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{
"id": "mp-1195351",
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"structure_string": "K4 V8 P4 O44\n1.0\n7.139324 0.000000 0.000000\n0.000000 9.839114 0.000000\n0.000000 0.000000 12.566921\nK V P O\n4 8 4 44\ndirect\n0.724687 0.781487 0.229659 K\n0.775313 0.218513 0.729659 K\n0.224687 0.718513 0.770341 K\n0.275313 0.281487 0.270341 K\n0.790981 0.446370 0.409680 V\n0.709019 0.553630 0.909680 V\n0.290981 0.053630 0.590320 V\n0.209019 0.946370 0.090320 V\n0.976219 0.783236 0.508130 V\n0.523781 0.216764 0.008130 V\n0.476219 0.716764 0.491870 V\n0.023781 0.283236 0.991870 V\n0.755066 0.566986 0.645216 P\n0.744934 0.433014 0.145216 P\n0.255066 0.933014 0.354784 P\n0.244934 0.066986 0.854784 P\n0.069315 0.853011 0.372957 O\n0.430685 0.146989 0.872957 O\n0.569315 0.646989 0.627043 O\n0.930685 0.353011 0.127043 O\n0.541453 0.577365 0.423493 O\n0.958547 0.422635 0.923493 O\n0.041453 0.922635 0.576507 O\n0.458547 0.077365 0.076507 O\n0.983200 0.357312 0.396136 O\n0.516800 0.642688 0.896136 O\n0.483200 0.142688 0.603864 O\n0.016800 0.857312 0.103864 O\n0.737187 0.805462 0.480978 O\n0.762813 0.194538 0.980978 O\n0.237187 0.694538 0.519022 O\n0.262813 0.305462 0.019022 O\n0.923982 0.666000 0.632181 O\n0.576018 0.334000 0.132181 O\n0.423982 0.834000 0.367819 O\n0.076018 0.166000 0.867819 O\n0.744468 0.494639 0.257120 O\n0.755532 0.505361 0.757120 O\n0.244468 0.005361 0.742880 O\n0.255532 0.994639 0.242880 O\n0.719407 0.102275 0.307339 O\n0.780593 0.897725 0.807339 O\n0.219407 0.397725 0.692661 O\n0.280593 0.602275 0.192661 O\n0.614625 0.303612 0.396869 O\n0.885375 0.696388 0.896869 O\n0.114625 0.196388 0.603131 O\n0.385375 0.803612 0.103131 O\n0.713858 0.155466 0.397181 O\n0.786142 0.844534 0.897181 O\n0.213858 0.344534 0.602819 O\n0.286142 0.655466 0.102819 O\n0.769969 0.445820 0.566094 O\n0.730031 0.554180 0.066094 O\n0.269969 0.054180 0.433906 O\n0.230031 0.945820 0.933906 O\n0.912252 0.614988 0.418990 O\n0.587748 0.385012 0.918990 O\n0.412252 0.885012 0.581010 O\n0.087748 0.114988 0.081010 O\n",
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"spacegroup": 19
},
{
"id": "mp-753447",
"created_at": "2022-09-04T14:40:54.413566Z",
"structure_string": "Li2 Mn2 Si4 O12\n1.0\n6.707564 -0.027763 -0.050241\n-0.780270 6.661259 0.049979\n-1.488016 1.329080 4.936566\nLi Mn Si O\n2 2 4 12\ndirect\n0.253764 0.253783 0.250010 Li\n0.746236 0.746217 0.749990 Li\n0.104702 0.104553 0.750079 Mn\n0.895298 0.895447 0.249921 Mn\n0.203021 0.613641 0.763090 Si\n0.386362 0.796911 0.263158 Si\n0.613638 0.203089 0.736842 Si\n0.796979 0.386359 0.236910 Si\n0.023929 0.794803 0.636800 O\n0.112627 0.376754 0.837002 O\n0.205251 0.976033 0.136952 O\n0.348032 0.650426 0.552055 O\n0.376803 0.112612 0.663012 O\n0.349547 0.651978 0.051993 O\n0.650453 0.348022 0.948007 O\n0.623197 0.887388 0.336988 O\n0.651968 0.349574 0.447945 O\n0.794749 0.023967 0.863048 O\n0.887373 0.623246 0.162998 O\n0.976071 0.205197 0.363200 O\n",
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"elements": [
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"formula_full": "Li2 Mn2 Si4 O12",
"formula_reduced": "LiMn(SiO3)2",
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{
"id": "mp-39260",
"created_at": "2022-09-04T14:40:54.415221Z",
"structure_string": "Na10 Ca5 P5 O20 F5\n1.0\n3.537313 6.212508 0.000000\n-3.537313 6.212508 0.000000\n0.000000 4.337710 13.621417\nNa Ca P O F\n10 5 5 20 5\ndirect\n0.581396 0.047184 0.795334 Na\n0.047184 0.581396 0.795334 Na\n0.801375 0.289828 0.594014 Na\n0.289828 0.801375 0.594014 Na\n0.705961 0.212394 0.387588 Na\n0.212394 0.705961 0.387588 Na\n0.928860 0.433012 0.190461 Na\n0.433012 0.928860 0.190461 Na\n0.842711 0.345006 0.993430 Na\n0.345006 0.842711 0.993430 Na\n0.581890 0.581890 0.794132 Ca\n0.308531 0.308531 0.596364 Ca\n0.685564 0.685564 0.391491 Ca\n0.450115 0.450115 0.190876 Ca\n0.825536 0.825536 0.991059 Ca\n0.065138 0.065138 0.797954 P\n0.204248 0.204248 0.401874 P\n0.338642 0.338642 0.002196 P\n0.799505 0.799505 0.587719 P\n0.927680 0.927680 0.199827 P\n0.027725 0.027725 0.913007 O\n0.173008 0.173008 0.517132 O\n0.305078 0.305078 0.117049 O\n0.470825 0.109949 0.966722 O\n0.470203 0.470203 0.959385 O\n0.109949 0.470825 0.966722 O\n0.688212 0.052852 0.552260 O\n0.692617 0.692617 0.552384 O\n0.052852 0.688212 0.552260 O\n0.974216 0.333536 0.368120 O\n0.335290 0.335290 0.357107 O\n0.333536 0.974216 0.368120 O\n0.821276 0.181498 0.165312 O\n0.181498 0.821276 0.165312 O\n0.827373 0.827373 0.155450 O\n0.962113 0.317237 0.755742 O\n0.317237 0.962113 0.755742 O\n0.959386 0.959386 0.762462 O\n0.764231 0.764231 0.700361 O\n0.880848 0.880848 0.314557 O\n0.427523 0.427523 0.717981 F\n0.496864 0.496864 0.498461 F\n0.572087 0.572087 0.288701 F\n0.636559 0.636559 0.088338 F\n0.702919 0.702919 0.892170 F\n",
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"density": 2.774058705565588,
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"volume_molar": 8.011818899528796,
"formula_full": "Na10 Ca5 P5 O20 F5",
"formula_reduced": "Na2CaPO4F",
"formula_anonymous": "ABCD2E4",
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"spacegroup": 8
},
{
"id": "mp-1217709",
"created_at": "2022-09-04T14:40:54.497066Z",
"structure_string": "Tb4 Fe2 Sb2 O14\n1.0\n-3.642898 3.693710 5.170268\n3.642898 -3.693710 5.170268\n3.642898 3.693710 -5.170268\nTb Fe Sb O\n4 2 2 14\ndirect\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.910980 0.160980 0.750000 O\n0.330355 0.580355 0.750000 O\n0.910209 0.578685 0.740261 O\n0.338424 0.169947 0.759739 O\n0.910209 0.169947 0.331524 O\n0.338424 0.578685 0.168476 O\n0.089020 0.839020 0.250000 O\n0.669645 0.419645 0.250000 O\n0.089791 0.421315 0.259739 O\n0.661576 0.830053 0.240261 O\n0.089791 0.830053 0.668476 O\n0.661576 0.421315 0.831524 O\n0.623187 0.873187 0.750000 O\n0.376813 0.126813 0.250000 O\n",
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"formula_full": "Tb4 Fe2 Sb2 O14",
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{
"id": "mp-572902",
"created_at": "2022-09-04T14:40:54.402391Z",
"structure_string": "Cs8 Ce4 As4 S12 Cl8\n1.0\n6.701144 0.000000 0.000000\n0.000000 9.550292 0.000000\n0.000000 0.000000 17.983084\nCs Ce As S Cl\n8 4 4 12 8\ndirect\n0.250000 0.837993 0.219190 Cs\n0.750000 0.337994 0.280810 Cs\n0.250000 0.662007 0.719190 Cs\n0.250000 0.959383 0.927534 Cs\n0.750000 0.040617 0.072466 Cs\n0.750000 0.459383 0.572466 Cs\n0.250000 0.540617 0.427534 Cs\n0.750000 0.162007 0.780810 Cs\n0.250000 0.433624 0.057074 Ce\n0.250000 0.066376 0.557074 Ce\n0.750000 0.933624 0.442926 Ce\n0.750000 0.566376 0.942926 Ce\n0.250000 0.122329 0.365272 As\n0.250000 0.377671 0.865271 As\n0.750000 0.877671 0.634729 As\n0.750000 0.622329 0.134728 As\n0.250000 0.901421 0.409731 S\n0.003836 0.694193 0.060557 S\n0.750000 0.401421 0.090269 S\n0.503836 0.305807 0.939443 S\n0.003836 0.805807 0.560557 S\n0.750000 0.098579 0.590269 S\n0.250000 0.598579 0.909731 S\n0.496164 0.694193 0.060557 S\n0.503836 0.194193 0.439443 S\n0.996164 0.194193 0.439443 S\n0.996164 0.305807 0.939443 S\n0.496164 0.805807 0.560557 S\n0.750000 0.855636 0.894423 Cl\n0.250000 0.355636 0.605577 Cl\n0.250000 0.144364 0.105577 Cl\n0.750000 0.529243 0.783029 Cl\n0.250000 0.029243 0.716971 Cl\n0.750000 0.970757 0.283029 Cl\n0.750000 0.644364 0.394423 Cl\n0.250000 0.470757 0.216971 Cl\n",
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"formula_full": "Cs8 Ce4 As4 S12 Cl8",
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{
"id": "mp-1176466",
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"structure_string": "Mn4 Fe4 Co4 P12 O48\n1.0\n5.947813 0.000000 0.000000\n0.000000 9.915991 0.000000\n0.000000 0.175732 14.579086\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.500000 0.784591 0.480427 Mn\n0.000000 0.717807 0.314365 Mn\n0.000000 0.713803 0.646149 Mn\n0.500000 0.283828 0.019625 Mn\n0.500000 0.775090 0.153183 Fe\n0.500000 0.778021 0.819215 Fe\n0.000000 0.725338 0.986661 Fe\n0.500000 0.275330 0.346934 Fe\n0.500000 0.275881 0.679631 Co\n0.000000 0.218391 0.847732 Co\n0.000000 0.223238 0.183002 Co\n0.000000 0.219092 0.519404 Co\n0.000000 0.902422 0.471298 P\n0.000000 0.902869 0.138665 P\n0.000000 0.901908 0.803095 P\n0.500000 0.598090 0.972528 P\n0.500000 0.599514 0.306492 P\n0.500000 0.596793 0.639736 P\n0.000000 0.401687 0.028149 P\n0.000000 0.400834 0.361963 P\n0.000000 0.399776 0.696267 P\n0.500000 0.096461 0.528117 P\n0.500000 0.099105 0.193123 P\n0.500000 0.100977 0.860448 P\n0.500000 0.945461 0.552751 O\n0.500000 0.949018 0.215602 O\n0.500000 0.950456 0.882549 O\n0.000000 0.881114 0.243418 O\n0.000000 0.879042 0.575905 O\n0.000000 0.881596 0.908068 O\n0.201968 0.829999 0.422782 O\n0.798032 0.829999 0.422782 O\n0.201691 0.828112 0.090774 O\n0.798309 0.828112 0.090774 O\n0.204905 0.828597 0.757854 O\n0.795095 0.828597 0.757854 O\n0.701879 0.672274 0.924044 O\n0.298121 0.672274 0.924044 O\n0.699388 0.673840 0.255484 O\n0.300612 0.673840 0.255484 O\n0.298210 0.666915 0.589574 O\n0.701790 0.666915 0.589574 O\n0.500000 0.617911 0.076293 O\n0.500000 0.618379 0.743020 O\n0.500000 0.621688 0.409999 O\n0.000000 0.552094 0.050975 O\n0.000000 0.552803 0.384338 O\n0.000000 0.551821 0.717989 O\n0.500000 0.446848 0.949933 O\n0.500000 0.449463 0.285451 O\n0.500000 0.442747 0.619896 O\n0.000000 0.384044 0.257222 O\n0.000000 0.381113 0.591537 O\n0.000000 0.380968 0.925027 O\n0.199913 0.327371 0.079790 O\n0.800087 0.327371 0.079790 O\n0.203262 0.327619 0.410235 O\n0.796738 0.327619 0.410235 O\n0.201952 0.328128 0.745844 O\n0.798048 0.328128 0.745844 O\n0.703861 0.170808 0.575585 O\n0.296139 0.170808 0.575585 O\n0.701820 0.174426 0.241564 O\n0.298180 0.174426 0.241564 O\n0.705272 0.173656 0.906460 O\n0.294728 0.173656 0.906460 O\n0.500000 0.123598 0.755086 O\n0.500000 0.116572 0.424103 O\n0.500000 0.119418 0.088588 O\n0.000000 0.054086 0.449421 O\n0.000000 0.053832 0.116539 O\n0.000000 0.053490 0.778456 O\n",
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{
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"structure_string": "La4 Mo2 O12\n1.0\n6.223551 0.000000 0.000000\n0.000000 5.641762 0.000000\n0.000000 4.943585 7.961165\nLa Mo O\n4 2 12\ndirect\n0.583211 0.788867 0.244355 La\n0.083211 0.211133 0.255645 La\n0.916789 0.788867 0.744355 La\n0.416789 0.211133 0.755645 La\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.067132 0.419017 0.723375 O\n0.264070 0.720314 0.416654 O\n0.345556 0.163600 0.049514 O\n0.845556 0.836400 0.450486 O\n0.764070 0.279686 0.083346 O\n0.567132 0.580983 0.776625 O\n0.932868 0.580983 0.276625 O\n0.735930 0.279686 0.583346 O\n0.654444 0.836400 0.950486 O\n0.154444 0.163600 0.549514 O\n0.235930 0.720314 0.916654 O\n0.432868 0.419017 0.223375 O\n",
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{
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