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{
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{
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"formula_full": "Al26 Tl6 S42",
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{
"id": "mp-1217555",
"created_at": "2022-09-04T14:40:23.943577Z",
"structure_string": "Ti8 Nb4 Ni36\n1.0\n2.559167 -4.432607 0.000000\n2.559167 4.432607 0.000000\n0.000000 0.000000 25.293249\nTi Nb Ni\n8 4 36\ndirect\n0.000000 0.000000 0.666421 Ti\n0.000000 0.000000 0.333579 Ti\n0.666667 0.333333 0.916422 Ti\n0.666667 0.333333 0.583751 Ti\n0.666667 0.333333 0.250630 Ti\n0.666667 0.333333 0.083578 Ti\n0.666667 0.333333 0.749370 Ti\n0.666667 0.333333 0.416249 Ti\n0.333333 0.666667 0.831823 Nb\n0.333333 0.666667 0.500000 Nb\n0.333333 0.666667 0.168177 Nb\n0.000000 0.000000 0.000000 Nb\n0.837492 0.162508 0.833338 Ni\n0.837720 0.162280 0.500000 Ni\n0.837492 0.162508 0.166662 Ni\n0.837492 0.674983 0.833338 Ni\n0.837720 0.675439 0.500000 Ni\n0.837492 0.674983 0.166662 Ni\n0.325017 0.162508 0.833338 Ni\n0.324561 0.162280 0.500000 Ni\n0.325017 0.162508 0.166662 Ni\n0.496040 0.503960 0.000000 Ni\n0.495542 0.504458 0.666623 Ni\n0.495542 0.504458 0.333377 Ni\n0.496040 0.992081 0.000000 Ni\n0.495542 0.991085 0.666623 Ni\n0.495542 0.991085 0.333377 Ni\n0.007919 0.503960 0.000000 Ni\n0.008915 0.504458 0.666623 Ni\n0.008915 0.504458 0.333377 Ni\n0.666221 0.833111 0.916608 Ni\n0.668134 0.834067 0.584061 Ni\n0.668532 0.834266 0.250839 Ni\n0.166889 0.833111 0.916608 Ni\n0.165933 0.834067 0.584061 Ni\n0.165734 0.834266 0.250839 Ni\n0.166889 0.333779 0.916608 Ni\n0.165933 0.331866 0.584061 Ni\n0.165734 0.331468 0.250839 Ni\n0.666221 0.833111 0.083392 Ni\n0.668532 0.834266 0.749161 Ni\n0.668134 0.834067 0.415939 Ni\n0.166889 0.833111 0.083392 Ni\n0.165734 0.834266 0.749161 Ni\n0.165933 0.834067 0.415939 Ni\n0.165734 0.331468 0.749161 Ni\n0.165933 0.331866 0.415939 Ni\n0.166889 0.333779 0.083392 Ni\n",
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"volume": 573.8421831148702,
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"formula_full": "Ti8 Nb4 Ni36",
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"spacegroup": 187
},
{
"id": "mp-1112416",
"created_at": "2022-09-04T14:40:15.061582Z",
"structure_string": "Rb2 Tb1 Cu1 Cl6\n1.0\n0.000000 5.220694 5.220694\n5.220694 0.000000 5.220694\n5.220694 5.220694 0.000000\nRb Tb Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cu\n0.745932 0.254068 0.254068 Cl\n0.254068 0.254068 0.745932 Cl\n0.254068 0.745932 0.745932 Cl\n0.254068 0.745932 0.254068 Cl\n0.745932 0.254068 0.745932 Cl\n0.745932 0.745932 0.254068 Cl\n",
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],
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"formula_full": "Rb2 Tb1 Cu1 Cl6",
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},
{
"id": "mp-560110",
"created_at": "2022-09-04T14:40:17.951041Z",
"structure_string": "Ba4 U4 Ti4 O24\n1.0\n8.652357 0.000000 0.000000\n0.000000 6.623323 0.000000\n0.000000 2.336708 10.031274\nBa U Ti O\n4 4 4 24\ndirect\n0.234179 0.464751 0.342219 Ba\n0.765821 0.535249 0.657781 Ba\n0.734179 0.535249 0.157781 Ba\n0.265821 0.464751 0.842219 Ba\n0.518289 0.977436 0.321951 U\n0.981711 0.977436 0.821951 U\n0.481711 0.022564 0.678049 U\n0.018289 0.022564 0.178049 U\n0.150684 0.885157 0.549931 Ti\n0.650684 0.114843 0.950069 Ti\n0.849316 0.114843 0.450069 Ti\n0.349316 0.885157 0.049931 Ti\n0.010346 0.266003 0.763663 O\n0.562391 0.928430 0.112751 O\n0.044603 0.310829 0.126531 O\n0.544603 0.689171 0.373469 O\n0.286169 0.917723 0.223518 O\n0.989654 0.733997 0.236337 O\n0.149834 0.003932 0.987931 O\n0.649834 0.996068 0.512069 O\n0.213831 0.917723 0.723518 O\n0.062391 0.071570 0.387249 O\n0.850166 0.996068 0.012069 O\n0.937609 0.928430 0.612751 O\n0.659405 0.376964 0.945666 O\n0.955397 0.689171 0.873469 O\n0.840595 0.376964 0.445666 O\n0.340595 0.623036 0.054334 O\n0.159405 0.623036 0.554334 O\n0.350166 0.003932 0.487931 O\n0.713831 0.082277 0.776482 O\n0.455397 0.310829 0.626531 O\n0.437609 0.071570 0.887249 O\n0.786169 0.082277 0.276482 O\n0.510346 0.733997 0.736337 O\n0.489654 0.266003 0.263663 O\n",
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},
{
"id": "mp-1076893",
"created_at": "2022-09-04T14:40:55.561214Z",
"structure_string": "Ba8 Sr24 Co20 Cu12 O80\n1.0\n-0.030156 0.011933 11.124812\n11.165359 -0.008093 -0.031495\n-5.579858 16.145700 -5.530980\nBa Sr Co Cu O\n8 24 20 12 80\ndirect\n0.308565 0.061298 0.117376 Ba\n0.310497 0.560819 0.117957 Ba\n0.807685 0.055822 0.119155 Ba\n0.807207 0.557927 0.115587 Ba\n0.187733 0.940485 0.875253 Ba\n0.051970 0.801135 0.113852 Ba\n0.557488 0.309127 0.115672 Ba\n0.931657 0.683615 0.874819 Ba\n0.304230 0.058246 0.614695 Sr\n0.309319 0.560456 0.611709 Sr\n0.804593 0.057838 0.610433 Sr\n0.803864 0.557144 0.609787 Sr\n0.196538 0.441593 0.391927 Sr\n0.193053 0.440460 0.884578 Sr\n0.198758 0.938837 0.393197 Sr\n0.695557 0.442061 0.390527 Sr\n0.695093 0.436461 0.884513 Sr\n0.690746 0.943107 0.390090 Sr\n0.688371 0.939328 0.884682 Sr\n0.061598 0.301544 0.110879 Sr\n0.052617 0.304413 0.613339 Sr\n0.054927 0.803444 0.610431 Sr\n0.562212 0.305323 0.613191 Sr\n0.558577 0.810316 0.112760 Sr\n0.557403 0.802946 0.611140 Sr\n0.445971 0.200212 0.391846 Sr\n0.444026 0.196196 0.884591 Sr\n0.449273 0.701694 0.393008 Sr\n0.442961 0.698425 0.884064 Sr\n0.946988 0.196174 0.391860 Sr\n0.945203 0.191597 0.884236 Sr\n0.941830 0.702140 0.394499 Sr\n0.991529 0.994611 0.983859 Co\n0.996107 0.000963 0.499504 Co\n0.994413 0.487868 0.984925 Co\n0.003094 0.504264 0.506487 Co\n0.494022 0.996350 0.989703 Co\n0.503151 0.000525 0.502565 Co\n0.495423 0.492661 0.982165 Co\n0.503445 0.497796 0.497335 Co\n0.244678 0.245989 0.991725 Co\n0.257233 0.254697 0.508972 Co\n0.247395 0.746846 0.993028 Co\n0.255919 0.753286 0.504427 Co\n0.747107 0.242126 0.988877 Co\n0.750840 0.249253 0.498455 Co\n0.738815 0.742825 0.987750 Co\n0.755336 0.754335 0.508368 Co\n0.119503 0.093692 0.258505 Co\n0.115464 0.593442 0.256727 Co\n0.620286 0.604290 0.259984 Co\n0.871773 0.407382 0.256007 Co\n0.112845 0.103972 0.744823 Cu\n0.117764 0.594538 0.747111 Cu\n0.619260 0.100702 0.256543 Cu\n0.614848 0.098845 0.747647 Cu\n0.609570 0.597495 0.747586 Cu\n0.360930 0.405147 0.255094 Cu\n0.363994 0.401283 0.747475 Cu\n0.367871 0.902651 0.254056 Cu\n0.367730 0.899646 0.745908 Cu\n0.863620 0.391499 0.745501 Cu\n0.861675 0.893530 0.257593 Cu\n0.856950 0.904853 0.744746 Cu\n0.117182 0.115464 0.497227 O\n0.116650 0.120642 0.991677 O\n0.116486 0.614179 0.496222 O\n0.112840 0.611952 0.991953 O\n0.614971 0.118814 0.496836 O\n0.615266 0.113677 0.992154 O\n0.621253 0.621944 0.498418 O\n0.615560 0.623773 0.992600 O\n0.131738 0.367477 0.997288 O\n0.138839 0.368567 0.507881 O\n0.117330 0.872448 0.997336 O\n0.136134 0.865546 0.505395 O\n0.628961 0.370805 0.995558 O\n0.636229 0.371720 0.505218 O\n0.621855 0.868928 0.999279 O\n0.633967 0.871347 0.505875 O\n0.363962 0.132721 0.496440 O\n0.367284 0.132225 0.990569 O\n0.365947 0.632209 0.496201 O\n0.366451 0.635029 0.993019 O\n0.866032 0.127766 0.496526 O\n0.874398 0.111130 0.993673 O\n0.866335 0.625321 0.494788 O\n0.861023 0.616269 0.989901 O\n0.382561 0.390758 0.997315 O\n0.388531 0.389156 0.509033 O\n0.378933 0.885187 0.997270 O\n0.384893 0.890031 0.508812 O\n0.887678 0.373997 0.997632 O\n0.888543 0.384678 0.506310 O\n0.861287 0.864361 0.996805 O\n0.882868 0.882729 0.509071 O\n0.086054 0.106676 0.157624 O\n0.069776 0.087820 0.633559 O\n0.079614 0.585787 0.150500 O\n0.079278 0.589569 0.637404 O\n0.573529 0.080040 0.144139 O\n0.575120 0.086980 0.636914 O\n0.581656 0.605817 0.156648 O\n0.579065 0.586559 0.638317 O\n0.440760 0.417130 0.369050 O\n0.440839 0.418241 0.859541 O\n0.436737 0.913555 0.365953 O\n0.437810 0.915004 0.857833 O\n0.944518 0.397670 0.358518 O\n0.939102 0.407632 0.858211 O\n0.938241 0.914651 0.369708 O\n0.923657 0.919478 0.858575 O\n0.319282 0.311573 0.139747 O\n0.327690 0.299536 0.637640 O\n0.327522 0.813870 0.138843 O\n0.329082 0.798730 0.635463 O\n0.840107 0.312983 0.148407 O\n0.818294 0.296197 0.634129 O\n0.818115 0.811722 0.145029 O\n0.822354 0.798620 0.632815 O\n0.197817 0.208653 0.358180 O\n0.186841 0.197654 0.857826 O\n0.197826 0.702290 0.360219 O\n0.187273 0.687965 0.860217 O\n0.695701 0.200978 0.367650 O\n0.690005 0.192619 0.859419 O\n0.692067 0.706440 0.365479 O\n0.671036 0.694340 0.860463 O\n0.463259 0.052163 0.262626 O\n0.454025 0.055697 0.748922 O\n0.462786 0.552481 0.262560 O\n0.446242 0.554572 0.746619 O\n0.968046 0.047316 0.262647 O\n0.952970 0.051092 0.746964 O\n0.951938 0.565456 0.263332 O\n0.956721 0.527102 0.735728 O\n0.192383 0.441852 0.254126 O\n0.202423 0.441473 0.747678 O\n0.204347 0.954827 0.259160 O\n0.208280 0.960357 0.735310 O\n0.706316 0.454463 0.259730 O\n0.706527 0.454167 0.750106 O\n0.702409 0.947234 0.254019 O\n0.695481 0.944571 0.747072 O\n",
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