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{
"id": "mp-554059",
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"structure_string": "Sr4 U2 Zn2 O12\n1.0\n5.918752 0.000000 0.000000\n0.000000 5.847873 0.000000\n0.000000 5.848370 8.265803\nSr U Zn O\n4 2 2 12\ndirect\n0.961898 0.754032 0.250951 Sr\n0.461898 0.245968 0.249049 Sr\n0.038102 0.245968 0.749049 Sr\n0.538102 0.754032 0.750951 Sr\n0.500000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.478676 0.321202 0.752083 O\n0.212069 0.160874 0.039453 O\n0.700728 0.253242 0.036038 O\n0.787931 0.839126 0.960547 O\n0.299272 0.746758 0.963962 O\n0.521324 0.678798 0.247917 O\n0.978676 0.678798 0.747917 O\n0.712069 0.839126 0.460547 O\n0.200728 0.746758 0.463962 O\n0.021324 0.321202 0.252083 O\n0.287931 0.160874 0.539453 O\n0.799272 0.253242 0.536038 O\n",
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{
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"structure_string": "Sr6 U2 Te8 O28\n1.0\n2.868627 10.510418 0.000000\n-2.868627 10.510418 0.000000\n0.000000 0.871370 13.214857\nSr U Te O\n6 2 8 28\ndirect\n0.293855 0.827522 0.941914 Sr\n0.827522 0.293855 0.441914 Sr\n0.172478 0.706145 0.558086 Sr\n0.721451 0.278549 0.750000 Sr\n0.706145 0.172478 0.058086 Sr\n0.278549 0.721451 0.250000 Sr\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.538139 0.113152 0.663517 Te\n0.825613 0.375589 0.127337 Te\n0.461861 0.886848 0.336483 Te\n0.375589 0.825613 0.627337 Te\n0.624411 0.174387 0.372663 Te\n0.113152 0.538139 0.163517 Te\n0.174387 0.624411 0.872663 Te\n0.886848 0.461861 0.836483 Te\n0.925421 0.259958 0.865150 O\n0.723118 0.458212 0.264971 O\n0.352931 0.304253 0.059124 O\n0.074579 0.740042 0.134850 O\n0.465636 0.454058 0.413685 O\n0.695747 0.647069 0.440876 O\n0.936017 0.977213 0.384189 O\n0.171328 0.266084 0.904255 O\n0.063983 0.022787 0.615811 O\n0.534364 0.545942 0.586315 O\n0.541788 0.276882 0.235029 O\n0.961847 0.654032 0.396301 O\n0.458212 0.723118 0.764971 O\n0.345968 0.038153 0.103699 O\n0.654032 0.961847 0.896301 O\n0.259958 0.925421 0.365150 O\n0.977213 0.936017 0.884189 O\n0.647069 0.695747 0.940876 O\n0.740042 0.074579 0.634850 O\n0.545942 0.534364 0.086315 O\n0.454058 0.465636 0.913685 O\n0.304253 0.352931 0.559124 O\n0.828672 0.733916 0.095745 O\n0.733916 0.828672 0.595745 O\n0.022787 0.063983 0.115811 O\n0.266084 0.171328 0.404255 O\n0.276882 0.541788 0.735029 O\n0.038153 0.345968 0.603699 O\n",
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"volume": 796.8682688322601,
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"formula_full": "Sr6 U2 Te8 O28",
"formula_reduced": "Sr3U(Te2O7)2",
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"spacegroup": 15
},
{
"id": "mp-1193769",
"created_at": "2022-09-04T14:46:04.309883Z",
"structure_string": "Sr2 U2 Se4 O20\n1.0\n7.653738 0.000000 0.000000\n-2.181264 8.095621 0.000000\n-2.819510 -3.596468 8.293962\nSr U Se O\n2 2 4 20\ndirect\n0.821068 0.753814 0.972458 Sr\n0.178932 0.246186 0.027542 Sr\n0.820283 0.322456 0.555618 U\n0.179717 0.677544 0.444382 U\n0.740187 0.924614 0.639395 Se\n0.259813 0.075386 0.360605 Se\n0.311817 0.421558 0.719746 Se\n0.688183 0.578442 0.280254 Se\n0.800946 0.510176 0.705436 O\n0.199054 0.489824 0.294564 O\n0.849773 0.139759 0.417674 O\n0.150227 0.860241 0.582326 O\n0.711748 0.129905 0.664766 O\n0.288252 0.870095 0.335234 O\n0.126664 0.321380 0.772162 O\n0.873336 0.678620 0.227838 O\n0.160454 0.506198 0.602772 O\n0.839546 0.493802 0.397228 O\n0.470024 0.603839 0.887219 O\n0.529976 0.396161 0.112781 O\n0.509608 0.780822 0.604997 O\n0.490392 0.219178 0.395003 O\n0.873978 0.965194 0.836082 O\n0.126022 0.034806 0.163918 O\n0.568432 0.988054 0.043534 O\n0.431568 0.011946 0.956466 O\n0.920365 0.440348 0.984194 O\n0.079635 0.559652 0.015806 O\n",
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"elements": [
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"formula_full": "Sr2 U2 Se4 O20",
"formula_reduced": "SrU(SeO5)2",
"formula_anonymous": "ABC2D10",
"energy": -189.2540336,
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"updated_at": "2021-11-28T01:37:17.634000Z",
"spacegroup": 2
},
{
"id": "mp-556481",
"created_at": "2022-09-04T14:41:05.610487Z",
"structure_string": "Sr2 U2 Se4 O16\n1.0\n5.799096 0.004682 -0.391754\n-2.420013 6.207336 -1.751872\n-0.035968 -0.021135 11.472999\nSr U Se O\n2 2 4 16\ndirect\n0.331926 0.751265 0.562548 Sr\n0.668074 0.248735 0.437452 Sr\n0.168932 0.262656 0.163204 U\n0.831068 0.737344 0.836796 U\n0.698667 0.191090 0.877671 Se\n0.727517 0.691766 0.341689 Se\n0.301333 0.808910 0.122329 Se\n0.272483 0.308234 0.658311 Se\n0.093159 0.865112 0.029692 O\n0.119413 0.583412 0.157659 O\n0.562771 0.665312 0.910952 O\n0.437229 0.334688 0.089048 O\n0.919836 0.622052 0.426845 O\n0.681453 0.979965 0.752736 O\n0.095685 0.810049 0.757047 O\n0.674444 0.894047 0.442532 O\n0.904315 0.189951 0.242953 O\n0.906841 0.134888 0.970308 O\n0.080164 0.377948 0.573155 O\n0.318547 0.020035 0.247264 O\n0.325556 0.105953 0.557468 O\n0.559654 0.521324 0.658588 O\n0.440346 0.478676 0.341412 O\n0.880587 0.416588 0.842341 O\n",
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"formula_full": "Sr2 U2 Se4 O16",
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{
"id": "mp-1382260",
"created_at": "2022-09-04T14:40:10.427921Z",
"structure_string": "Sr2 U2 Se4 O16\n1.0\n5.812316 0.000000 0.000000\n-2.291431 6.496605 0.000000\n-0.809191 -3.386011 10.932136\nSr U Se O\n2 2 4 16\ndirect\n0.769379 0.188718 0.562548 Sr\n0.230621 0.811282 0.437452 Sr\n0.005728 0.099453 0.163204 U\n0.994272 0.900547 0.836796 U\n0.820995 0.313419 0.877671 Se\n0.385828 0.350077 0.341689 Se\n0.179005 0.686581 0.122329 Se\n0.614172 0.649923 0.658311 Se\n0.063468 0.835420 0.029692 O\n0.961754 0.425753 0.157659 O\n0.651819 0.754360 0.910952 O\n0.348181 0.245640 0.089048 O\n0.492991 0.195207 0.426845 O\n0.928717 0.227228 0.752736 O\n0.338639 0.053002 0.757047 O\n0.231912 0.451515 0.442532 O\n0.661361 0.946998 0.242953 O\n0.936532 0.164580 0.970308 O\n0.507009 0.804793 0.573155 O\n0.071283 0.772772 0.247264 O\n0.768088 0.548485 0.557468 O\n0.901066 0.862736 0.658588 O\n0.098934 0.137264 0.341412 O\n0.038246 0.574247 0.842341 O\n",
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"formula_full": "Sr2 U2 Se4 O16",
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{
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"structure_string": "Sr2 U2 Se4 O16\n1.0\n5.812316 0.000000 0.000000\n-2.291431 6.496605 0.000000\n-0.809191 -3.386011 10.932136\nSr U Se O\n2 2 4 16\ndirect\n0.206831 0.626170 0.562548 Sr\n0.793169 0.373830 0.437452 Sr\n0.842524 0.936249 0.163204 U\n0.157476 0.063751 0.836796 U\n0.943324 0.435747 0.877671 Se\n0.044139 0.008388 0.341689 Se\n0.056676 0.564253 0.122329 Se\n0.955861 0.991612 0.658311 Se\n0.033776 0.805729 0.029692 O\n0.804095 0.268094 0.157659 O\n0.740867 0.843408 0.910952 O\n0.259133 0.156592 0.089048 O\n0.066146 0.768363 0.426845 O\n0.175981 0.474492 0.752736 O\n0.581592 0.295956 0.757047 O\n0.789380 0.008982 0.442532 O\n0.418408 0.704044 0.242953 O\n0.966224 0.194271 0.970308 O\n0.933854 0.231637 0.573155 O\n0.824019 0.525508 0.247264 O\n0.210620 0.991018 0.557468 O\n0.242479 0.204149 0.658588 O\n0.757521 0.795851 0.341412 O\n0.195905 0.731906 0.842341 O\n",
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"formula_full": "Sr2 U2 Se4 O16",
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{
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"structure_string": "Sr1 U3 Se2 O18\n1.0\n3.569241 8.647715 0.000000\n-3.569241 8.647715 0.000000\n0.000000 1.087551 6.861335\nSr U Se O\n1 3 2 18\ndirect\n0.334347 0.665653 0.500000 Sr\n0.392491 0.393706 0.046769 U\n0.606294 0.607509 0.953231 U\n0.002127 0.997873 0.000000 U\n0.204691 0.207259 0.885320 Se\n0.792741 0.795309 0.114680 Se\n0.317437 0.682563 0.000000 O\n0.685196 0.314804 0.000000 O\n0.021681 0.977472 0.264844 O\n0.022528 0.978319 0.735156 O\n0.383592 0.407927 0.778179 O\n0.592073 0.616408 0.221821 O\n0.383980 0.408684 0.313179 O\n0.591316 0.616020 0.686821 O\n0.961428 0.309814 0.939296 O\n0.306612 0.964226 0.942406 O\n0.035774 0.693388 0.057594 O\n0.690186 0.038572 0.060704 O\n0.252533 0.257077 0.081535 O\n0.742923 0.747467 0.918465 O\n0.962602 0.650641 0.534982 O\n0.349359 0.037398 0.465018 O\n0.497258 0.001069 0.503252 O\n0.998931 0.502742 0.496748 O\n",
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{
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"structure_string": "Sr4 U4 P8 S32\n1.0\n11.263501 0.000000 0.000000\n0.000000 11.263501 0.000000\n0.000000 0.000000 9.636424\nSr U P S\n4 4 8 32\ndirect\n0.500000 0.000000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.000000 0.500000 0.750000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.500000 0.750000 U\n0.500000 0.500000 0.250000 U\n0.000000 0.000000 0.750000 U\n0.000000 0.000000 0.250000 U\n0.464238 0.263193 0.500000 P\n0.736807 0.464238 0.000000 P\n0.964238 0.236807 0.500000 P\n0.763193 0.964238 0.000000 P\n0.535762 0.736807 0.500000 P\n0.263193 0.535762 0.000000 P\n0.035762 0.763193 0.500000 P\n0.236807 0.035762 0.000000 P\n0.272369 0.432485 0.823671 S\n0.567515 0.272369 0.323671 S\n0.772369 0.067515 0.823671 S\n0.932485 0.772369 0.323671 S\n0.272369 0.432485 0.176329 S\n0.567515 0.272369 0.676329 S\n0.772369 0.067515 0.176329 S\n0.932485 0.772369 0.676329 S\n0.727631 0.567515 0.176329 S\n0.432485 0.727631 0.676329 S\n0.227631 0.932485 0.176329 S\n0.067515 0.227631 0.676329 S\n0.727631 0.567515 0.823671 S\n0.432485 0.727631 0.323671 S\n0.227631 0.932485 0.823671 S\n0.067515 0.227631 0.323671 S\n0.368140 0.420373 0.500000 S\n0.579627 0.368140 0.000000 S\n0.868140 0.079627 0.500000 S\n0.920373 0.868140 0.000000 S\n0.631860 0.579627 0.500000 S\n0.420373 0.631860 0.000000 S\n0.131860 0.920373 0.500000 S\n0.079627 0.131860 0.000000 S\n0.367459 0.112660 0.500000 S\n0.887340 0.367459 0.000000 S\n0.867459 0.387340 0.500000 S\n0.612660 0.867459 0.000000 S\n0.632541 0.887340 0.500000 S\n0.112660 0.632541 0.000000 S\n0.132541 0.612660 0.500000 S\n0.387340 0.132541 0.000000 S\n",
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{
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{
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}