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{
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{
"id": "mp-705414",
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"structure_string": "Fe13 O14\n1.0\n5.576170 -4.056039 0.000000\n5.576170 4.056039 0.000000\n2.625856 0.000000 6.375736\nFe O\n13 14\ndirect\n0.500000 0.500000 0.500000 Fe\n0.413326 0.719914 0.861636 Fe\n0.861636 0.413326 0.719914 Fe\n0.933919 0.205574 0.342942 Fe\n0.066081 0.794426 0.657058 Fe\n0.280086 0.138364 0.586674 Fe\n0.342942 0.933919 0.205574 Fe\n0.719914 0.861636 0.413326 Fe\n0.794426 0.657058 0.066081 Fe\n0.138364 0.586674 0.280086 Fe\n0.205574 0.342942 0.933919 Fe\n0.586674 0.280086 0.138364 Fe\n0.657058 0.066081 0.794426 Fe\n0.256337 0.256337 0.256337 O\n0.661950 0.963860 0.112435 O\n0.743663 0.743663 0.743663 O\n0.112435 0.661950 0.963860 O\n0.190123 0.473243 0.603327 O\n0.526757 0.396673 0.809877 O\n0.603327 0.190123 0.473243 O\n0.963860 0.112435 0.661950 O\n0.036140 0.887565 0.338050 O\n0.396673 0.809877 0.526757 O\n0.473243 0.603327 0.190123 O\n0.809877 0.526757 0.396673 O\n0.887565 0.338050 0.036140 O\n0.338050 0.036140 0.887565 O\n",
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{
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"created_at": "2022-09-04T14:40:57.544225Z",
"structure_string": "Mg13 Al14\n1.0\n-5.098661 5.098661 5.098661\n5.098661 -5.098661 5.098661\n5.098661 5.098661 -5.098661\nMg Al\n13 14\ndirect\n0.000000 0.000000 0.000000 Mg\n0.312612 0.656306 0.656306 Mg\n0.343694 0.000000 0.656306 Mg\n0.000000 0.343694 0.656306 Mg\n0.656306 0.312612 0.656306 Mg\n0.656306 0.343694 0.000000 Mg\n0.343694 0.656306 0.000000 Mg\n0.656306 0.000000 0.343694 Mg\n0.343694 0.687388 0.343694 Mg\n0.687388 0.343694 0.343694 Mg\n0.000000 0.656306 0.343694 Mg\n0.343694 0.343694 0.687388 Mg\n0.656306 0.656306 0.312612 Mg\n0.000000 0.658309 0.000000 Al\n0.658309 0.658309 0.658309 Al\n0.658309 0.000000 0.000000 Al\n0.000000 0.341691 0.000000 Al\n0.341691 0.000000 0.000000 Al\n0.000000 0.000000 0.341691 Al\n0.341691 0.341691 0.341691 Al\n0.699953 0.699953 0.000000 Al\n0.300047 0.000000 0.300047 Al\n0.699953 0.000000 0.699953 Al\n0.000000 0.699953 0.699953 Al\n0.000000 0.300047 0.300047 Al\n0.300047 0.300047 0.000000 Al\n0.000000 0.000000 0.658309 Al\n",
"nsites": 27,
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"elements": [
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"density": 2.1726835822780326,
"density_atomic": 0.05092550686097097,
"volume": 530.1861810371622,
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"formula_full": "Mg13 Al14",
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"spacegroup": 229
},
{
"id": "mp-777836",
"created_at": "2022-09-04T14:43:58.595044Z",
"structure_string": "Li14 Co13 O28\n1.0\n7.499182 0.000000 0.000000\n-2.145217 7.768605 0.000000\n-2.145559 -2.555188 7.875040\nLi Co O\n14 13 28\ndirect\n0.932656 0.276513 0.208214 Li\n0.857318 0.070901 0.431767 Li\n0.644887 0.429437 0.072596 Li\n0.577742 0.216799 0.288832 Li\n0.793039 0.860525 0.654104 Li\n0.500000 0.000000 0.500000 Li\n0.723945 0.654576 0.860876 Li\n0.276055 0.345424 0.139124 Li\n0.206961 0.139475 0.345896 Li\n0.422258 0.783201 0.711168 Li\n0.000000 0.500000 0.000000 Li\n0.355113 0.570563 0.927404 Li\n0.142682 0.929099 0.568233 Li\n0.067344 0.723487 0.791786 Li\n0.929146 0.789421 0.211573 Co\n0.857618 0.572031 0.428848 Co\n0.646157 0.929131 0.070455 Co\n0.786008 0.356468 0.643768 Co\n0.571651 0.713815 0.284604 Co\n0.719993 0.139246 0.860337 Co\n0.500000 0.500000 0.500000 Co\n0.280007 0.860754 0.139663 Co\n0.428349 0.286185 0.715396 Co\n0.213992 0.643532 0.356232 Co\n0.353843 0.070869 0.929545 Co\n0.142382 0.427969 0.571152 Co\n0.070854 0.210579 0.788427 Co\n0.907767 0.015138 0.211711 O\n0.937306 0.553370 0.230101 O\n0.865417 0.337464 0.444103 O\n0.637597 0.162929 0.057031 O\n0.847812 0.804195 0.412059 O\n0.652322 0.694325 0.083426 O\n0.982868 0.246880 0.976768 O\n0.794287 0.120027 0.658014 O\n0.777300 0.591341 0.629993 O\n0.580512 0.480577 0.300431 O\n0.558778 0.945201 0.268107 O\n0.704352 0.373412 0.842420 O\n0.508840 0.266101 0.516162 O\n0.300504 0.090702 0.135268 O\n0.699496 0.909298 0.864732 O\n0.491160 0.733899 0.483838 O\n0.295648 0.626588 0.157580 O\n0.441222 0.054799 0.731893 O\n0.419488 0.519423 0.699569 O\n0.222700 0.408659 0.370007 O\n0.205713 0.879973 0.341986 O\n0.017132 0.753120 0.023232 O\n0.347678 0.305675 0.916574 O\n0.152188 0.195805 0.587941 O\n0.362403 0.837071 0.942969 O\n0.134583 0.662536 0.555897 O\n0.062694 0.446630 0.769899 O\n0.092233 0.984862 0.788289 O\n",
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"Co",
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],
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"density": 4.746109191389288,
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"formula_full": "Li14 Co13 O28",
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"formula_anonymous": "A13B14C28",
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"spacegroup": 2
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{
"id": "mp-674504",
"created_at": "2022-09-04T14:42:46.254026Z",
"structure_string": "La13 Mn14 O42\n1.0\n6.072180 -6.906925 0.000000\n6.072180 6.906925 0.000000\n-1.784242 0.000000 9.021833\nLa Mn O\n13 14 42\ndirect\n0.392465 0.820193 0.538001 La\n0.963468 0.107982 0.678153 La\n0.538001 0.392465 0.820193 La\n0.107982 0.678153 0.963468 La\n0.678153 0.963468 0.107982 La\n0.180021 0.456685 0.597767 La\n0.750151 0.750151 0.750151 La\n0.820193 0.538001 0.392465 La\n0.320246 0.042616 0.902018 La\n0.902018 0.320246 0.042616 La\n0.456685 0.597767 0.180021 La\n0.042616 0.902018 0.320246 La\n0.597767 0.180021 0.456685 La\n0.001872 0.001872 0.001872 Mn\n0.565394 0.284844 0.145148 Mn\n0.145148 0.565394 0.284844 Mn\n0.713752 0.858874 0.427810 Mn\n0.284844 0.145148 0.565394 Mn\n0.786263 0.641734 0.072077 Mn\n0.858874 0.427810 0.713752 Mn\n0.354425 0.934726 0.215378 Mn\n0.427810 0.713752 0.858874 Mn\n0.934726 0.215378 0.354425 Mn\n0.498169 0.498169 0.498169 Mn\n0.072077 0.786263 0.641734 Mn\n0.641734 0.072077 0.786263 Mn\n0.215378 0.354425 0.934726 Mn\n0.673437 0.977349 0.599040 O\n0.113045 0.168611 0.953626 O\n0.246437 0.260761 0.742133 O\n0.405226 0.325898 0.016839 O\n0.691305 0.454788 0.102618 O\n0.820039 0.547691 0.885045 O\n0.974352 0.612494 0.167150 O\n0.168611 0.953626 0.113045 O\n0.260761 0.742133 0.246437 O\n0.391026 0.833927 0.030580 O\n0.448047 0.117432 0.183686 O\n0.540925 0.894108 0.308428 O\n0.742133 0.246437 0.260761 O\n0.833927 0.030580 0.391026 O\n0.894108 0.308428 0.540925 O\n0.953626 0.113045 0.168611 O\n0.016839 0.405226 0.325898 O\n0.117432 0.183686 0.448047 O\n0.317393 0.540678 0.407607 O\n0.407607 0.317393 0.540678 O\n0.468216 0.597189 0.686221 O\n0.540678 0.407607 0.317393 O\n0.597189 0.686221 0.468216 O\n0.686221 0.468216 0.597189 O\n0.885045 0.820039 0.547691 O\n0.977349 0.599040 0.673437 O\n0.037065 0.881029 0.827650 O\n0.102618 0.691305 0.454788 O\n0.167150 0.974352 0.612494 O\n0.256721 0.753635 0.740364 O\n0.454788 0.102618 0.691305 O\n0.547691 0.885045 0.820039 O\n0.612494 0.167150 0.974352 O\n0.740364 0.256721 0.753635 O\n0.827650 0.037065 0.881029 O\n0.030580 0.391026 0.833927 O\n0.183686 0.448047 0.117432 O\n0.308428 0.540925 0.894108 O\n0.599040 0.673437 0.977349 O\n0.753635 0.740364 0.256721 O\n0.881029 0.827650 0.037065 O\n0.325898 0.016839 0.405226 O\n",
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],
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"formula_full": "La13 Mn14 O42",
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"spacegroup": 146
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{
"id": "mp-867658",
"created_at": "2022-09-04T14:45:07.497222Z",
"structure_string": "La14 Mn13 O42\n1.0\n6.207212 -7.428968 0.000000\n6.207212 7.428968 0.000000\n-2.683986 0.000000 9.301358\nLa Mn O\n14 13 42\ndirect\n0.320723 0.036838 0.893446 La\n0.679277 0.963162 0.106554 La\n0.036838 0.893446 0.320723 La\n0.106554 0.679277 0.963162 La\n0.467464 0.605452 0.193188 La\n0.731307 0.731307 0.731307 La\n0.394548 0.806812 0.532536 La\n0.893446 0.320723 0.036838 La\n0.532536 0.394548 0.806812 La\n0.806812 0.532536 0.394548 La\n0.193188 0.467464 0.605452 La\n0.268693 0.268693 0.268693 La\n0.605452 0.193188 0.467464 La\n0.963162 0.106554 0.679277 La\n0.642855 0.071052 0.786540 Mn\n0.000000 0.000000 0.000000 Mn\n0.714922 0.860664 0.428211 Mn\n0.786540 0.642855 0.071052 Mn\n0.428211 0.714922 0.860664 Mn\n0.357145 0.928948 0.213460 Mn\n0.071052 0.786540 0.642855 Mn\n0.139336 0.571789 0.285078 Mn\n0.213460 0.357145 0.928948 Mn\n0.860664 0.428211 0.714922 Mn\n0.928948 0.213460 0.357145 Mn\n0.571789 0.285078 0.139336 Mn\n0.285078 0.139336 0.571789 Mn\n0.803193 0.029078 0.923235 O\n0.029078 0.923235 0.803193 O\n0.196807 0.970922 0.076765 O\n0.788194 0.055179 0.404608 O\n0.508277 0.912822 0.835622 O\n0.923235 0.803193 0.029078 O\n0.744081 0.781323 0.231655 O\n0.312492 0.065024 0.374364 O\n0.835622 0.508277 0.912822 O\n0.404608 0.788194 0.055179 O\n0.687508 0.934976 0.625636 O\n0.652512 0.483799 0.120012 O\n0.218677 0.768345 0.255919 O\n0.625636 0.687508 0.934976 O\n0.912822 0.835622 0.508277 O\n0.055179 0.404608 0.788194 O\n0.944821 0.595392 0.211806 O\n0.516201 0.879988 0.347488 O\n0.347488 0.516201 0.879988 O\n0.211806 0.944821 0.595392 O\n0.164378 0.491723 0.087178 O\n0.120012 0.652512 0.483799 O\n0.934976 0.625636 0.687508 O\n0.326126 0.549705 0.362043 O\n0.076765 0.196807 0.970922 O\n0.768345 0.255919 0.218677 O\n0.231655 0.744081 0.781323 O\n0.374364 0.312492 0.065024 O\n0.673874 0.450295 0.637957 O\n0.065024 0.374364 0.312492 O\n0.637957 0.673874 0.450295 O\n0.595392 0.211806 0.944821 O\n0.879988 0.347488 0.516201 O\n0.450295 0.637957 0.673874 O\n0.970922 0.076765 0.196807 O\n0.549705 0.362043 0.326126 O\n0.362043 0.326126 0.549705 O\n0.781323 0.231655 0.744081 O\n0.087178 0.164378 0.491723 O\n0.491723 0.087178 0.164378 O\n0.255919 0.218677 0.768345 O\n0.483799 0.120012 0.652512 O\n",
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"formula_full": "La14 Mn13 O42",
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{
"id": "mp-757571",
"created_at": "2022-09-04T14:42:26.615159Z",
"structure_string": "Ba13 Nb14 O42\n1.0\n-9.251287 0.000000 0.000000\n-0.004323 -10.148300 0.000000\n3.703273 3.384006 10.585754\nBa Nb O\n13 14 42\ndirect\n0.858764 0.716844 0.140711 Ba\n0.424122 0.859055 0.070287 Ba\n0.428035 0.857798 0.571993 Ba\n0.859253 0.717988 0.647736 Ba\n0.713660 0.427648 0.284876 Ba\n0.284836 0.571145 0.213424 Ba\n0.715164 0.428855 0.786576 Ba\n0.286340 0.572352 0.715124 Ba\n0.140747 0.282012 0.352264 Ba\n0.571965 0.142202 0.428007 Ba\n0.000000 0.000000 0.500000 Ba\n0.141236 0.283156 0.859289 Ba\n0.575878 0.140945 0.929713 Ba\n0.211242 0.929480 0.281823 Nb\n0.642735 0.786614 0.357407 Nb\n0.929778 0.352765 0.070285 Nb\n0.071125 0.642939 0.428338 Nb\n0.928875 0.357061 0.571662 Nb\n0.788153 0.070535 0.211310 Nb\n0.353032 0.211291 0.140942 Nb\n0.211847 0.929465 0.788690 Nb\n0.500000 0.500000 0.500000 Nb\n0.646968 0.788709 0.859058 Nb\n0.357265 0.213386 0.642593 Nb\n0.070222 0.647235 0.929715 Nb\n0.500000 0.500000 0.000000 Nb\n0.788758 0.070520 0.718177 Nb\n0.710018 0.927660 0.036088 O\n0.714454 0.928497 0.285614 O\n0.857090 0.714671 0.392834 O\n0.428629 0.857514 0.321174 O\n0.713916 0.428330 0.035536 O\n0.714276 0.928442 0.535869 O\n0.000291 0.499869 0.250237 O\n0.571303 0.642787 0.178578 O\n0.144702 0.782446 0.108604 O\n0.142352 0.785815 0.356823 O\n0.428475 0.357294 0.071273 O\n0.710516 0.927569 0.782879 O\n0.000000 0.500000 0.500000 O\n0.571550 0.643116 0.428633 O\n0.855147 0.217495 0.144932 O\n0.714212 0.428473 0.535799 O\n0.571153 0.142551 0.178134 O\n0.854837 0.710317 0.891487 O\n0.142730 0.785445 0.607203 O\n0.999709 0.000073 0.253365 O\n0.857270 0.214555 0.392797 O\n0.145163 0.289683 0.108513 O\n0.285788 0.571527 0.464201 O\n0.428446 0.357018 0.321614 O\n0.999709 0.500131 0.749763 O\n0.428847 0.857449 0.821866 O\n0.571554 0.642982 0.678386 O\n0.289484 0.072431 0.217121 O\n0.857648 0.214185 0.643177 O\n0.144853 0.782505 0.855068 O\n0.000000 0.500000 0.000000 O\n0.428450 0.356884 0.571367 O\n0.571525 0.642706 0.928727 O\n0.286084 0.571670 0.964464 O\n0.142910 0.285329 0.607166 O\n0.000291 0.999927 0.746635 O\n0.571371 0.142486 0.678826 O\n0.428697 0.357213 0.821422 O\n0.855298 0.217554 0.891396 O\n0.285724 0.071558 0.464131 O\n0.285546 0.071503 0.714386 O\n0.289982 0.072340 0.963912 O\n",
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