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{
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{
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},
{
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"structure_string": "Sr1 Mg6 Si1 O8\n1.0\n8.884280 0.000000 -0.000000\n0.000000 4.520430 0.000000\n0.000000 0.000000 4.520430\nSr Mg Si O\n1 6 1 8\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.265346 0.000000 0.500000 Mg\n0.734654 -0.000000 0.500000 Mg\n0.265346 0.500000 0.000000 Mg\n0.734654 0.500000 -0.000000 Mg\n0.000000 0.000000 -0.000000 Si\n0.264660 -0.000000 -0.000000 O\n0.735340 0.000000 0.000000 O\n0.273158 0.500000 0.500000 O\n0.726842 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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"elements": [
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"density": 3.562944475182994,
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"volume": 181.5439307279194,
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"formula_full": "Sr1 Mg6 Si1 O8",
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},
{
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"created_at": "2022-09-04T14:41:33.949812Z",
"structure_string": "Ta2 Cr6 Cu4 S16\n1.0\n6.026381 0.000000 0.000000\n-0.011291 6.969432 0.000000\n-2.629822 -0.500835 12.530679\nTa Cr Cu S\n2 6 4 16\ndirect\n0.766500 0.983814 0.752566 Ta\n0.741899 0.738224 0.249668 Ta\n0.251315 0.000332 0.252602 Cr\n0.744697 0.501406 0.741023 Cr\n0.255473 0.511325 0.249252 Cr\n0.249939 0.750155 0.749771 Cr\n0.753333 0.258216 0.251891 Cr\n0.249013 0.246701 0.750895 Cr\n0.514597 0.059486 0.033220 Cu\n0.980025 0.416983 0.475447 Cu\n0.652414 0.996122 0.535922 Cu\n0.825669 0.508399 0.958840 Cu\n0.524110 0.741377 0.633241 S\n0.136715 0.268837 0.352536 S\n0.960758 0.263064 0.857448 S\n0.364962 0.749581 0.136413 S\n0.974008 0.750108 0.866230 S\n0.372828 0.243553 0.150042 S\n0.532369 0.242321 0.641496 S\n0.132515 0.759607 0.359032 S\n0.460928 0.005213 0.859833 S\n0.866982 0.000183 0.144030 S\n0.041887 0.489854 0.646261 S\n0.634519 0.511005 0.367770 S\n0.041273 0.988854 0.637028 S\n0.630141 0.015066 0.360725 S\n0.462164 0.507654 0.850518 S\n0.878970 0.492562 0.136302 S\n",
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"elements": [
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"formula_full": "Ta2 Cr6 Cu4 S16",
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"energy": -190.24395905,
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"spacegroup": 1
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{
"id": "mp-673023",
"created_at": "2022-09-04T14:41:45.043854Z",
"structure_string": "Li4 Bi4 P16 O48\n1.0\n9.201548 0.000000 0.000000\n0.000000 10.377450 0.000000\n0.000000 7.772261 10.307578\nLi Bi P O\n4 4 16 48\ndirect\n0.434184 0.157046 0.342326 Li\n0.934184 0.842954 0.157674 Li\n0.565816 0.842954 0.657674 Li\n0.065816 0.157046 0.842326 Li\n0.283414 0.809696 0.993820 Bi\n0.716586 0.190304 0.006180 Bi\n0.783414 0.190304 0.506180 Bi\n0.216586 0.809696 0.493820 Bi\n0.508036 0.501958 0.238232 P\n0.897679 0.891461 0.847796 P\n0.602321 0.891461 0.347796 P\n0.104236 0.695638 0.814590 P\n0.895764 0.304362 0.185410 P\n0.331395 0.198841 0.959215 P\n0.397679 0.108539 0.652204 P\n0.604236 0.304362 0.685410 P\n0.395764 0.695638 0.314590 P\n0.668605 0.801159 0.040785 P\n0.831395 0.801159 0.540785 P\n0.168605 0.198841 0.459215 P\n0.008036 0.498042 0.261768 P\n0.102321 0.108539 0.152204 P\n0.491964 0.498042 0.761768 P\n0.991964 0.501958 0.738232 P\n0.154851 0.804463 0.676394 O\n0.845149 0.195537 0.323606 O\n0.239476 0.104685 0.417747 O\n0.531444 0.861942 0.961815 O\n0.480530 0.946279 0.391540 O\n0.443049 0.670727 0.683194 O\n0.556951 0.329273 0.316806 O\n0.649222 0.617568 0.169550 O\n0.808452 0.019438 0.734151 O\n0.958604 0.468752 0.157075 O\n0.308452 0.980562 0.765849 O\n0.202997 0.652436 0.923824 O\n0.654851 0.195537 0.823606 O\n0.702997 0.347564 0.576176 O\n0.968556 0.861942 0.461815 O\n0.108184 0.553857 0.637601 O\n0.739476 0.895315 0.082253 O\n0.547732 0.763031 0.327221 O\n0.943049 0.329273 0.816806 O\n0.149222 0.382432 0.330450 O\n0.391816 0.553857 0.137601 O\n0.056951 0.670727 0.183194 O\n0.608184 0.446143 0.862399 O\n0.041396 0.531248 0.842925 O\n0.691548 0.019438 0.234151 O\n0.458604 0.531248 0.342925 O\n0.019470 0.946279 0.891540 O\n0.297003 0.652436 0.423824 O\n0.350778 0.382432 0.830450 O\n0.047732 0.236969 0.172779 O\n0.288736 0.228474 0.532632 O\n0.760524 0.895315 0.582253 O\n0.788736 0.771526 0.967368 O\n0.452268 0.236969 0.672779 O\n0.980530 0.053721 0.108460 O\n0.797003 0.347564 0.076176 O\n0.519470 0.053721 0.608460 O\n0.850778 0.617568 0.669550 O\n0.345149 0.804463 0.176394 O\n0.211264 0.228474 0.032632 O\n0.952268 0.763031 0.827221 O\n0.891816 0.446143 0.362399 O\n0.711264 0.771526 0.467368 O\n0.468556 0.138058 0.038185 O\n0.191548 0.980562 0.265849 O\n0.260524 0.104685 0.917747 O\n0.031444 0.138058 0.538185 O\n0.541396 0.468752 0.657075 O\n",
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"volume": 984.2562368571093,
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"formula_full": "Li4 Bi4 P16 O48",
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{
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"structure_string": "Ba6 U2 Fe4 O18\n1.0\n-2.937925 4.208975 8.841936\n2.937925 -4.208975 8.841936\n2.937925 4.208975 -8.841936\nBa U Fe O\n6 2 4 18\ndirect\n0.771462 0.500000 0.271462 Ba\n0.394477 0.156339 0.238138 Ba\n0.081799 0.843661 0.238138 Ba\n0.228538 0.500000 0.728538 Ba\n0.918201 0.156339 0.761862 Ba\n0.605523 0.843661 0.761862 Ba\n0.667874 0.667874 0.000000 U\n0.332126 0.332126 0.000000 U\n0.500000 0.000000 0.500000 Fe\n0.161875 0.661875 0.500000 Fe\n0.838125 0.338125 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.744303 0.000000 0.744303 O\n0.416805 0.666416 0.750389 O\n0.083973 0.333584 0.750389 O\n0.584228 0.834762 0.250534 O\n0.248684 0.500255 0.251571 O\n0.915710 0.165358 0.249648 O\n0.415772 0.666306 0.250534 O\n0.084290 0.333938 0.249648 O\n0.751316 0.002887 0.251571 O\n0.255697 0.000000 0.255697 O\n0.916027 0.666416 0.249611 O\n0.583195 0.333584 0.249611 O\n0.415772 0.165238 0.749466 O\n0.084290 0.834642 0.750352 O\n0.751316 0.499745 0.748429 O\n0.584228 0.333694 0.749466 O\n0.248684 0.997113 0.748429 O\n0.915710 0.666062 0.750352 O\n",
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{
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"structure_string": "Li16 Fe4 O4 F16\n1.0\n6.802433 0.000000 0.000000\n0.000000 0.000000 -8.007036\n0.000000 6.802433 -0.000001\nLi Fe O F\n16 4 4 16\ndirect\n0.292048 0.233965 0.090738 Li\n0.792048 0.483965 0.590738 Li\n0.292048 0.733965 0.090738 Li\n0.792048 0.983965 0.590738 Li\n0.409262 0.983965 0.792048 Li\n0.909262 0.233965 0.292048 Li\n0.409262 0.483965 0.792048 Li\n0.909262 0.733965 0.292048 Li\n0.590738 0.483965 0.207952 Li\n0.090738 0.733965 0.707952 Li\n0.590738 0.983965 0.207952 Li\n0.090738 0.233965 0.707952 Li\n0.707952 0.233965 0.909262 Li\n0.207952 0.483965 0.409262 Li\n0.707952 0.733965 0.909262 Li\n0.207952 0.983965 0.409262 Li\n0.000000 0.484178 0.000000 Fe\n0.500000 0.734178 0.500000 Fe\n0.000000 0.984178 0.000000 Fe\n0.500000 0.234178 0.500000 Fe\n0.000000 0.234064 0.000000 O\n0.500000 0.484064 0.500000 O\n0.000000 0.734064 0.000000 O\n0.500000 0.984064 0.500000 O\n0.309157 0.483975 0.102887 F\n0.809157 0.733975 0.602887 F\n0.309157 0.983975 0.102887 F\n0.809157 0.233975 0.602887 F\n0.397113 0.233975 0.809157 F\n0.897113 0.483975 0.309157 F\n0.397113 0.733975 0.809157 F\n0.897113 0.983975 0.309157 F\n0.602887 0.233975 0.190843 F\n0.102887 0.483975 0.690843 F\n0.602887 0.733975 0.190843 F\n0.102887 0.983975 0.690843 F\n0.690843 0.983975 0.897113 F\n0.190843 0.233975 0.397113 F\n0.690843 0.483975 0.897113 F\n0.190843 0.733975 0.397113 F\n",
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{
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"structure_string": "Na3 Ca1 Al4 Si8 Cl1 O24\n1.0\n7.694280 0.000000 0.000000\n3.788816 8.621864 0.000000\n3.845965 0.013937 8.617980\nNa Ca Al Si Cl O\n3 1 4 8 1 24\ndirect\n0.858884 0.347838 0.918998 Na\n0.771398 0.085666 0.347324 Na\n0.134848 0.648851 0.081405 Na\n0.217519 0.918317 0.646282 Ca\n0.866130 0.422431 0.254307 Al\n0.546090 0.576614 0.744236 Al\n0.285082 0.258460 0.578895 Al\n0.122541 0.743222 0.425502 Al\n0.662521 0.747744 0.931055 Si\n0.875984 0.248344 0.576919 Si\n0.710483 0.752459 0.420071 Si\n0.586184 0.071027 0.750682 Si\n0.415531 0.928396 0.251891 Si\n0.458090 0.419961 0.249926 Si\n0.124083 0.581574 0.755525 Si\n0.338112 0.252063 0.071520 Si\n0.028472 0.987135 0.959287 Cl\n0.904457 0.647396 0.905247 O\n0.874397 0.817480 0.424676 O\n0.650639 0.894194 0.812333 O\n0.828349 0.606897 0.303289 O\n0.566982 0.637914 0.899515 O\n0.738717 0.393893 0.694568 O\n0.865517 0.286762 0.406609 O\n0.802769 0.097987 0.643966 O\n0.556425 0.716489 0.590974 O\n0.555187 0.904922 0.354973 O\n0.687488 0.422837 0.184012 O\n0.544439 0.806597 0.109653 O\n0.462397 0.192740 0.893435 O\n0.296547 0.577970 0.814992 O\n0.451163 0.097369 0.646905 O\n0.437077 0.297869 0.393771 O\n0.212730 0.897152 0.373484 O\n0.125059 0.709201 0.614223 O\n0.272830 0.588688 0.295703 O\n0.449113 0.355342 0.100732 O\n0.147847 0.415552 0.707020 O\n0.355266 0.104641 0.189921 O\n0.109515 0.181085 0.577304 O\n0.103140 0.358919 0.098868 O\n",
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