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{
"id": "mp-616232",
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"structure_string": "Tl4 Cr16 Bi4 O56\n1.0\n17.269487 0.000000 0.000000\n0.000000 8.403941 0.000000\n0.000000 0.253344 8.773834\nTl Cr Bi O\n4 16 4 56\ndirect\n0.624439 0.235556 0.499716 Tl\n0.875561 0.735556 0.499716 Tl\n0.375561 0.764444 0.500284 Tl\n0.124439 0.264444 0.500284 Tl\n0.052218 0.631439 0.274450 Cr\n0.316099 0.417444 0.218191 Cr\n0.447782 0.131439 0.274450 Cr\n0.440911 0.412325 0.794070 Cr\n0.704368 0.833692 0.237244 Cr\n0.940911 0.087675 0.205930 Cr\n0.559089 0.587675 0.205930 Cr\n0.795632 0.333692 0.237244 Cr\n0.683901 0.582556 0.781809 Cr\n0.295632 0.166308 0.762756 Cr\n0.816099 0.082556 0.781809 Cr\n0.204368 0.666308 0.762756 Cr\n0.059089 0.912325 0.794070 Cr\n0.947782 0.368561 0.725550 Cr\n0.183901 0.917444 0.218191 Cr\n0.552218 0.868561 0.725550 Cr\n0.623236 0.208441 0.992704 Bi\n0.123236 0.291559 0.007296 Bi\n0.376764 0.791559 0.007296 Bi\n0.876764 0.708441 0.992704 Bi\n0.707558 0.941496 0.385377 O\n0.899648 0.531483 0.770775 O\n0.537261 0.132040 0.205794 O\n0.159825 0.111593 0.209909 O\n0.294778 0.727335 0.802375 O\n0.015947 0.006371 0.656297 O\n0.207558 0.558504 0.614623 O\n0.778733 0.124241 0.618530 O\n0.854124 0.165643 0.282758 O\n0.503583 0.731267 0.136325 O\n0.665567 0.932627 0.093801 O\n0.100802 0.798269 0.192950 O\n0.417818 0.538463 0.928780 O\n0.792442 0.441496 0.385377 O\n0.334433 0.067373 0.906199 O\n0.278733 0.375759 0.381470 O\n0.917818 0.961537 0.071220 O\n0.705222 0.272665 0.197625 O\n0.996417 0.231267 0.136325 O\n0.340175 0.611593 0.209909 O\n0.165567 0.567373 0.906199 O\n0.082182 0.038463 0.928780 O\n0.984053 0.993629 0.343703 O\n0.037261 0.367960 0.794206 O\n0.515947 0.493629 0.343703 O\n0.582182 0.461537 0.071220 O\n0.600802 0.701731 0.807050 O\n0.659825 0.388407 0.790091 O\n0.354124 0.334357 0.717242 O\n0.600352 0.031483 0.770775 O\n0.221267 0.875759 0.381470 O\n0.899198 0.201731 0.807050 O\n0.399648 0.968517 0.229225 O\n0.840175 0.888407 0.790091 O\n0.205222 0.227335 0.802375 O\n0.834433 0.432627 0.093801 O\n0.100352 0.468517 0.229225 O\n0.721267 0.624241 0.618530 O\n0.951613 0.358968 0.542917 O\n0.962739 0.632040 0.205794 O\n0.254728 0.373512 0.083283 O\n0.245272 0.873512 0.083283 O\n0.548387 0.858968 0.542917 O\n0.754728 0.126488 0.916717 O\n0.484053 0.506371 0.656297 O\n0.048387 0.641032 0.457083 O\n0.003583 0.768733 0.863675 O\n0.745272 0.626488 0.916717 O\n0.496417 0.268733 0.863675 O\n0.292442 0.058504 0.614623 O\n0.145876 0.834357 0.717242 O\n0.645876 0.665643 0.282758 O\n0.462739 0.867960 0.794206 O\n0.451613 0.141032 0.457083 O\n0.399198 0.298269 0.192950 O\n0.794778 0.772665 0.197625 O\n",
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"elements": [
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"density": 4.409491494960729,
"density_atomic": 0.06282581658439332,
"volume": 1273.3618812982202,
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"formula_full": "Tl4 Cr16 Bi4 O56",
"formula_reduced": "TlCr4BiO14",
"formula_anonymous": "ABC4D14",
"energy": -585.2432846400001,
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"updated_at": "2021-11-28T01:37:30.119000Z",
"spacegroup": 14
},
{
"id": "mp-1102236",
"created_at": "2022-09-04T14:46:17.809623Z",
"structure_string": "Tm4 Fe8\n1.0\n5.092853 0.000000 0.000000\n-2.546427 4.410540 0.000000\n0.000000 0.000000 8.274256\nTm Fe\n4 8\ndirect\n0.333333 0.666667 0.437799 Tm\n0.666667 0.333333 0.562201 Tm\n0.666667 0.333333 0.937799 Tm\n0.333333 0.666667 0.062201 Tm\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.833910 0.166090 0.250000 Fe\n0.833910 0.667821 0.250000 Fe\n0.332179 0.166090 0.250000 Fe\n0.166090 0.833910 0.750000 Fe\n0.166090 0.332179 0.750000 Fe\n0.667821 0.833910 0.750000 Fe\n",
"nsites": 12,
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"elements": [
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"density": 10.028878386991996,
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"volume": 185.85825682886872,
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"formula_full": "Tm4 Fe8",
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{
"id": "mp-1105176",
"created_at": "2022-09-04T14:46:14.804246Z",
"structure_string": "Rb2 Bi4 Br14\n1.0\n7.819598 0.000000 0.000000\n2.290466 9.579004 0.000000\n1.130431 2.402814 10.369234\nRb Bi Br\n2 4 14\ndirect\n0.388392 0.860283 0.306705 Rb\n0.611608 0.139717 0.693295 Rb\n0.870642 0.642524 0.624442 Bi\n0.129358 0.357476 0.375558 Bi\n0.308351 0.705253 0.933630 Bi\n0.691649 0.294747 0.066370 Bi\n0.874406 0.868813 0.425022 Br\n0.125594 0.131187 0.574978 Br\n0.965541 0.792793 0.792482 Br\n0.034459 0.207207 0.207518 Br\n0.505279 0.772847 0.667934 Br\n0.494721 0.227153 0.332066 Br\n0.765648 0.484504 0.451540 Br\n0.234352 0.515496 0.548460 Br\n0.883544 0.348802 0.832636 Br\n0.116456 0.651198 0.167364 Br\n0.277244 0.978292 0.945593 Br\n0.722756 0.021708 0.054407 Br\n0.618177 0.622569 0.066907 Br\n0.381823 0.377431 0.933093 Br\n",
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"elements": [
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"volume": 776.6966941627063,
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"formula_full": "Rb2 Bi4 Br14",
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"formula_anonymous": "AB2C7",
"energy": -67.29192084,
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"updated_at": "2021-11-28T01:37:30.340000Z",
"spacegroup": 2
},
{
"id": "mp-552674",
"created_at": "2022-09-04T14:46:14.108660Z",
"structure_string": "Zr1 Ta1 N1 O1\n1.0\n1.834794 -3.177956 0.000000\n1.834794 3.177956 0.000000\n0.000000 0.000000 4.554511\nZr Ta N O\n1 1 1 1\ndirect\n0.666667 0.333333 0.000000 Zr\n0.000000 0.000000 0.500000 Ta\n0.333333 0.666667 0.500000 N\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-559151",
"created_at": "2022-09-04T14:46:12.519415Z",
"structure_string": "Ba2 Sr2 Ta4 O14\n1.0\n-2.014842 3.954054 10.264294\n2.014842 -3.954054 10.264294\n2.014842 3.954054 -10.264294\nBa Sr Ta O\n2 2 4 14\ndirect\n0.238021 0.738021 0.500000 Ba\n0.761979 0.261979 0.500000 Ba\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.854456 0.102686 0.751769 Ta\n0.350917 0.102686 0.248231 Ta\n0.145544 0.897314 0.248231 Ta\n0.649083 0.897314 0.751769 Ta\n0.920443 0.920443 0.000000 O\n0.154617 0.407441 0.747177 O\n0.339736 0.592559 0.747177 O\n0.010644 0.807454 0.203190 O\n0.712681 0.000000 0.712681 O\n0.660264 0.407441 0.252823 O\n0.395736 0.192546 0.203190 O\n0.287319 0.000000 0.287319 O\n0.989356 0.192546 0.796810 O\n0.387345 0.887345 0.500000 O\n0.079557 0.079557 0.000000 O\n0.845383 0.592559 0.252823 O\n0.604264 0.807454 0.796810 O\n0.612655 0.112655 0.500000 O\n",
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{
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"structure_string": "La1 V1 O3\n1.0\n3.950068 0.000000 0.000000\n0.000000 3.950068 0.000000\n0.000000 0.000000 3.950068\nLa V O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
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