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{
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{
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{
"id": "mp-1217023",
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"structure_string": "Ti1 B2 W1\n1.0\n1.593276 -4.213224 0.000000\n1.593276 4.213224 0.000000\n0.000000 0.000000 3.085315\nTi B W\n1 2 1\ndirect\n0.146161 0.853839 0.500000 Ti\n0.439694 0.560306 0.500000 B\n0.560538 0.439462 0.000000 B\n0.853607 0.146393 0.000000 W\n",
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{
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{
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"structure_string": "Ca4 V4 O10\n1.0\n3.971948 0.000000 0.000000\n0.000000 5.525500 0.000000\n0.000000 0.000000 10.269061\nCa V O\n4 4 10\ndirect\n0.500000 0.708748 0.375334 Ca\n0.500000 0.291252 0.624666 Ca\n0.500000 0.208748 0.124666 Ca\n0.500000 0.791252 0.875334 Ca\n0.000000 0.725306 0.126889 V\n0.000000 0.274694 0.873111 V\n0.000000 0.774694 0.626889 V\n0.000000 0.225306 0.373111 V\n0.000000 0.000000 0.000000 O\n0.000000 0.603221 0.798870 O\n0.000000 0.103221 0.701130 O\n0.000000 0.896779 0.298870 O\n0.500000 0.788366 0.606696 O\n0.500000 0.211634 0.393304 O\n0.000000 0.396779 0.201130 O\n0.500000 0.711634 0.106696 O\n0.000000 0.500000 0.500000 O\n0.500000 0.288366 0.893304 O\n",
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{
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"structure_string": "Ag1 Mo6 Se4 S4\n1.0\n6.623526 0.000000 0.000000\n-0.136835 6.674173 0.000000\n-0.200871 -0.125112 6.700627\nAg Mo Se S\n1 6 4 4\ndirect\n0.999451 0.000013 0.998405 Ag\n0.559177 0.227752 0.413170 Mo\n0.411819 0.552149 0.229864 Mo\n0.216347 0.404402 0.558273 Mo\n0.443672 0.777471 0.587581 Mo\n0.588407 0.443073 0.776233 Mo\n0.786671 0.587138 0.444961 Mo\n0.627061 0.875779 0.254387 Se\n0.251847 0.622516 0.876396 Se\n0.218219 0.218834 0.225575 Se\n0.780119 0.777158 0.774731 Se\n0.133713 0.719642 0.390930 S\n0.388777 0.130862 0.721740 S\n0.725926 0.388677 0.133068 S\n0.868794 0.274534 0.614685 S\n",
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{
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},
{
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"created_at": "2022-09-04T14:39:23.542238Z",
"structure_string": "Co2 Se2\n1.0\n1.803713 -3.124122 0.000000\n1.803713 3.124122 0.000000\n0.000000 0.000000 5.207417\nCo Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
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"nelements": 2,
"elements": [
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"Se"
],
"chemical_system": "Co-Se",
"density": 7.80322545064746,
"density_atomic": 0.06815727500121077,
"volume": 58.687792314598006,
"volume_molar": 8.835653655303885,
"formula_full": "Co2 Se2",
"formula_reduced": "CoSe",
"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:34:25.582000Z",
"spacegroup": 194
},
{
"id": "mp-1216922",
"created_at": "2022-09-04T14:39:23.544539Z",
"structure_string": "Ti1 In1 Cu2\n1.0\n3.150826 0.000000 0.000000\n0.000000 3.150826 0.000000\n0.000000 0.000000 6.346491\nTi In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.727471 Cu\n0.000000 0.000000 0.272529 Cu\n",
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"nelements": 3,
"elements": [
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"In",
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],
"chemical_system": "Cu-In-Ti",
"density": 7.637135567175419,
"density_atomic": 0.0634859293934669,
"volume": 63.00608714742429,
"volume_molar": 9.485788138465399,
"formula_full": "Ti1 In1 Cu2",
"formula_reduced": "TiInCu2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:35.887000Z",
"spacegroup": 123
}
]
}