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{
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{
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"structure_string": "Li3 Fe4 Sb1 O8\n1.0\n3.148983 5.200293 0.000000\n-3.148983 5.200293 0.000000\n0.000000 3.684595 5.088519\nLi Fe Sb O\n3 4 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Sb\n0.739174 0.739174 0.754124 O\n0.277502 0.735318 0.223757 O\n0.735318 0.277502 0.223757 O\n0.260826 0.260826 0.245876 O\n0.249210 0.249210 0.728729 O\n0.722498 0.264682 0.776243 O\n0.264682 0.722498 0.776243 O\n0.750790 0.750790 0.271271 O\n",
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"elements": [
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"formula_full": "Li3 Fe4 Sb1 O8",
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"spacegroup": 12
},
{
"id": "mp-1113554",
"created_at": "2022-09-04T14:42:08.743945Z",
"structure_string": "Cs2 In1 Ag1 Br6\n1.0\n0.000000 5.611998 5.611998\n5.611998 0.000000 5.611998\n5.611998 5.611998 0.000000\nCs In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.755995 0.244005 0.244005 Br\n0.244005 0.244005 0.755995 Br\n0.244005 0.755995 0.755995 Br\n0.244005 0.755995 0.244005 Br\n0.755995 0.244005 0.755995 Br\n0.755995 0.755995 0.244005 Br\n",
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{
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"structure_string": "Ca2 N12\n1.0\n0.000000 5.569997 5.766863\n2.992967 0.000000 5.766863\n2.992967 5.569997 0.000000\nCa N\n2 12\ndirect\n0.382151 0.364759 0.370332 Ca\n0.623782 0.618010 0.628347 Ca\n0.771771 0.222140 0.339812 N\n0.160330 0.343389 0.227002 N\n0.247172 0.253121 0.008663 N\n0.999285 0.004631 0.254063 N\n0.752319 0.741807 0.005967 N\n0.009641 0.992319 0.747379 N\n0.781155 0.212017 0.835298 N\n0.671934 0.834876 0.214034 N\n0.830727 0.661952 0.787227 N\n0.211668 0.787367 0.663716 N\n0.221439 0.771307 0.163233 N\n0.344759 0.158989 0.769237 N\n",
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{
"id": "mp-580589",
"created_at": "2022-09-04T14:42:08.826415Z",
"structure_string": "Cs2 Na1 Er1 Cl6\n1.0\n0.000000 5.436473 5.436473\n5.436473 0.000000 5.436473\n5.436473 5.436473 0.000000\nCs Na Er Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Er\n0.758923 0.241077 0.241077 Cl\n0.241077 0.241077 0.758923 Cl\n0.241077 0.758923 0.758923 Cl\n0.241077 0.758923 0.241077 Cl\n0.758923 0.241077 0.758923 Cl\n0.758923 0.758923 0.241077 Cl\n",
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{
"id": "mp-1522332",
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"structure_string": "Na1 Ca1 Nb1 Sn1 O6\n1.0\n-0.000000 -4.038062 -4.038062\n4.038062 0.000000 -4.038062\n4.038062 -4.038062 -0.000000\nNa Ca Nb Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Sn\n0.753385 0.246615 0.246615 O\n0.246615 0.753385 0.753385 O\n0.753385 0.246615 0.753385 O\n0.246615 0.753385 0.246615 O\n0.753385 0.753385 0.246615 O\n0.246615 0.246615 0.753385 O\n",
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{
"id": "mp-1196377",
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{
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{
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{
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},
{
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"created_at": "2022-09-04T14:42:07.259340Z",
"structure_string": "Hg36 Cl12 O12\n1.0\n4.624980 9.911849 0.000000\n-4.624980 9.911849 0.000000\n0.000000 6.177620 16.280100\nHg Cl O\n36 12 12\ndirect\n0.814585 0.509836 0.656950 Hg\n0.250126 0.285680 0.611155 Hg\n0.391550 0.627787 0.821443 Hg\n0.041804 0.096496 0.202069 Hg\n0.361110 0.447481 0.035460 Hg\n0.053116 0.289241 0.820619 Hg\n0.206693 0.465460 0.865624 Hg\n0.710759 0.946884 0.679381 Hg\n0.124800 0.843909 0.509902 Hg\n0.638890 0.552519 0.964540 Hg\n0.749874 0.714320 0.388845 Hg\n0.490164 0.185415 0.843050 Hg\n0.285680 0.250126 0.111155 Hg\n0.903504 0.958196 0.297931 Hg\n0.156091 0.875200 0.990098 Hg\n0.875200 0.156091 0.490098 Hg\n0.289241 0.053116 0.320619 Hg\n0.949755 0.719766 0.026575 Hg\n0.958196 0.903504 0.797931 Hg\n0.447481 0.361110 0.535460 Hg\n0.280234 0.050245 0.473425 Hg\n0.552519 0.638890 0.464540 Hg\n0.050245 0.280234 0.973425 Hg\n0.793307 0.534540 0.134376 Hg\n0.096496 0.041804 0.702069 Hg\n0.627787 0.391550 0.321443 Hg\n0.843909 0.124800 0.009902 Hg\n0.372213 0.608450 0.678557 Hg\n0.714320 0.749874 0.888845 Hg\n0.465460 0.206693 0.365624 Hg\n0.185415 0.490164 0.343050 Hg\n0.946884 0.710759 0.179381 Hg\n0.719766 0.949755 0.526575 Hg\n0.534540 0.793307 0.634376 Hg\n0.509836 0.814585 0.156950 Hg\n0.608450 0.372213 0.178557 Hg\n0.959656 0.338866 0.515461 Cl\n0.618437 0.057299 0.218087 Cl\n0.040344 0.661134 0.484539 Cl\n0.648327 0.270226 0.655008 Cl\n0.729774 0.351673 0.844992 Cl\n0.057299 0.618437 0.718087 Cl\n0.351673 0.729774 0.344992 Cl\n0.338866 0.959656 0.015461 Cl\n0.381563 0.942701 0.781913 Cl\n0.661134 0.040344 0.984539 Cl\n0.270226 0.648327 0.155008 Cl\n0.942701 0.381563 0.281913 Cl\n0.293937 0.045829 0.195855 O\n0.642795 0.370421 0.447327 O\n0.954171 0.706063 0.304145 O\n0.357205 0.629579 0.552673 O\n0.370421 0.642795 0.947327 O\n0.706063 0.954171 0.804145 O\n0.692903 0.985562 0.402604 O\n0.014438 0.307097 0.097396 O\n0.045829 0.293937 0.695855 O\n0.985562 0.692903 0.902604 O\n0.307097 0.014438 0.597396 O\n0.629579 0.357205 0.052673 O\n",
"nsites": 60,
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"elements": [
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],
"chemical_system": "Cl-Hg-O",
"density": 8.72046839214266,
"density_atomic": 0.040197556122357675,
"volume": 1492.628054734609,
"volume_molar": 14.981360413227998,
"formula_full": "Hg36 Cl12 O12",
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"energy": -128.4957554,
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"updated_at": "2021-11-28T01:35:33.818000Z",
"spacegroup": 15
},
{
"id": "mp-1043844",
"created_at": "2022-09-04T14:42:26.609260Z",
"structure_string": "La2 Mg2 V2 Fe2 O12\n1.0\n5.478279 0.000000 0.000000\n0.000000 5.366374 0.000000\n0.000000 5.376333 7.754009\nLa Mg V Fe O\n2 2 2 2 12\ndirect\n0.209076 0.744445 0.249560 La\n0.790924 0.744445 0.749560 La\n0.695217 0.269751 0.255054 Mg\n0.304783 0.269751 0.755054 Mg\n0.744234 0.502383 0.499260 V\n0.255766 0.502383 0.999260 V\n0.750400 0.000590 0.001022 Fe\n0.249600 0.000590 0.501022 Fe\n0.229335 0.881257 0.751633 O\n0.053200 0.248615 0.940636 O\n0.042730 0.621649 0.558754 O\n0.957270 0.621649 0.058754 O\n0.946800 0.248615 0.440636 O\n0.770665 0.881257 0.251633 O\n0.702635 0.173557 0.747213 O\n0.525272 0.718579 0.554180 O\n0.512329 0.339175 0.942686 O\n0.487671 0.339175 0.442686 O\n0.474728 0.718579 0.054180 O\n0.297365 0.173557 0.247213 O\n",
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"density": 5.332132433279185,
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"formula_full": "La2 Mg2 V2 Fe2 O12",
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]
}