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{
"id": "mp-690538",
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{
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"structure_string": "Ca4 Mn4 O12\n1.0\n2.695460 -4.668674 0.000000\n2.695460 4.668674 0.000000\n0.000000 0.000000 9.217627\nCa Mn O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750000 Ca\n0.333333 0.666667 0.886273 Mn\n0.666667 0.333333 0.113727 Mn\n0.666667 0.333333 0.386273 Mn\n0.333333 0.666667 0.613727 Mn\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.823739 0.176261 0.250000 O\n0.823739 0.647477 0.250000 O\n0.352523 0.176261 0.250000 O\n0.176261 0.823739 0.750000 O\n0.176261 0.352523 0.750000 O\n0.647477 0.823739 0.750000 O\n",
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{
"id": "mp-1223977",
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"structure_string": "In5 Pt11\n1.0\n4.105977 0.000000 0.000000\n0.000000 5.742247 0.000000\n0.000000 0.496972 11.527492\nIn Pt\n5 11\ndirect\n0.500000 0.746371 0.374483 In\n0.500000 0.724958 0.860774 In\n0.500000 0.275042 0.139226 In\n0.500000 0.253629 0.625517 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000867 0.247893 Pt\n0.000000 0.999133 0.752107 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.000000 0.506304 0.252564 Pt\n0.000000 0.493696 0.747436 Pt\n0.500000 0.242369 0.379426 Pt\n0.500000 0.235968 0.882374 Pt\n0.500000 0.764032 0.117626 Pt\n0.500000 0.757631 0.620574 Pt\n0.000000 0.000000 0.500000 Pt\n",
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{
"id": "mp-1099827",
"created_at": "2022-09-04T14:39:39.286992Z",
"structure_string": "Sr3 Ca5 Fe1 Co7 O24\n1.0\n5.387646 5.386235 0.000000\n-5.387646 5.386235 0.000000\n0.000000 0.001506 7.665646\nSr Ca Fe Co O\n3 5 1 7 24\ndirect\n0.250173 0.750019 0.747976 Sr\n0.250610 0.250610 0.747715 Sr\n0.750019 0.250173 0.747976 Sr\n0.249147 0.750960 0.252679 Ca\n0.249950 0.249950 0.253057 Ca\n0.750001 0.750001 0.746640 Ca\n0.749969 0.749969 0.253302 Ca\n0.750960 0.249147 0.252679 Ca\n0.999234 0.999234 0.002226 Fe\n0.999000 0.500971 0.002919 Co\n0.998888 0.998888 0.497176 Co\n0.999344 0.500519 0.498003 Co\n0.500971 0.999000 0.002919 Co\n0.500667 0.500667 0.002151 Co\n0.500519 0.999344 0.498003 Co\n0.500992 0.500992 0.497091 Co\n0.252970 0.999756 0.007008 O\n0.247493 0.501688 0.006043 O\n0.249344 0.000167 0.492954 O\n0.251783 0.502137 0.492603 O\n0.746472 0.996562 0.005709 O\n0.752018 0.500867 0.004183 O\n0.750503 0.996392 0.495805 O\n0.748520 0.502276 0.494604 O\n0.997210 0.997210 0.745572 O\n0.996328 0.504251 0.748620 O\n0.998461 0.998461 0.255761 O\n0.998975 0.500532 0.251368 O\n0.504251 0.996328 0.748620 O\n0.503547 0.503547 0.747236 O\n0.500532 0.998975 0.251368 O\n0.501301 0.501301 0.251122 O\n0.996562 0.746472 0.005709 O\n0.999756 0.252970 0.007008 O\n0.996392 0.750503 0.495805 O\n0.000167 0.249344 0.492954 O\n0.500867 0.752018 0.004183 O\n0.501688 0.247493 0.006043 O\n0.502276 0.748520 0.494604 O\n0.502137 0.251783 0.492603 O\n",
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{
"id": "mp-1220480",
"created_at": "2022-09-04T14:39:39.289990Z",
"structure_string": "Nb2 Al2 Co8\n1.0\n2.365390 -4.096976 0.000000\n2.365390 4.096976 0.000000\n0.000000 0.000000 7.648389\nNb Al Co\n2 2 8\ndirect\n0.333333 0.666667 0.914569 Nb\n0.666667 0.333333 0.085431 Nb\n0.666667 0.333333 0.448457 Al\n0.333333 0.666667 0.551543 Al\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.661142 0.830571 0.252317 Co\n0.169429 0.830571 0.252317 Co\n0.169429 0.338858 0.252317 Co\n0.338858 0.169429 0.747683 Co\n0.830571 0.169429 0.747683 Co\n0.830571 0.661142 0.747683 Co\n",
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"formula_full": "Nb2 Al2 Co8",
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{
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"created_at": "2022-09-04T14:39:36.378064Z",
"structure_string": "Ba2 Co2 S2 O2\n1.0\n2.017710 -6.456897 0.000000\n2.017710 6.456897 0.000000\n0.000000 0.000000 6.179544\nBa Co S O\n2 2 2 2\ndirect\n0.613622 0.386378 0.750000 Ba\n0.386378 0.613622 0.250000 Ba\n0.905639 0.094361 0.750000 Co\n0.094361 0.905639 0.250000 Co\n0.309567 0.690433 0.750000 S\n0.690433 0.309567 0.250000 S\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "mp-1177119",
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"structure_string": "Li12 Fe6 O16\n1.0\n-0.059105 -3.055280 5.170121\n-1.669190 -2.609055 -5.175626\n8.738889 -5.670296 -0.135194\nLi Fe O\n12 6 16\ndirect\n0.473734 0.476913 0.007616 Li\n0.994221 0.999902 0.001269 Li\n0.494087 0.003028 0.000117 Li\n0.575156 0.278737 0.151229 Li\n0.001583 0.980127 0.503027 Li\n0.424546 0.220879 0.349451 Li\n0.505921 0.497878 0.499816 Li\n0.006274 0.501228 0.498622 Li\n0.568889 0.778316 0.649471 Li\n0.528414 0.024995 0.492665 Li\n0.430359 0.721210 0.851348 Li\n0.997866 0.522004 0.997206 Li\n0.500085 0.750025 0.249981 Fe\n0.000141 0.750097 0.249931 Fe\n0.000015 0.250083 0.249929 Fe\n0.000056 0.750208 0.749874 Fe\n0.999680 0.249808 0.750025 Fe\n0.500130 0.250183 0.749892 Fe\n0.245187 0.622136 0.126874 O\n0.749995 0.637968 0.136822 O\n0.752634 0.106943 0.133174 O\n0.226941 0.114110 0.137259 O\n0.250323 0.862074 0.362903 O\n0.755067 0.878098 0.372920 O\n0.773363 0.386144 0.362557 O\n0.247555 0.393099 0.366707 O\n0.754441 0.612744 0.632288 O\n0.216994 0.597573 0.641904 O\n0.253482 0.118887 0.626953 O\n0.756959 0.138652 0.640014 O\n0.783047 0.902451 0.857982 O\n0.245885 0.887617 0.867505 O\n0.243297 0.361516 0.859705 O\n0.746817 0.381442 0.872820 O\n",
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{
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{
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"created_at": "2022-09-04T14:39:39.310335Z",
"structure_string": "Cs4 Zr2 Cu6 F24\n1.0\n7.255041 0.000000 0.000000\n0.000000 7.907239 0.000000\n0.000000 0.754715 10.401202\nCs Zr Cu F\n4 2 6 24\ndirect\n0.750000 0.987769 0.149418 Cs\n0.250000 0.012231 0.850582 Cs\n0.750000 0.447587 0.375680 Cs\n0.250000 0.552413 0.624320 Cs\n0.250000 0.702494 0.239770 Zr\n0.750000 0.297506 0.760230 Zr\n0.250000 0.218595 0.228934 Cu\n0.750000 0.781405 0.771066 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.057126 0.295147 0.105347 F\n0.557126 0.704853 0.894653 F\n0.942874 0.704853 0.894653 F\n0.442874 0.295147 0.105347 F\n0.049675 0.141268 0.342069 F\n0.549675 0.858732 0.657931 F\n0.950325 0.858732 0.657931 F\n0.450325 0.141268 0.342069 F\n0.250000 0.462374 0.325666 F\n0.750000 0.537626 0.674334 F\n0.250000 0.938414 0.146717 F\n0.750000 0.061586 0.853283 F\n0.250000 0.599090 0.035715 F\n0.750000 0.400910 0.964285 F\n0.982698 0.649565 0.172688 F\n0.482698 0.350435 0.827312 F\n0.017302 0.350435 0.827312 F\n0.517302 0.649565 0.172688 F\n0.250000 0.014442 0.561371 F\n0.750000 0.985558 0.438629 F\n0.926261 0.231424 0.616754 F\n0.426261 0.768576 0.383246 F\n0.073739 0.768576 0.383246 F\n0.573739 0.231424 0.616754 F\n",
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{
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{
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"structure_string": "Sn12 O16\n1.0\n8.644053 0.000000 0.000000\n0.000000 8.644053 0.000000\n0.000000 0.000000 7.408233\nSn O\n12 16\ndirect\n0.656211 0.736356 0.500000 Sn\n0.843789 0.236356 0.000000 Sn\n0.343789 0.263644 0.500000 Sn\n0.156211 0.763644 0.000000 Sn\n0.263644 0.656211 0.500000 Sn\n0.763644 0.843789 0.000000 Sn\n0.736356 0.343789 0.500000 Sn\n0.236356 0.156211 0.000000 Sn\n0.500000 0.500000 0.807650 Sn\n0.000000 0.000000 0.692350 Sn\n0.500000 0.500000 0.192350 Sn\n0.000000 0.000000 0.307650 Sn\n0.713759 0.542548 0.681063 O\n0.786241 0.042548 0.818937 O\n0.286241 0.457452 0.681063 O\n0.213759 0.957452 0.818937 O\n0.457452 0.713759 0.318937 O\n0.957452 0.786241 0.181063 O\n0.542548 0.286241 0.318937 O\n0.042548 0.213759 0.181063 O\n0.457452 0.713759 0.681063 O\n0.042548 0.213759 0.818937 O\n0.542548 0.286241 0.681063 O\n0.957452 0.786241 0.818937 O\n0.286241 0.457452 0.318937 O\n0.786241 0.042548 0.181063 O\n0.713759 0.542548 0.318937 O\n0.213759 0.957452 0.181063 O\n",
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{
"id": "mp-10116",
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"structure_string": "U1 B2 Ir3\n1.0\n2.735302 -4.737682 0.000000\n2.735302 4.737682 0.000000\n0.000000 0.000000 3.154215\nU B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 U\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.500000 Ir\n",
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]
}