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.000000 0.000000 0.330445 Te\n0.333333 0.666667 0.045550 Te\n0.333333 0.666667 0.142005 Te\n0.000000 0.000000 0.233447 Te\n0.000000 0.000000 0.093758 Mo\n0.000000 0.000000 0.469661 W\n0.333333 0.666667 0.281946 W\n0.333333 0.666667 0.657537 W\n0.000000 0.000000 0.700186 Se\n0.000000 0.000000 0.614890 Se\n0.333333 0.666667 0.430854 S\n0.333333 0.666667 0.508469 S\n",
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"formula_full": "Te4 Mo1 W3 Se2 S2",
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{
"id": "mp-778303",
"created_at": "2022-09-04T14:47:06.579639Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n8.661833 0.000000 0.000000\n-4.237099 7.615522 0.000000\n-4.179530 -2.587870 7.212434\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.371516 0.111411 0.704705 Li\n0.611646 0.648834 0.676365 Li\n0.371508 0.260908 0.204979 Li\n0.015686 0.637265 0.745412 Li\n0.016314 0.379507 0.247506 Li\n0.614963 0.963966 0.176377 Li\n0.789520 0.146958 0.856375 Mn\n0.196461 0.351063 0.638423 Mn\n0.791762 0.643957 0.360009 V\n0.204328 0.847209 0.142376 V\n0.719806 0.470508 0.954735 P\n0.717732 0.249496 0.454773 P\n0.001324 0.048100 0.258102 P\n0.278732 0.750776 0.539562 P\n0.003367 0.954698 0.756127 P\n0.277422 0.525272 0.039207 P\n0.682123 0.273707 0.918213 O\n0.905218 0.620107 0.943726 O\n0.764354 0.250014 0.645452 O\n0.902587 0.282376 0.439107 O\n0.517029 0.448386 0.793572 O\n0.833146 0.075065 0.108274 O\n0.516102 0.065801 0.292784 O\n0.872970 0.992613 0.807094 O\n0.128939 0.104206 0.696672 O\n0.676046 0.403542 0.415329 O\n0.829637 0.757430 0.601371 O\n0.215709 0.477813 0.837325 O\n0.764667 0.516932 0.146651 O\n0.178911 0.235962 0.428335 O\n0.333875 0.607130 0.582939 O\n0.877574 0.885064 0.308550 O\n0.129973 0.022284 0.197101 O\n0.465295 0.948362 0.682844 O\n0.171676 0.938805 0.921308 O\n0.468499 0.522375 0.181606 O\n0.086986 0.705925 0.550399 O\n0.215147 0.738442 0.339071 O\n0.090223 0.381788 0.052489 O\n0.329228 0.724941 0.083667 O\n",
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{
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"structure_string": "Ba1 Ca1 Mg6 O8\n1.0\n8.987734 0.000000 0.000000\n0.000000 4.735258 0.000000\n0.000000 0.000000 4.735258\nBa Ca Mg O\n1 1 6 8\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.273439 0.000000 0.500000 Mg\n0.726561 -0.000000 0.500000 Mg\n0.273439 0.500000 0.000000 Mg\n0.726561 0.500000 -0.000000 Mg\n0.268472 0.000000 -0.000000 O\n0.731528 -0.000000 0.000000 O\n0.283797 0.500000 0.500000 O\n0.716203 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Mg14 Bi1 C1\n1.0\n6.322671 0.000000 0.000000\n-3.161335 5.475593 -0.000000\n-0.000000 0.000000 10.068336\nMg Bi C\n14 1 1\ndirect\n0.154697 0.827348 0.125000 Mg\n0.170457 0.835228 0.625000 Mg\n0.672652 0.345303 0.125000 Mg\n0.664772 0.329543 0.625000 Mg\n0.672652 0.827348 0.125000 Mg\n0.664772 0.835228 0.625000 Mg\n0.328895 0.171105 0.350476 Mg\n0.328895 0.171105 0.899524 Mg\n0.328895 0.657791 0.350476 Mg\n0.328895 0.657791 0.899524 Mg\n0.842209 0.171105 0.350476 Mg\n0.842209 0.171105 0.899524 Mg\n0.833333 0.666667 0.375550 Mg\n0.833333 0.666667 0.874450 Mg\n0.166667 0.333333 0.625000 Bi\n0.166667 0.333333 0.125000 C\n",
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{
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{
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