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{
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{
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"structure_string": "Bi1 Te3\n1.0\n8.384649 -2.158399 0.000000\n8.384649 2.158399 0.000000\n7.829028 0.000000 3.696938\nBi Te\n1 3\ndirect\n0.607435 0.607435 0.607435 Bi\n0.776523 0.776523 0.776523 Te\n0.022723 0.022723 0.022723 Te\n0.194820 0.194820 0.194820 Te\n",
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"updated_at": "2021-11-28T01:37:09.536000Z",
"spacegroup": 160
},
{
"id": "mp-1034788",
"created_at": "2022-09-04T14:45:57.500397Z",
"structure_string": "Mg14 Cd1 Si1 O16\n1.0\n8.691420 0.000000 0.000000\n0.000000 8.610643 0.000000\n0.000000 0.000000 4.344231\nMg Cd Si O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.247433 0.500000 Mg\n-0.000000 0.752567 0.500000 Mg\n0.500000 0.249524 0.500000 Mg\n0.500000 0.750476 0.500000 Mg\n0.253256 -0.000000 0.500000 Mg\n0.255487 0.500000 0.500000 Mg\n0.746744 0.000000 0.500000 Mg\n0.744513 0.500000 0.500000 Mg\n0.255126 0.248659 -0.000000 Mg\n0.255126 0.751341 -0.000000 Mg\n0.744874 0.248659 0.000000 Mg\n0.744874 0.751341 -0.000000 Mg\n-0.000000 0.500000 0.000000 Cd\n-0.000000 0.000000 0.000000 Si\n0.263795 -0.000000 0.000000 O\n0.266466 0.500000 0.000000 O\n0.736205 0.000000 0.000000 O\n0.733534 0.500000 0.000000 O\n0.248752 0.250019 0.500000 O\n0.248752 0.749981 0.500000 O\n0.751248 0.250019 0.500000 O\n0.751248 0.749981 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.238571 0.000000 O\n-0.000000 0.761429 -0.000000 O\n0.500000 0.249240 0.000000 O\n0.500000 0.750760 0.000000 O\n",
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"elements": [
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"formula_full": "Mg14 Cd1 Si1 O16",
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{
"id": "mp-1038569",
"created_at": "2022-09-04T14:45:57.501322Z",
"structure_string": "Hf1 Mg30 Cr1 O32\n1.0\n8.637645 0.000000 0.000000\n0.000000 8.637645 0.000000\n0.000000 0.000000 8.616986\nHf Mg Cr O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.241274 0.241274 0.000000 Mg\n0.758726 0.241274 0.000000 Mg\n0.241274 0.758726 0.000000 Mg\n0.758726 0.758726 0.000000 Mg\n0.247850 0.247850 0.500000 Mg\n0.752150 0.247850 0.500000 Mg\n0.247850 0.752150 0.500000 Mg\n0.752150 0.752150 0.500000 Mg\n0.247479 0.000000 0.250321 Mg\n0.752521 0.000000 0.250321 Mg\n0.242331 0.500000 0.256427 Mg\n0.757669 0.500000 0.256427 Mg\n0.247479 0.000000 0.749679 Mg\n0.752521 0.000000 0.749679 Mg\n0.242331 0.500000 0.743573 Mg\n0.757669 0.500000 0.743573 Mg\n0.000000 0.247479 0.250321 Mg\n0.500000 0.242331 0.256427 Mg\n0.000000 0.752521 0.250321 Mg\n0.500000 0.757669 0.256427 Mg\n0.000000 0.247479 0.749679 Mg\n0.500000 0.242331 0.743573 Mg\n0.000000 0.752521 0.749679 Mg\n0.500000 0.757669 0.743573 Mg\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.266083 O\n0.500000 0.000000 0.252422 O\n0.000000 0.500000 0.252422 O\n0.500000 0.500000 0.244816 O\n0.000000 0.000000 0.733917 O\n0.500000 0.000000 0.747578 O\n0.000000 0.500000 0.747578 O\n0.500000 0.500000 0.755184 O\n0.251120 0.251120 0.249023 O\n0.748880 0.251120 0.249023 O\n0.251120 0.748880 0.249023 O\n0.748880 0.748880 0.249023 O\n0.251120 0.251120 0.750977 O\n0.748880 0.251120 0.750977 O\n0.251120 0.748880 0.750977 O\n0.748880 0.748880 0.750977 O\n0.269489 0.000000 0.000000 O\n0.730511 0.000000 0.000000 O\n0.257705 0.500000 0.000000 O\n0.742295 0.500000 0.000000 O\n0.253398 0.000000 0.500000 O\n0.746602 0.000000 0.500000 O\n0.252637 0.500000 0.500000 O\n0.747363 0.500000 0.500000 O\n0.000000 0.269489 0.000000 O\n0.500000 0.257705 0.000000 O\n0.000000 0.730511 0.000000 O\n0.500000 0.742295 0.000000 O\n0.000000 0.253398 0.500000 O\n0.500000 0.252637 0.500000 O\n0.000000 0.746602 0.500000 O\n0.500000 0.747363 0.500000 O\n",
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"elements": [
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"density": 3.800999170728228,
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"volume": 642.9039428205413,
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"formula_full": "Hf1 Mg30 Cr1 O32",
"formula_reduced": "HfMg30CrO32",
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"spacegroup": 123
},
{
"id": "mp-554886",
"created_at": "2022-09-04T14:45:57.511661Z",
"structure_string": "Ba3 Nb2 P4 O18\n1.0\n4.971694 0.000000 0.000000\n-1.852421 -9.004472 0.000000\n-1.880553 0.113687 -9.499329\nBa Nb P O\n3 2 4 18\ndirect\n0.047830 0.282811 0.910542 Ba\n0.500000 0.500000 0.500000 Ba\n0.952170 0.717189 0.089458 Ba\n0.743572 0.891655 0.728533 Nb\n0.256428 0.108345 0.271467 Nb\n0.808252 0.366294 0.217457 P\n0.690599 0.865436 0.359482 P\n0.309401 0.134564 0.640518 P\n0.191748 0.633706 0.782543 P\n0.557637 0.004714 0.362806 O\n0.011078 0.506273 0.687177 O\n0.737653 0.937876 0.905166 O\n0.242293 0.191840 0.489549 O\n0.961646 0.233439 0.210714 O\n0.970429 0.922449 0.303147 O\n0.456356 0.694666 0.715065 O\n0.277756 0.586376 0.935061 O\n0.262347 0.062124 0.094834 O\n0.442363 0.995286 0.637194 O\n0.490100 0.256835 0.741181 O\n0.757707 0.808160 0.510451 O\n0.038354 0.766561 0.789286 O\n0.029571 0.077551 0.696853 O\n0.722244 0.413624 0.064939 O\n0.988922 0.493727 0.312823 O\n0.509900 0.743165 0.258819 O\n0.543644 0.305334 0.284935 O\n",
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"formula_full": "Ba3 Nb2 P4 O18",
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{
"id": "mp-1220803",
"created_at": "2022-09-04T14:45:57.515117Z",
"structure_string": "Na2 La2 Sc2 Sb2 O12\n1.0\n5.704027 0.000000 0.000000\n0.000000 5.687076 0.000000\n0.000000 5.662666 8.004010\nNa La Sc Sb O\n2 2 2 2 12\ndirect\n0.245674 0.256553 0.749749 Na\n0.754326 0.256553 0.249749 Na\n0.260333 0.735158 0.250144 La\n0.739667 0.735158 0.750144 La\n0.248990 0.996477 0.502263 Sc\n0.751010 0.996477 0.002263 Sc\n0.751347 0.500497 0.498932 Sb\n0.248653 0.500497 0.998932 Sb\n0.754835 0.162823 0.741690 O\n0.245165 0.162823 0.241690 O\n0.742755 0.825309 0.256184 O\n0.257245 0.825309 0.756184 O\n0.980057 0.709348 0.548418 O\n0.019943 0.709348 0.048418 O\n0.507920 0.301294 0.452602 O\n0.492080 0.301294 0.952602 O\n0.501567 0.691387 0.547886 O\n0.498433 0.691387 0.047886 O\n0.011235 0.321154 0.452132 O\n0.988765 0.321154 0.952132 O\n",
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{
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"created_at": "2022-09-04T14:45:57.516531Z",
"structure_string": "Mg4 Ti4 O8\n1.0\n1.441602 7.920209 0.000000\n-1.441602 7.920209 0.000000\n0.000000 6.486955 7.846326\nMg Ti O\n4 4 8\ndirect\n0.678623 0.678623 0.280235 Mg\n0.321377 0.321377 0.719765 Mg\n0.975782 0.975782 0.387103 Mg\n0.024218 0.024218 0.612897 Mg\n0.389203 0.389203 0.944859 Ti\n0.817135 0.817135 0.357724 Ti\n0.182865 0.182865 0.642276 Ti\n0.610797 0.610797 0.055141 Ti\n0.154851 0.154851 0.885508 O\n0.547033 0.547033 0.740954 O\n0.452967 0.452967 0.259046 O\n0.845149 0.845149 0.114492 O\n0.852443 0.852443 0.834535 O\n0.193330 0.193330 0.416662 O\n0.147557 0.147557 0.165465 O\n0.806670 0.806670 0.583338 O\n",
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{
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