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{
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"structure_string": "Ta6 Si7 Ni16\n1.0\n0.000000 5.616261 5.616261\n5.616261 0.000000 5.616261\n5.616261 5.616261 0.000000\nTa Si Ni\n6 7 16\ndirect\n0.797160 0.202840 0.797160 Ta\n0.202841 0.202841 0.797160 Ta\n0.797160 0.797160 0.202841 Ta\n0.797160 0.202840 0.202840 Ta\n0.202840 0.797160 0.797160 Ta\n0.202840 0.797160 0.202841 Ta\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.501500 0.832833 0.832833 Ni\n0.832833 0.501500 0.832833 Ni\n0.832833 0.832833 0.501500 Ni\n0.167167 0.498500 0.167167 Ni\n0.167167 0.167167 0.498500 Ni\n0.498500 0.167167 0.167167 Ni\n0.832833 0.832833 0.832833 Ni\n0.383327 0.383327 0.383327 Ni\n0.149981 0.616673 0.616673 Ni\n0.616673 0.149981 0.616673 Ni\n0.616673 0.616673 0.149981 Ni\n0.383327 0.850019 0.383327 Ni\n0.383327 0.383327 0.850019 Ni\n0.850019 0.383327 0.383327 Ni\n0.616673 0.616673 0.616673 Ni\n0.167167 0.167167 0.167167 Ni\n",
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{
"id": "mp-676291",
"created_at": "2022-09-04T14:43:13.195579Z",
"structure_string": "Ta36 Te18 S6\n1.0\n10.204859 0.000000 0.000000\n0.694444 10.365112 0.000000\n2.086315 2.418280 13.519865\nTa Te S\n36 18 6\ndirect\n0.237806 0.443029 0.466729 Ta\n0.353264 0.252087 0.035837 Ta\n0.263134 0.475090 0.662921 Ta\n0.288832 0.719807 0.475069 Ta\n0.365452 0.144119 0.249204 Ta\n0.368847 0.433591 0.191632 Ta\n0.382486 0.000701 0.462430 Ta\n0.335446 0.214696 0.792604 Ta\n0.431026 0.740124 0.107353 Ta\n0.396423 0.869798 0.279229 Ta\n0.356254 0.465193 0.854127 Ta\n0.428512 0.234068 0.568474 Ta\n0.500000 0.500000 0.000000 Ta\n0.384980 0.979930 0.691541 Ta\n0.471488 0.597788 0.311645 Ta\n0.550170 0.009487 0.092193 Ta\n0.401011 0.742338 0.863799 Ta\n0.442255 0.707334 0.645775 Ta\n0.500000 0.500000 0.500000 Ta\n0.557745 0.292666 0.354225 Ta\n0.598989 0.257662 0.136201 Ta\n0.449830 0.990513 0.907807 Ta\n0.528512 0.402212 0.688355 Ta\n0.615020 0.020070 0.308459 Ta\n0.571488 0.765932 0.431526 Ta\n0.643746 0.534807 0.145873 Ta\n0.603577 0.130202 0.720771 Ta\n0.568974 0.259876 0.892647 Ta\n0.664554 0.785304 0.207396 Ta\n0.617514 0.999299 0.537570 Ta\n0.631153 0.566409 0.808368 Ta\n0.634548 0.855881 0.750796 Ta\n0.711168 0.280193 0.524931 Ta\n0.736866 0.524910 0.337079 Ta\n0.646736 0.747913 0.964163 Ta\n0.762194 0.556971 0.533271 Ta\n0.043209 0.612233 0.573626 Te\n0.140140 0.294674 0.190408 Te\n0.153016 0.238663 0.644142 Te\n0.153329 0.968084 0.374124 Te\n0.236186 0.614414 0.031827 Te\n0.132204 0.312910 0.925741 Te\n0.202625 0.640421 0.289260 Te\n0.271071 0.982655 0.094054 Te\n0.193220 0.959870 0.858380 Te\n0.806780 0.040130 0.141620 Te\n0.728929 0.017345 0.905946 Te\n0.797375 0.359579 0.710740 Te\n0.867796 0.687090 0.074259 Te\n0.763814 0.385586 0.968173 Te\n0.846671 0.031916 0.625876 Te\n0.846984 0.761337 0.355858 Te\n0.859860 0.705326 0.809592 Te\n0.956791 0.387767 0.426374 Te\n0.233476 0.649962 0.769165 S\n0.320659 0.238938 0.405802 S\n0.248529 0.866481 0.603539 S\n0.751471 0.133519 0.396461 S\n0.679341 0.761062 0.594198 S\n0.766524 0.350038 0.230835 S\n",
"nsites": 60,
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"formula_full": "Ta36 Te18 S6",
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"spacegroup": 2
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{
"id": "mp-1218083",
"created_at": "2022-09-04T14:42:45.723574Z",
"structure_string": "Ta12 Te2 Se4\n1.0\n2.405300 7.253452 0.000000\n-2.405300 7.253452 0.000000\n0.000000 0.126498 10.973713\nTa Te Se\n12 2 4\ndirect\n0.414497 0.414497 0.218582 Ta\n0.082084 0.082084 0.214464 Ta\n0.749298 0.749298 0.216542 Ta\n0.917916 0.917916 0.785536 Ta\n0.585503 0.585503 0.781418 Ta\n0.250702 0.250702 0.783458 Ta\n0.417178 0.417178 0.932246 Ta\n0.083410 0.083410 0.926553 Ta\n0.750792 0.750792 0.930876 Ta\n0.916590 0.916590 0.073447 Ta\n0.582822 0.582822 0.067754 Ta\n0.249208 0.249208 0.069124 Ta\n0.085133 0.085133 0.635464 Te\n0.914867 0.914867 0.364536 Te\n0.753645 0.753645 0.671491 Se\n0.417840 0.417840 0.674076 Se\n0.582160 0.582160 0.325924 Se\n0.246355 0.246355 0.328509 Se\n",
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"formula_full": "Ta12 Te2 Se4",
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"updated_at": "2021-11-28T01:35:59.308000Z",
"spacegroup": 12
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{
"id": "mp-1218009",
"created_at": "2022-09-04T14:45:13.938027Z",
"structure_string": "Ta6 Ti1 C3 S6\n1.0\n4.969570 2.869088 0.000000\n-4.969570 2.869088 0.000000\n0.000000 1.916260 8.651673\nTa Ti C S\n6 1 3 6\ndirect\n0.455860 0.789037 0.632946 Ta\n0.122410 0.122410 0.631757 Ta\n0.789037 0.455860 0.632946 Ta\n0.544140 0.210963 0.367054 Ta\n0.210963 0.544140 0.367054 Ta\n0.877590 0.877590 0.368243 Ta\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 C\n0.167659 0.832341 0.500000 C\n0.832341 0.167659 0.500000 C\n0.606259 0.941983 0.173710 S\n0.277946 0.277946 0.173266 S\n0.941983 0.606259 0.173710 S\n0.393741 0.058017 0.826290 S\n0.058017 0.393741 0.826290 S\n0.722054 0.722054 0.826734 S\n",
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{
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"created_at": "2022-09-04T14:42:54.055854Z",
"structure_string": "Ta6 Ti1 Tl2 O18\n1.0\n3.815103 6.594212 0.000000\n-3.815103 6.594212 0.000000\n0.000000 0.026050 8.347745\nTa Ti Tl O\n6 1 2 18\ndirect\n0.663765 0.171534 0.848663 Ta\n0.167059 0.666014 0.848375 Ta\n0.164424 0.171128 0.848591 Ta\n0.333986 0.832941 0.151625 Ta\n0.828466 0.336235 0.151337 Ta\n0.828872 0.835576 0.151409 Ta\n0.999330 0.000670 0.500000 Ti\n0.277103 0.361698 0.307182 Tl\n0.638302 0.722897 0.692818 Tl\n0.101810 0.449961 0.840649 O\n0.449112 0.101613 0.839191 O\n0.448480 0.450408 0.840405 O\n0.898387 0.550888 0.160809 O\n0.550039 0.898190 0.159351 O\n0.549592 0.551520 0.159595 O\n0.283650 0.858955 0.898835 O\n0.858437 0.283396 0.899371 O\n0.857278 0.858497 0.899133 O\n0.716604 0.141563 0.100629 O\n0.141045 0.716350 0.101165 O\n0.141503 0.142722 0.100867 O\n0.758534 0.119390 0.638992 O\n0.120978 0.757888 0.637953 O\n0.122556 0.120034 0.638329 O\n0.242112 0.879022 0.362047 O\n0.880610 0.241466 0.361008 O\n0.879966 0.877444 0.361671 O\n",
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{
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{
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