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{
"id": "mp-1228614",
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{
"id": "mp-1205316",
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"spacegroup": 194
},
{
"id": "mp-11213",
"created_at": "2022-09-04T14:43:14.204079Z",
"structure_string": "Ba2 Ag2 Sb2\n1.0\n2.879630 -4.987666 0.000000\n2.879630 4.987666 0.000000\n0.000000 0.000000 6.950222\nBa Ag Sb\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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},
{
"id": "mp-984720",
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"structure_string": "Ba2 Ag1 Sb1\n1.0\n0.000000 4.196577 4.196577\n4.196577 0.000000 4.196577\n4.196577 4.196577 0.000000\nBa Ag Sb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n",
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"spacegroup": 225
},
{
"id": "mp-569114",
"created_at": "2022-09-04T14:40:59.954564Z",
"structure_string": "Ba1 Ag2 Sn1 Se4\n1.0\n-3.599526 3.810360 4.291017\n3.599526 -3.810360 4.291017\n3.599526 3.810360 -4.291017\nBa Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.309619 0.809619 0.500000 Ag\n0.690381 0.190381 0.500000 Ag\n0.500000 0.500000 0.000000 Sn\n0.521463 0.531623 0.400910 Se\n0.478537 0.879447 0.010160 Se\n0.130712 0.120553 0.599090 Se\n0.869288 0.468377 0.989840 Se\n",
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"formula_full": "Ba1 Ag2 Sn1 Se4",
"formula_reduced": "BaAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy": -33.33475765,
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"updated_at": "2021-11-28T01:35:13.348000Z",
"spacegroup": 23
},
{
"id": "mp-6647",
"created_at": "2022-09-04T14:46:59.368455Z",
"structure_string": "Ba2 Y2 Ag2 Se6\n1.0\n2.148425 -7.171130 0.000000\n2.148425 7.171130 0.000000\n0.000000 0.000000 10.813119\nBa Y Ag Se\n2 2 2 6\ndirect\n0.248754 0.751246 0.250000 Ba\n0.751246 0.248754 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.530375 0.469625 0.250000 Ag\n0.469625 0.530375 0.750000 Ag\n0.364544 0.635456 0.550088 Se\n0.635456 0.364544 0.449912 Se\n0.635456 0.364544 0.050088 Se\n0.079589 0.920411 0.750000 Se\n0.920411 0.079589 0.250000 Se\n0.364544 0.635456 0.949912 Se\n",
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],
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"density_atomic": 0.03601575098673359,
"volume": 333.1875546457494,
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"formula_full": "Ba2 Y2 Ag2 Se6",
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{
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"created_at": "2022-09-04T14:45:07.215150Z",
"structure_string": "Ba8 Si12 Ag4\n1.0\n0.000000 7.510792 9.975634\n4.331655 0.000000 9.975634\n4.331655 7.510792 0.000000\nBa Si Ag\n8 12 4\ndirect\n0.125588 0.125588 0.374412 Ba\n0.875588 0.875588 0.124412 Ba\n0.124412 0.124412 0.875588 Ba\n0.374412 0.374412 0.125588 Ba\n0.624203 0.624203 0.375797 Ba\n0.375797 0.375797 0.624203 Ba\n0.625797 0.625797 0.874203 Ba\n0.874203 0.874203 0.625797 Ba\n0.337732 0.656338 0.821611 Si\n0.184318 0.821611 0.656338 Si\n0.821611 0.184318 0.337732 Si\n0.656338 0.337732 0.184318 Si\n0.912268 0.593662 0.428389 Si\n0.065682 0.428389 0.593662 Si\n0.428389 0.065682 0.912268 Si\n0.909622 0.590378 0.909622 Si\n0.659622 0.340378 0.659622 Si\n0.340378 0.659622 0.340378 Si\n0.590378 0.909622 0.590378 Si\n0.593662 0.912268 0.065682 Si\n0.083033 0.416967 0.083033 Ag\n0.166967 0.833033 0.166967 Ag\n0.416967 0.083033 0.416967 Ag\n0.833033 0.166967 0.833033 Ag\n",
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{
"id": "mp-7882",
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"structure_string": "Ba1 Ag2 Sn2\n1.0\n-2.454791 2.454791 5.780995\n2.454791 -2.454791 5.780995\n2.454791 2.454791 -5.780995\nBa Ag Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Ag\n0.626255 0.626255 0.000000 Sn\n0.373745 0.373745 0.000000 Sn\n",
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{
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{
"id": "mp-1093927",
"created_at": "2022-09-04T14:44:30.345246Z",
"structure_string": "Ba1 Sr1 Ag2\n1.0\n-6.490749 6.706106 9.508083\n6.490749 -6.706106 9.508083\n6.490749 6.706106 -9.508083\nBa Sr Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.244612 0.244612 Ag\n0.000000 0.755388 0.755388 Ag\n",
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{
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"created_at": "2022-09-04T14:46:04.898863Z",
"structure_string": "Ba3 Sr1 Ag4\n1.0\n4.988713 0.000000 0.000000\n0.000000 6.621815 0.000000\n0.000000 0.109890 8.655352\nBa Sr Ag\n3 1 4\ndirect\n0.500000 0.368098 0.180479 Ba\n0.000000 0.870709 0.322280 Ba\n0.000000 0.631029 0.817745 Ba\n0.500000 0.132791 0.681303 Sr\n0.500000 0.617018 0.536278 Ag\n0.500000 0.883649 0.030985 Ag\n0.000000 0.377937 0.469674 Ag\n0.000000 0.118769 0.961255 Ag\n",
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{
"id": "mp-1190401",
"created_at": "2022-09-04T14:46:38.291027Z",
"structure_string": "Ba4 Ag4 Sb4 S12\n1.0\n4.103301 4.740535 0.000000\n-4.103301 4.740535 0.000000\n0.000000 3.472286 17.067989\nBa Ag Sb S\n4 4 4 12\ndirect\n0.451417 0.202867 0.610565 Ba\n0.797133 0.548583 0.889435 Ba\n0.548583 0.797133 0.389435 Ba\n0.202867 0.451417 0.110565 Ba\n0.924893 0.075107 0.750000 Ag\n0.075107 0.924893 0.250000 Ag\n0.304861 0.695139 0.750000 Ag\n0.695139 0.304861 0.250000 Ag\n0.974563 0.687001 0.580331 Sb\n0.312999 0.025437 0.919669 Sb\n0.025437 0.312999 0.419669 Sb\n0.687001 0.974563 0.080331 Sb\n0.035837 0.494708 0.714160 S\n0.505292 0.964163 0.785840 S\n0.964163 0.505292 0.285840 S\n0.494708 0.035837 0.214160 S\n0.581671 0.695192 0.581653 S\n0.304808 0.418329 0.918347 S\n0.418329 0.304808 0.418347 S\n0.695192 0.581671 0.081653 S\n0.975528 0.063332 0.605424 S\n0.936668 0.024472 0.894576 S\n0.024472 0.936668 0.394576 S\n0.063332 0.975528 0.105424 S\n",
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]
}