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{
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{
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{
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{
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"structure_string": "K4 Na8 Ni4 O8\n1.0\n-0.000055 0.000450 -6.279651\n10.554624 -3.150535 -3.139508\n0.000002 -6.301513 0.000452\nK Na Ni O\n4 8 4 8\ndirect\n0.973024 0.553952 0.973024 K\n0.473026 0.553950 0.473026 K\n0.723022 0.053954 0.223023 K\n0.223021 0.053958 0.723022 K\n0.117321 0.765326 0.117323 Na\n0.617353 0.765326 0.617350 Na\n0.867325 0.265332 0.367337 Na\n0.367343 0.265332 0.867330 Na\n0.617353 0.765326 0.117323 Na\n0.117322 0.765326 0.617351 Na\n0.367344 0.265331 0.367337 Na\n0.867326 0.265332 0.867330 Na\n0.753363 0.993274 0.753364 Ni\n0.503364 0.493274 0.003364 Ni\n0.253363 0.993278 0.253362 Ni\n0.003360 0.493279 0.503362 Ni\n0.838406 0.823188 0.838406 O\n0.338359 0.823282 0.338358 O\n0.588401 0.323197 0.088401 O\n0.088376 0.323255 0.588373 O\n0.918222 0.663546 0.418225 O\n0.418185 0.663628 0.918186 O\n0.668182 0.163637 0.668181 O\n0.168236 0.163521 0.168239 O\n",
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"elements": [
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],
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"volume": 417.66126460950437,
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"formula_full": "K4 Na8 Ni4 O8",
"formula_reduced": "KNa2NiO2",
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"total_magnetization": 5.4e-06,
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"updated_at": "2021-11-28T01:35:44.242000Z",
"spacegroup": 107
},
{
"id": "mp-1205959",
"created_at": "2022-09-04T14:42:25.454341Z",
"structure_string": "Lu3 Mg3 Tl3\n1.0\n3.735872 -6.470721 0.000000\n3.735872 6.470721 0.000000\n0.000000 0.000000 4.624998\nLu Mg Tl\n3 3 3\ndirect\n0.573530 0.000000 0.000000 Lu\n0.000000 0.573530 0.000000 Lu\n0.426470 0.426470 0.000000 Lu\n0.245931 0.000000 0.500000 Mg\n0.000000 0.245931 0.500000 Mg\n0.754069 0.754069 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Lu-Mg-Tl",
"density": 8.992797290248049,
"density_atomic": 0.04024911189824742,
"volume": 223.60741828919436,
"volume_molar": 14.962170532419186,
"formula_full": "Lu3 Mg3 Tl3",
"formula_reduced": "LuMgTl",
"formula_anonymous": "ABC",
"energy": -27.76908309,
"energy_per_atom": -3.0854536766666665,
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"updated_at": "2021-11-28T01:35:46.462000Z",
"spacegroup": 189
},
{
"id": "mp-773182",
"created_at": "2022-09-04T14:42:42.168218Z",
"structure_string": "Li8 Cr6 Sn10 O32\n1.0\n-3.102950 5.374478 -0.000009\n0.021418 0.012372 9.938508\n9.246211 5.338299 0.027045\nLi Cr Sn O\n8 6 10 32\ndirect\n0.500012 0.890264 0.168933 Li\n0.000013 0.890268 0.668932 Li\n0.500010 0.988562 0.490097 Li\n0.000009 0.988588 0.990077 Li\n0.499997 0.497546 0.491619 Li\n0.000002 0.497559 0.991634 Li\n0.000017 0.404241 0.332641 Li\n0.500017 0.404258 0.832647 Li\n0.000031 0.214752 0.831503 Cr\n0.744824 0.713305 0.915352 Cr\n0.255193 0.713303 0.915358 Cr\n0.500044 0.214613 0.331525 Cr\n0.244804 0.713189 0.415386 Cr\n0.755211 0.713180 0.415400 Cr\n0.500010 0.496049 0.170870 Sn\n0.000008 0.496076 0.670853 Sn\n0.000002 0.713778 0.169305 Sn\n0.500000 0.713795 0.669299 Sn\n0.000008 0.985601 0.341112 Sn\n0.500011 0.985639 0.841114 Sn\n0.746886 0.215555 0.085436 Sn\n0.246867 0.215558 0.585424 Sn\n0.253136 0.215555 0.085449 Sn\n0.753150 0.215560 0.585436 Sn\n0.500007 0.345181 0.016298 O\n0.000007 0.345191 0.516284 O\n0.500019 0.103618 0.170877 O\n0.000018 0.103661 0.670900 O\n0.500015 0.314327 0.495858 O\n0.000018 0.314354 0.995873 O\n0.500002 0.806146 0.495530 O\n0.000007 0.806181 0.995528 O\n0.000009 0.094480 0.161439 O\n0.500008 0.094497 0.661420 O\n0.500005 0.602725 0.338094 O\n0.000009 0.602746 0.838080 O\n0.000003 0.607427 0.337567 O\n0.500008 0.607468 0.837548 O\n0.000007 0.830228 0.483583 O\n0.500013 0.830260 0.983566 O\n0.758136 0.596335 0.078206 O\n0.258150 0.596316 0.578206 O\n0.241873 0.596332 0.078211 O\n0.741852 0.596310 0.578211 O\n0.723968 0.344444 0.240873 O\n0.223958 0.344475 0.740861 O\n0.276076 0.344440 0.240882 O\n0.776090 0.344471 0.740873 O\n0.225766 0.838236 0.262340 O\n0.725779 0.838257 0.762318 O\n0.774245 0.838235 0.262346 O\n0.274232 0.838258 0.762324 O\n0.258901 0.098538 0.420136 O\n0.758963 0.098607 0.920104 O\n0.741126 0.098536 0.420146 O\n0.241066 0.098602 0.920113 O\n",
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"elements": [
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"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-Li-O-Sn",
"density": 5.211292681916319,
"density_atomic": 0.08504152466394983,
"volume": 658.5018345013175,
"volume_molar": 7.081412032294926,
"formula_full": "Li8 Cr6 Sn10 O32",
"formula_reduced": "Li4Cr3Sn5O16",
"formula_anonymous": "A3B4C5D16",
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"updated_at": "2021-11-28T01:35:49.887000Z",
"spacegroup": 8
}
]
}