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{
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{
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{
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{
"id": "mp-1209071",
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"structure_string": "Sn1 C2 N6 F6\n1.0\n-0.142873 0.000000 -6.397797\n0.000000 -6.906743 0.000000\n-5.319519 3.453372 2.534016\nSn C N F\n1 2 6 6\ndirect\n0.719151 0.371969 0.743939 Sn\n0.454737 0.650492 0.300983 C\n0.990390 0.099417 0.198833 C\n0.447157 0.423162 0.185398 N\n0.447157 0.762237 0.185398 N\n0.987988 0.984697 0.969394 N\n0.991947 0.325668 0.312290 N\n0.991947 0.986621 0.312290 N\n0.468344 0.767680 0.535359 N\n0.914529 0.555686 0.111372 F\n0.519347 0.188833 0.377665 F\n0.518169 0.601234 0.785310 F\n0.518169 0.184076 0.785310 F\n0.921234 0.556324 0.700230 F\n0.921234 0.143905 0.700230 F\n",
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{
"id": "mp-3109",
"created_at": "2022-09-04T14:43:21.556793Z",
"structure_string": "U2 Ge2 Te2\n1.0\n-2.055667 2.055667 8.761685\n2.055667 -2.055667 8.761685\n2.055667 2.055667 -8.761685\nU Ge Te\n2 2 2\ndirect\n0.877403 0.877403 0.000000 U\n0.122597 0.122597 0.000000 U\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.500000 Ge\n0.315261 0.315261 0.000000 Te\n0.684739 0.684739 0.000000 Te\n",
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{
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"structure_string": "Li1 Nb1 Ru2\n1.0\n-4.892404 5.228898 7.393107\n4.892404 -5.228898 7.393107\n4.892404 5.228898 -7.393107\nLi Nb Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Nb\n0.000000 0.276792 0.276792 Ru\n0.000000 0.723208 0.723208 Ru\n",
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{
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"structure_string": "Ba1 Yb1 Fe4 O7\n1.0\n-3.214978 3.214978 4.520225\n3.214978 -3.214978 4.520225\n3.214978 3.214978 -4.520225\nBa Yb Fe O\n1 1 4 7\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Yb\n0.621822 0.405634 0.261227 Fe\n0.144407 0.360596 0.738773 Fe\n0.594366 0.855593 0.216189 Fe\n0.639404 0.378178 0.783811 Fe\n0.231752 0.730095 0.917358 O\n0.812737 0.314394 0.082642 O\n0.269905 0.187263 0.501656 O\n0.685606 0.768248 0.498344 O\n0.745438 0.745438 0.000000 O\n0.254562 0.254562 0.000000 O\n0.750000 0.250000 0.500000 O\n",
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{
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"structure_string": "Li4 Mn6 F16\n1.0\n5.783633 0.000000 0.000000\n0.000000 6.375576 0.000000\n0.000000 0.000000 10.288351\nLi Mn F\n4 6 16\ndirect\n0.274531 0.500000 0.775657 Li\n0.256483 0.000000 0.720310 Li\n0.743517 0.500000 0.220310 Li\n0.725469 0.000000 0.275657 Li\n0.979692 0.752961 0.502152 Mn\n0.979692 0.247039 0.502152 Mn\n0.479963 0.500000 0.493348 Mn\n0.520037 0.000000 0.993348 Mn\n0.020308 0.747039 0.002152 Mn\n0.020308 0.252961 0.002152 Mn\n0.803164 0.500000 0.598002 F\n0.853043 0.000000 0.902054 F\n0.696955 0.778146 0.116472 F\n0.696955 0.221854 0.116472 F\n0.667810 0.721442 0.377711 F\n0.667810 0.278558 0.377711 F\n0.944404 0.000000 0.633893 F\n0.976502 0.500000 0.869245 F\n0.023498 0.000000 0.369245 F\n0.055596 0.500000 0.133893 F\n0.332190 0.778558 0.877711 F\n0.332190 0.221442 0.877711 F\n0.303045 0.721854 0.616472 F\n0.303045 0.278146 0.616472 F\n0.146957 0.500000 0.402054 F\n0.196836 0.000000 0.098002 F\n",
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"volume": 379.3725698704945,
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{
"id": "mp-1177512",
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"structure_string": "Li6 V2 Fe2 P8 O28\n1.0\n5.001040 0.012315 0.007218\n2.335765 8.319688 -6.672696\n-2.319546 8.399625 6.725479\nLi V Fe P O\n6 2 2 8 28\ndirect\n0.171943 0.595475 0.258014 Li\n0.178441 0.093239 0.760567 Li\n0.273882 0.532443 0.627974 Li\n0.278834 0.033097 0.127677 Li\n0.821220 0.506217 0.849336 Li\n0.823869 0.005751 0.348363 Li\n0.212084 0.889991 0.614391 V\n0.213040 0.389822 0.115025 V\n0.797257 0.356074 0.631319 Fe\n0.798117 0.855184 0.129733 Fe\n0.391062 0.329628 0.854100 P\n0.391937 0.829270 0.352670 P\n0.216385 0.851857 0.933062 P\n0.221127 0.350383 0.433457 P\n0.789594 0.190274 0.102662 P\n0.787850 0.691178 0.601948 P\n0.600545 0.601290 0.079454 P\n0.605494 0.100840 0.580769 P\n0.068982 0.228493 0.102494 O\n0.069507 0.726696 0.602694 O\n0.161979 0.404978 0.289886 O\n0.155484 0.905155 0.789573 O\n0.195898 0.269888 0.770733 O\n0.200394 0.768051 0.270042 O\n0.228724 0.411746 0.930286 O\n0.231401 0.912593 0.427987 O\n0.383007 0.541543 0.131250 O\n0.390018 0.040988 0.633326 O\n0.601138 0.263277 0.172629 O\n0.599987 0.768528 0.670175 O\n0.621691 0.209760 0.954885 O\n0.621412 0.709370 0.455113 O\n0.425836 0.708866 0.952417 O\n0.433611 0.207728 0.452903 O\n0.378356 0.933309 0.006715 O\n0.385018 0.431482 0.508033 O\n0.549449 0.409125 0.780845 O\n0.555170 0.906794 0.279593 O\n0.755136 0.665428 0.174406 O\n0.762350 0.164989 0.674738 O\n0.804013 0.506821 0.028952 O\n0.809876 0.004527 0.530928 O\n0.862856 0.545870 0.657069 O\n0.871465 0.044406 0.155652 O\n0.955591 0.837320 0.976888 O\n0.960549 0.335034 0.475831 O\n",
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"formula_full": "Li6 V2 Fe2 P8 O28",
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{
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"structure_string": "Ca1 Mn1 Fe1 Ge2\n1.0\n-1.968579 1.968579 5.541207\n1.968579 -1.968579 5.541207\n1.968579 1.968579 -5.541207\nCa Mn Fe Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Fe\n0.621628 0.621628 0.000000 Ge\n0.378372 0.378372 0.000000 Ge\n",
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},
{
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"structure_string": "Tb4 Se6 O40\n1.0\n0.000000 -7.005753 0.000000\n-6.149340 3.502877 1.275085\n-0.643002 0.000000 -19.738603\nTb Se O\n4 6 40\ndirect\n0.821855 0.678823 0.607015 Tb\n0.178145 0.321177 0.392985 Tb\n0.143031 0.321177 0.892985 Tb\n0.856969 0.678823 0.107015 Tb\n0.766836 0.590149 0.916005 Se\n0.233164 0.409851 0.083995 Se\n0.176686 0.409851 0.583995 Se\n0.823314 0.590149 0.416005 Se\n0.713333 0.000000 0.750000 Se\n0.286667 0.000000 0.250000 Se\n0.342663 0.613005 0.819615 O\n0.657337 0.386995 0.180385 O\n0.729658 0.386995 0.680385 O\n0.270342 0.613005 0.319615 O\n0.320433 0.698049 0.927050 O\n0.679567 0.301951 0.072950 O\n0.622384 0.301951 0.572950 O\n0.377616 0.698049 0.427050 O\n0.509735 0.404131 0.887084 O\n0.490265 0.595869 0.112916 O\n0.105604 0.595869 0.612916 O\n0.894396 0.404131 0.387084 O\n0.788277 0.709739 0.996718 O\n0.211723 0.290261 0.003282 O\n0.078538 0.290261 0.503282 O\n0.921462 0.709739 0.496718 O\n0.537631 0.934413 0.813651 O\n0.462369 0.065587 0.186349 O\n0.603218 0.065587 0.686349 O\n0.396782 0.934413 0.313651 O\n0.850663 0.772788 0.861773 O\n0.149337 0.227212 0.138227 O\n0.077875 0.227212 0.638227 O\n0.922125 0.772788 0.361773 O\n0.449239 0.530869 0.587644 O\n0.550761 0.469131 0.412356 O\n0.918370 0.469131 0.912356 O\n0.081630 0.530869 0.087644 O\n0.189888 0.002958 0.861934 O\n0.810112 0.997042 0.138066 O\n0.186930 0.997042 0.638066 O\n0.813070 0.002958 0.361934 O\n0.769682 0.976891 0.581276 O\n0.230318 0.023109 0.418724 O\n0.792791 0.023109 0.918724 O\n0.207209 0.976891 0.081276 O\n0.748362 0.794878 0.714179 O\n0.251638 0.205122 0.285821 O\n0.953484 0.205122 0.785821 O\n0.046516 0.794878 0.214179 O\n",
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},
{
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"created_at": "2022-09-04T14:43:16.547302Z",
"structure_string": "Mg14 Cr1 Sn1 O16\n1.0\n8.735986 0.000000 0.000000\n0.000000 8.735986 0.000000\n0.000000 0.000000 4.324608\nMg Cr Sn O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.260022 0.500000 Mg\n0.000000 0.739978 0.500000 Mg\n0.500000 0.247923 0.500000 Mg\n0.500000 0.752077 0.500000 Mg\n0.260022 0.000000 0.500000 Mg\n0.247923 0.500000 0.500000 Mg\n0.739978 0.000000 0.500000 Mg\n0.752077 0.500000 0.500000 Mg\n0.254320 0.254320 0.000000 Mg\n0.254320 0.745680 0.000000 Mg\n0.745680 0.254320 0.000000 Mg\n0.745680 0.745680 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Sn\n0.270599 0.000000 0.000000 O\n0.244223 0.500000 0.000000 O\n0.729401 0.000000 0.000000 O\n0.755777 0.500000 0.000000 O\n0.250665 0.250665 0.500000 O\n0.250665 0.749335 0.500000 O\n0.749335 0.250665 0.500000 O\n0.749335 0.749335 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.270599 0.000000 O\n0.000000 0.729401 0.000000 O\n0.500000 0.244223 0.000000 O\n0.500000 0.755777 0.000000 O\n",
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"elements": [
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],
"chemical_system": "Cr-Mg-O-Sn",
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"density_atomic": 0.09695704530038103,
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"volume_molar": 6.211143028691627,
"formula_full": "Mg14 Cr1 Sn1 O16",
"formula_reduced": "Mg14CrSnO16",
"formula_anonymous": "ABC14D16",
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"updated_at": "2021-11-28T01:36:09.843000Z",
"spacegroup": 123
}
]
}