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{
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{
"id": "mp-863412",
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"structure_string": "Ta8 Cr3 O24\n1.0\n-3.370511 3.386865 9.284283\n3.370511 -3.386865 9.284283\n3.370511 3.386865 -9.284283\nTa Cr O\n8 3 24\ndirect\n0.323964 0.823964 0.500000 Ta\n0.152531 0.652531 0.500000 Ta\n0.500490 0.000490 0.500000 Ta\n0.084317 0.084317 0.000000 Ta\n0.914793 0.914793 0.000000 Ta\n0.422688 0.422688 0.000000 Ta\n0.834582 0.334582 0.500000 Ta\n0.672139 0.172139 0.500000 Ta\n0.252752 0.252752 0.000000 Cr\n0.742825 0.742825 0.000000 Cr\n0.000087 0.500087 0.500000 Cr\n0.489348 0.275082 0.785734 O\n0.999845 0.809369 0.809524 O\n0.164390 0.971063 0.806673 O\n0.273058 0.582350 0.690709 O\n0.447837 0.751348 0.696488 O\n0.054860 0.751348 0.303512 O\n0.891641 0.582350 0.309291 O\n0.383885 0.081264 0.302621 O\n0.217355 0.916096 0.301259 O\n0.336093 0.537012 0.200919 O\n0.678555 0.898018 0.219463 O\n0.164390 0.357718 0.193327 O\n0.336093 0.135175 0.799081 O\n0.837459 0.639122 0.801663 O\n0.678555 0.459092 0.780537 O\n0.778643 0.081264 0.697379 O\n0.614837 0.916096 0.698741 O\n0.115172 0.415032 0.700140 O\n0.951623 0.255855 0.695768 O\n0.560087 0.255855 0.304232 O\n0.714892 0.415032 0.299860 O\n0.837459 0.035796 0.198337 O\n0.999845 0.190321 0.190476 O\n0.489348 0.703614 0.214266 O\n",
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{
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{
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"structure_string": "Li2 Cr4 S8\n1.0\n-3.468711 3.510467 4.926605\n3.468711 -3.510467 4.926605\n3.468711 3.510467 -4.926605\nLi Cr S\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.743752 0.258360 0.485393 S\n0.743959 0.728865 0.484906 S\n0.272967 0.258360 0.014607 S\n0.256041 0.740947 0.984906 S\n0.727033 0.741640 0.985393 S\n0.256041 0.271135 0.515094 S\n0.743959 0.259053 0.015094 S\n0.256248 0.741640 0.514607 S\n",
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{
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"structure_string": "Tl24 In16 Se40\n1.0\n3.502866 -5.827018 0.000000\n3.502866 5.827018 0.000000\n0.000000 0.000000 58.153818\nTl In Se\n24 16 40\ndirect\n0.750017 0.750075 0.799967 Tl\n0.249933 0.250033 0.899992 Tl\n0.250075 0.250017 0.799967 Tl\n0.749981 0.749981 0.000000 Tl\n0.750033 0.749933 0.899992 Tl\n0.250033 0.249933 0.100008 Tl\n0.249981 0.249981 0.000000 Tl\n0.749933 0.750033 0.100008 Tl\n0.750075 0.750017 0.200033 Tl\n0.499842 0.999842 0.349981 Tl\n0.249768 0.250182 0.300008 Tl\n0.250017 0.250075 0.200033 Tl\n0.999799 0.499799 0.449998 Tl\n0.749958 0.749998 0.400009 Tl\n0.750182 0.749768 0.300008 Tl\n0.499799 0.999799 0.550002 Tl\n0.250079 0.250079 0.500000 Tl\n0.249998 0.249958 0.400009 Tl\n0.999842 0.499842 0.650019 Tl\n0.749998 0.749958 0.599991 Tl\n0.750079 0.750079 0.500000 Tl\n0.250182 0.249768 0.699992 Tl\n0.249958 0.249998 0.599991 Tl\n0.749768 0.750182 0.699992 Tl\n0.499679 0.999679 0.750004 In\n0.999711 0.499711 0.850017 In\n0.499539 0.999539 0.950010 In\n0.000310 0.500310 0.749997 In\n0.999539 0.499539 0.049990 In\n0.500411 0.000411 0.849991 In\n0.499711 0.999711 0.149983 In\n0.000318 0.500318 0.950034 In\n0.999679 0.499679 0.249996 In\n0.500318 0.000318 0.049966 In\n0.000411 0.500411 0.150009 In\n0.500310 0.000310 0.250003 In\n0.000294 0.500294 0.350002 In\n0.500094 0.000094 0.449994 In\n0.000094 0.500094 0.550006 In\n0.500294 0.000294 0.649998 In\n0.421110 0.579030 0.750004 Se\n0.749939 0.249939 0.784327 Se\n0.921062 0.079027 0.849995 Se\n0.250060 0.750060 0.884338 Se\n0.749689 0.249689 0.715651 Se\n0.079030 0.921110 0.750004 Se\n0.421019 0.578937 0.950005 Se\n0.750035 0.250035 0.984352 Se\n0.249938 0.749938 0.815681 Se\n0.579027 0.421062 0.849995 Se\n0.921019 0.078937 0.049995 Se\n0.249943 0.749943 0.084317 Se\n0.749943 0.249943 0.915683 Se\n0.078937 0.921019 0.950005 Se\n0.421062 0.579027 0.150005 Se\n0.749938 0.249938 0.184319 Se\n0.250035 0.750035 0.015648 Se\n0.578937 0.421019 0.049995 Se\n0.921110 0.079030 0.249996 Se\n0.249689 0.749689 0.284349 Se\n0.750060 0.250060 0.115662 Se\n0.079027 0.921062 0.150005 Se\n0.416885 0.566268 0.349999 Se\n0.758303 0.258303 0.385166 Se\n0.249939 0.749939 0.215673 Se\n0.579030 0.421110 0.249996 Se\n0.916955 0.066339 0.450001 Se\n0.258350 0.758350 0.485173 Se\n0.758776 0.258776 0.314840 Se\n0.066268 0.916885 0.349999 Se\n0.416955 0.566339 0.549999 Se\n0.758313 0.258313 0.585169 Se\n0.258313 0.758313 0.414831 Se\n0.566339 0.416955 0.450001 Se\n0.916885 0.066268 0.650001 Se\n0.258776 0.758776 0.685160 Se\n0.758350 0.258350 0.514827 Se\n0.066339 0.916955 0.549999 Se\n0.258303 0.758303 0.614834 Se\n0.566268 0.416885 0.650001 Se\n",
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{
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"structure_string": "Li4 Cr1 Co3 O8\n1.0\n5.108343 -2.940876 0.000000\n5.108343 2.940876 0.000000\n3.415280 0.000000 4.804142\nLi Cr Co O\n4 1 3 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.758501 0.256884 0.758501 O\n0.743727 0.743727 0.743727 O\n0.758501 0.758501 0.256884 O\n0.256884 0.758501 0.758501 O\n0.743116 0.241499 0.241499 O\n0.241499 0.241499 0.743116 O\n0.256273 0.256273 0.256273 O\n0.241499 0.743116 0.241499 O\n",
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{
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{
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"structure_string": "Tm4 Cd2 Pd4\n1.0\n7.668042 0.000000 0.000000\n0.000000 7.668042 0.000000\n0.000000 0.000000 3.688392\nTm Cd Pd\n4 2 4\ndirect\n0.672453 0.172453 0.500000 Tm\n0.327547 0.827547 0.500000 Tm\n0.172453 0.327547 0.500000 Tm\n0.827547 0.672453 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.129070 0.629070 0.000000 Pd\n0.870930 0.370930 0.000000 Pd\n0.629070 0.870930 0.000000 Pd\n0.370930 0.129070 0.000000 Pd\n",
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],
"chemical_system": "Cd-Pd-Tm",
"density": 10.154646338516264,
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"volume": 216.8732747598622,
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"formula_full": "Tm4 Cd2 Pd4",
"formula_reduced": "Tm2CdPd2",
"formula_anonymous": "AB2C2",
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"total_magnetization": 3.88e-05,
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{
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"structure_string": "Sn1 Bi1\n1.0\n3.921633 0.000000 0.000000\n0.000000 3.921633 0.000000\n0.000000 0.000000 3.921633\nSn Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Bi\n",
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"chemical_system": "Bi-Sn",
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"volume": 60.31159935821734,
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"formula_full": "Sn1 Bi1",
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"is_theoretical": true,
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]
}