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{
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{
"id": "mp-1228371",
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"structure_string": "Ba8 Ca4 Cu8 Hg4 O25\n1.0\n3.867875 7.750845 0.000000\n-3.867875 7.750845 0.000000\n0.000000 3.865468 12.939785\nBa Ca Cu Hg O\n8 4 8 4 25\ndirect\n0.444629 0.444629 0.221437 Ba\n0.948183 0.948183 0.207212 Ba\n0.694995 0.694995 0.219106 Ba\n0.195415 0.195415 0.219356 Ba\n0.305005 0.305005 0.780894 Ba\n0.804585 0.804585 0.780644 Ba\n0.555371 0.555371 0.778563 Ba\n0.051817 0.051817 0.792788 Ba\n0.375069 0.375069 0.500424 Ca\n0.875358 0.875358 0.497878 Ca\n0.624931 0.624931 0.499576 Ca\n0.124642 0.124642 0.502122 Ca\n0.279351 0.781390 0.377814 Cu\n0.781390 0.279351 0.377814 Cu\n0.531576 0.030175 0.377837 Cu\n0.030175 0.531576 0.377837 Cu\n0.218610 0.720649 0.622186 Cu\n0.720649 0.218610 0.622186 Cu\n0.468424 0.969825 0.622163 Cu\n0.969825 0.468424 0.622163 Cu\n0.120578 0.638980 0.000012 Hg\n0.638980 0.120578 0.000012 Hg\n0.361020 0.879422 0.999988 Hg\n0.879422 0.361020 0.999988 Hg\n0.157652 0.653190 0.378481 O\n0.653190 0.157652 0.378481 O\n0.405283 0.905681 0.378086 O\n0.905681 0.405283 0.378086 O\n0.530809 0.530809 0.378062 O\n0.031198 0.031198 0.378936 O\n0.779354 0.779354 0.378935 O\n0.280202 0.280202 0.377958 O\n0.094319 0.594717 0.621914 O\n0.594717 0.094319 0.621914 O\n0.346810 0.842348 0.621519 O\n0.842348 0.346810 0.621519 O\n0.469191 0.469191 0.621938 O\n0.968802 0.968802 0.621064 O\n0.719798 0.719798 0.622042 O\n0.220646 0.220646 0.621065 O\n0.342774 0.832310 0.158255 O\n0.832310 0.342774 0.158255 O\n0.578299 0.088591 0.158237 O\n0.088591 0.578299 0.158237 O\n0.167690 0.657226 0.841745 O\n0.657226 0.167690 0.841745 O\n0.421701 0.911409 0.841763 O\n0.911409 0.421701 0.841763 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Ba8 Ca4 Cu8 Hg4 O25",
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},
{
"id": "mp-1173595",
"created_at": "2022-09-04T14:39:24.961803Z",
"structure_string": "Sr14 Nb6 O29\n1.0\n6.048816 0.000000 0.000000\n2.910362 5.329031 0.000000\n2.202343 0.325574 24.802810\nSr Nb O\n14 6 29\ndirect\n0.072692 0.426924 0.069581 Sr\n0.432408 0.715871 0.238323 Sr\n0.423709 0.789874 0.100349 Sr\n0.777800 0.087569 0.164675 Sr\n0.756611 0.164125 0.466327 Sr\n0.773473 0.045579 0.307026 Sr\n0.101976 0.410948 0.345635 Sr\n0.746230 0.669303 0.680929 Sr\n0.958016 0.039912 0.842966 Sr\n0.055573 0.009146 0.700525 Sr\n0.366536 0.915015 0.546778 Sr\n0.329303 0.369029 0.777189 Sr\n0.305334 0.346662 0.916273 Sr\n0.648764 0.687578 0.941353 Sr\n0.943255 0.987033 0.001299 Nb\n0.123287 0.549593 0.503456 Nb\n0.103147 0.403327 0.205442 Nb\n0.408122 0.354553 0.621157 Nb\n0.399690 0.714611 0.394193 Nb\n0.656494 0.694877 0.809647 Nb\n0.996944 0.281201 0.977940 O\n0.341412 0.162456 0.144890 O\n0.792762 0.520161 0.157693 O\n0.733900 0.832384 0.034386 O\n0.868458 0.643898 0.263997 O\n0.975971 0.075741 0.074225 O\n0.405247 0.293770 0.251486 O\n0.177645 0.663844 0.166751 O\n0.693034 0.402559 0.375209 O\n0.223963 0.757385 0.330578 O\n0.029790 0.131385 0.236267 O\n0.454010 0.995872 0.383367 O\n0.074531 0.272961 0.488626 O\n0.796325 0.792206 0.521081 O\n0.439287 0.271774 0.541720 O\n0.066552 0.703973 0.424875 O\n0.156245 0.669690 0.582587 O\n0.421231 0.630677 0.473682 O\n0.721745 0.326733 0.634789 O\n0.904854 0.380267 0.764082 O\n0.393115 0.759771 0.758752 O\n0.397799 0.044649 0.639412 O\n0.751006 0.930929 0.762123 O\n0.204190 0.534405 0.683477 O\n0.954153 0.615212 0.855813 O\n0.255938 0.684646 0.989643 O\n0.747179 0.050047 0.938903 O\n0.561953 0.468728 0.855790 O\n0.407864 0.987487 0.857151 O\n",
"nsites": 49,
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"elements": [
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"formula_full": "Sr14 Nb6 O29",
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},
{
"id": "mp-1203283",
"created_at": "2022-09-04T14:39:14.329145Z",
"structure_string": "Sc1 Ga40 Mo8\n1.0\n6.523956 -7.084750 0.000000\n6.523956 7.084750 0.000000\n-1.169792 0.000000 9.559669\nSc Ga Mo\n1 40 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.268665 0.636747 0.611681 Ga\n0.611681 0.268665 0.636747 Ga\n0.636747 0.611681 0.268665 Ga\n0.731335 0.363253 0.388319 Ga\n0.388319 0.731335 0.363253 Ga\n0.363253 0.388319 0.731335 Ga\n0.676039 0.779040 0.537058 Ga\n0.537058 0.676039 0.779040 Ga\n0.779040 0.537058 0.676039 Ga\n0.323961 0.220960 0.462942 Ga\n0.462942 0.323961 0.220960 Ga\n0.220960 0.462942 0.323961 Ga\n0.780060 0.072056 0.451902 Ga\n0.451902 0.780060 0.072056 Ga\n0.072056 0.451902 0.780060 Ga\n0.219940 0.927944 0.548098 Ga\n0.548098 0.219940 0.927944 Ga\n0.927944 0.548098 0.219940 Ga\n0.967046 0.785544 0.598244 Ga\n0.598244 0.967046 0.785544 Ga\n0.785544 0.598244 0.967046 Ga\n0.032954 0.214456 0.401756 Ga\n0.401756 0.032954 0.214456 Ga\n0.214456 0.401756 0.032954 Ga\n0.054454 0.732211 0.870080 Ga\n0.870080 0.054454 0.732211 Ga\n0.732211 0.870080 0.054454 Ga\n0.945546 0.267789 0.129920 Ga\n0.129920 0.945546 0.267789 Ga\n0.267789 0.129920 0.945546 Ga\n0.122892 0.174077 0.684532 Ga\n0.684532 0.122892 0.174077 Ga\n0.174077 0.684532 0.122892 Ga\n0.877108 0.825923 0.315468 Ga\n0.315468 0.877108 0.825923 Ga\n0.825923 0.315468 0.877108 Ga\n0.798753 0.798753 0.798753 Mo\n0.201247 0.201247 0.201247 Mo\n0.293748 0.611294 0.887458 Mo\n0.887458 0.293748 0.611294 Mo\n0.611294 0.887458 0.293748 Mo\n0.706252 0.388706 0.112542 Mo\n0.112542 0.706252 0.388706 Mo\n0.388706 0.112542 0.706252 Mo\n",
"nsites": 49,
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"elements": [
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],
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"formula_full": "Sc1 Ga40 Mo8",
"formula_reduced": "Sc(Ga5Mo)8",
"formula_anonymous": "AB8C40",
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"updated_at": "2021-11-28T01:34:37.586000Z",
"spacegroup": 148
},
{
"id": "mp-760075",
"created_at": "2022-09-04T14:39:15.094498Z",
"structure_string": "Ti19 O30\n1.0\n5.101870 0.000000 0.000000\n-2.548641 4.900673 0.000000\n-0.021843 -1.750649 21.074528\nTi O\n19 30\ndirect\n0.511577 0.045660 0.935141 Ti\n0.818470 0.629489 0.837534 Ti\n0.415906 0.831942 0.631539 Ti\n0.284074 0.568286 0.469134 Ti\n0.315604 0.631984 0.330059 Ti\n0.388687 0.772464 0.771448 Ti\n0.118084 0.232196 0.731132 Ti\n0.089732 0.171518 0.869742 Ti\n0.983188 0.968114 0.569742 Ti\n0.915691 0.821059 0.127818 Ti\n0.016674 0.032068 0.430831 Ti\n0.882782 0.770725 0.268587 Ti\n0.616040 0.231149 0.230298 Ti\n0.716256 0.431479 0.531346 Ti\n0.685441 0.371082 0.671282 Ti\n0.584238 0.168801 0.368873 Ti\n0.184044 0.370333 0.166991 Ti\n0.484940 0.973187 0.068310 Ti\n0.215705 0.439326 0.023835 Ti\n0.162443 0.700109 0.550114 O\n0.513307 0.355410 0.882820 O\n0.108606 0.849415 0.905135 O\n0.675788 0.037818 0.712779 O\n0.736396 0.162900 0.588301 O\n0.642426 0.908359 0.850816 O\n0.436954 0.500774 0.249595 O\n0.960759 0.276555 0.948546 O\n0.761935 0.900573 0.350109 O\n0.662624 0.637264 0.612864 O\n0.064772 0.439400 0.811902 O\n0.867000 0.040624 0.211744 O\n0.128528 0.564195 0.688264 O\n0.725419 0.762123 0.487835 O\n0.433173 0.219181 0.014387 O\n0.274671 0.237560 0.512498 O\n0.873951 0.438888 0.312068 O\n0.503513 0.772225 0.986745 O\n0.127841 0.957738 0.785875 O\n0.337182 0.362958 0.387476 O\n0.940077 0.564069 0.188514 O\n0.239443 0.101269 0.649957 O\n0.051642 0.684948 0.059084 O\n0.564486 0.502069 0.751232 O\n0.362736 0.101963 0.150355 O\n0.263478 0.837662 0.412191 O\n0.924414 0.157593 0.086956 O\n0.324744 0.963261 0.287545 O\n0.483938 0.636476 0.111610 O\n0.837831 0.300170 0.450075 O\n",
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},
{
"id": "mp-1348593",
"created_at": "2022-09-04T14:48:25.160196Z",
"structure_string": "Y4 Fe13 Si2 Sb2 O28\n1.0\n12.022972 2.863104 0.000000\n-12.022972 2.863104 0.000000\n0.000000 1.620800 9.282300\nY Fe Si Sb O\n4 13 2 2 28\ndirect\n0.074697 0.486910 0.656381 Y\n0.513090 0.925303 0.343619 Y\n0.925303 0.513090 0.343619 Y\n0.486910 0.074697 0.656381 Y\n0.917911 0.655872 0.645810 Fe\n0.663054 0.786749 0.328347 Fe\n0.344128 0.082089 0.354190 Fe\n0.082089 0.344128 0.354190 Fe\n0.336946 0.213251 0.671653 Fe\n0.289830 0.710170 0.000000 Fe\n0.213251 0.336946 0.671653 Fe\n0.000000 0.000000 0.000000 Fe\n0.427453 0.572547 0.000000 Fe\n0.786749 0.663054 0.328347 Fe\n0.655872 0.917911 0.645810 Fe\n0.572547 0.427453 0.000000 Fe\n0.710170 0.289830 0.000000 Fe\n0.248859 0.248859 0.293941 Si\n0.751141 0.751141 0.706059 Si\n0.862000 0.138000 0.000000 Sb\n0.138000 0.862000 0.000000 Sb\n0.720228 0.980361 0.404201 O\n0.127264 0.546869 0.388029 O\n0.959130 0.959130 0.341149 O\n0.315705 0.315705 0.117785 O\n0.872736 0.453131 0.611971 O\n0.279772 0.019639 0.595799 O\n0.008715 0.598321 0.103847 O\n0.991285 0.401679 0.896153 O\n0.684295 0.684295 0.882215 O\n0.118063 0.268366 0.891255 O\n0.311844 0.421690 0.361032 O\n0.019639 0.279772 0.595799 O\n0.401679 0.991285 0.896153 O\n0.731634 0.881937 0.108745 O\n0.578310 0.688156 0.638968 O\n0.040870 0.040870 0.658851 O\n0.268366 0.118063 0.891255 O\n0.881937 0.731634 0.108745 O\n0.598321 0.008715 0.103847 O\n0.124608 0.402913 0.120363 O\n0.875392 0.597087 0.879637 O\n0.421690 0.311844 0.361032 O\n0.402913 0.124608 0.120363 O\n0.546869 0.127264 0.388029 O\n0.688156 0.578310 0.638968 O\n0.597087 0.875392 0.879637 O\n0.980361 0.720228 0.404201 O\n0.453131 0.872736 0.611971 O\n",
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"formula_full": "Y4 Fe13 Si2 Sb2 O28",
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},
{
"id": "mp-1257812",
"created_at": "2022-09-04T14:48:26.781431Z",
"structure_string": "Y4 Ti13 Si2 Sb2 O28\n1.0\n5.443776 0.266325 1.246441\n2.049590 8.797599 0.338128\n-0.349651 -0.031042 12.671008\nY Ti Si Sb O\n4 13 2 2 28\ndirect\n0.015520 0.677341 0.423589 Y\n0.557746 0.303805 0.412079 Y\n0.986110 0.320166 0.577925 Y\n0.443923 0.693686 0.589244 Y\n0.873682 0.621349 0.739132 Ti\n0.623492 0.364065 0.124593 Ti\n0.425359 0.375522 0.727587 Ti\n0.128373 0.377304 0.262304 Ti\n0.381138 0.633245 0.876428 Ti\n0.278817 0.995865 0.416836 Ti\n0.182574 0.705561 0.161699 Ti\n0.998521 0.003601 0.996352 Ti\n0.512763 0.998948 0.177224 Ti\n0.820562 0.290902 0.839966 Ti\n0.576154 0.620623 0.273595 Ti\n0.480115 0.998099 0.824236 Ti\n0.720969 0.001744 0.583147 Ti\n0.212342 0.312669 0.986690 Si\n0.792101 0.686428 0.015262 Si\n0.924478 0.970050 0.278073 Sb\n0.073272 0.027040 0.721987 Sb\n0.777280 0.370391 0.246928 O\n0.119705 0.412669 0.410101 O\n0.905367 0.371150 0.985896 O\n0.280274 0.127717 0.960293 O\n0.881952 0.584623 0.591423 O\n0.226961 0.626557 0.754439 O\n0.877900 0.142048 0.488811 O\n0.122074 0.855817 0.512397 O\n0.726049 0.870850 0.043258 O\n0.208248 0.931426 0.132589 O\n0.276005 0.348585 0.102587 O\n0.950684 0.609967 0.252115 O\n0.633106 0.856532 0.492903 O\n0.719885 0.143684 0.101754 O\n0.590457 0.614474 0.105332 O\n0.099315 0.626867 0.016096 O\n0.278321 0.852563 0.900797 O\n0.788284 0.064316 0.867118 O\n0.368614 0.140304 0.507768 O\n0.305380 0.159689 0.287485 O\n0.695142 0.838076 0.712779 O\n0.413272 0.383764 0.895932 O\n0.512265 0.146751 0.705171 O\n0.541126 0.413484 0.584669 O\n0.727932 0.651772 0.899161 O\n0.486033 0.849494 0.295474 O\n0.050974 0.387613 0.749336 O\n0.460365 0.583554 0.416817 O\n",
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},
{
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{
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}