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{
"id": "mp-723406",
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{
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{
"id": "mp-1172435",
"created_at": "2022-09-04T14:46:17.091413Z",
"structure_string": "Si2 As6\n1.0\n4.053915 -7.021587 0.000000\n4.053915 7.021587 0.000000\n0.000000 0.000000 4.348401\nSi As\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.230997 0.461993 0.250000 As\n0.538007 0.769003 0.250000 As\n0.230997 0.769003 0.250000 As\n0.769003 0.538007 0.750000 As\n0.461993 0.230997 0.750000 As\n0.769003 0.230997 0.750000 As\n",
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"formula_full": "Si2 As6",
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{
"id": "mp-1113948",
"created_at": "2022-09-04T14:46:16.272337Z",
"structure_string": "Rb2 Ta1 Cu1 Cl6\n1.0\n7.152971 -0.000000 -0.000000\n3.576486 6.194655 -0.000000\n3.576486 2.064885 5.840376\nRb Ta Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.253361 0.746639 0.253361 Cl\n0.746639 0.746639 0.253361 Cl\n0.746639 0.253361 0.746639 Cl\n0.746639 0.253361 0.253361 Cl\n0.253361 0.746639 0.746639 Cl\n0.253361 0.253361 0.746639 Cl\n",
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"volume": 258.7881560393555,
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"formula_full": "Rb2 Ta1 Cu1 Cl6",
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{
"id": "mp-1246404",
"created_at": "2022-09-04T14:46:18.699966Z",
"structure_string": "Ba6 Ru4 N8\n1.0\n7.775941 0.066348 -0.204333\n-5.842177 7.465597 0.000000\n-0.264244 -0.206783 5.732965\nBa Ru N\n6 4 8\ndirect\n0.254852 0.993336 0.045065 Ba\n0.745148 0.738484 0.454935 Ba\n0.745148 0.006664 0.954935 Ba\n0.254852 0.261516 0.545065 Ba\n0.000000 0.594432 0.750000 Ba\n0.000000 0.405568 0.250000 Ba\n0.577939 0.160117 0.573041 Ru\n0.422061 0.582178 0.926959 Ru\n0.422061 0.839883 0.426959 Ru\n0.577939 0.417822 0.073041 Ru\n0.263965 0.935978 0.542199 N\n0.736035 0.672013 0.957801 N\n0.736035 0.064022 0.457801 N\n0.263965 0.327987 0.042199 N\n0.641540 0.272468 0.892361 N\n0.358460 0.630926 0.607639 N\n0.358460 0.727532 0.107639 N\n0.641540 0.369074 0.392361 N\n",
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"elements": [
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],
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"density": 6.6558887202569466,
"density_atomic": 0.05383055632372708,
"volume": 334.38257430874955,
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"formula_full": "Ba6 Ru4 N8",
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},
{
"id": "mp-1013705",
"created_at": "2022-09-04T14:46:37.130602Z",
"structure_string": "Sr3 Bi1 As1\n1.0\n6.196805 0.000000 0.000000\n0.000000 6.196805 0.000000\n0.000000 0.000000 6.196805\nSr Bi As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 As\n",
"nsites": 5,
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"elements": [
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"density": 3.815433870601266,
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"formula_full": "Sr3 Bi1 As1",
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},
{
"id": "mp-1247658",
"created_at": "2022-09-04T14:46:18.683243Z",
"structure_string": "Sr1 Ca7 Mn7 Cr1 O20\n1.0\n7.861278 -0.043787 0.117533\n-0.043787 7.861278 0.117533\n0.117370 0.117370 7.678065\nSr Ca Mn Cr O\n1 7 7 1 20\ndirect\n0.249376 0.249376 0.252745 Sr\n0.272723 0.272723 0.701864 Ca\n0.255681 0.733467 0.261634 Ca\n0.254575 0.722467 0.712258 Ca\n0.733467 0.255681 0.261634 Ca\n0.722467 0.254575 0.712258 Ca\n0.744453 0.744453 0.270250 Ca\n0.731614 0.731614 0.727444 Ca\n0.000855 0.000855 0.524338 Mn\n0.997596 0.489084 0.001564 Mn\n0.999460 0.508020 0.493502 Mn\n0.489084 0.997596 0.001564 Mn\n0.508020 0.999460 0.493502 Mn\n0.505445 0.505445 0.993761 Mn\n0.504885 0.504885 0.492079 Mn\n0.014763 0.014763 0.985580 Cr\n0.932694 0.932694 0.791669 O\n0.019446 0.532354 0.242512 O\n0.995355 0.529236 0.749842 O\n0.532354 0.019446 0.242512 O\n0.529236 0.995355 0.749842 O\n0.510886 0.510886 0.742206 O\n0.220795 0.956793 0.060127 O\n0.250509 0.005432 0.525974 O\n0.254391 0.506680 0.999206 O\n0.262242 0.502084 0.488938 O\n0.763917 0.009071 0.468442 O\n0.749113 0.518669 0.036064 O\n0.744504 0.501368 0.468967 O\n0.956793 0.220795 0.060127 O\n0.005432 0.250509 0.525974 O\n0.009071 0.763917 0.468442 O\n0.506680 0.254391 0.999206 O\n0.502084 0.262242 0.488938 O\n0.518669 0.749113 0.036064 O\n0.501368 0.744504 0.468967 O\n",
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{
"id": "mp-1227889",
"created_at": "2022-09-04T14:46:18.686169Z",
"structure_string": "Cu4 Bi10 Pb10 S28\n1.0\n0.000000 0.000000 4.056785\n15.007140 0.000000 0.000000\n0.000000 21.271542 0.000000\nCu Bi Pb S\n4 10 10 28\ndirect\n0.250000 0.827751 0.675100 Cu\n0.250000 0.672249 0.175100 Cu\n0.750000 0.172195 0.324296 Cu\n0.750000 0.327805 0.824296 Cu\n0.250000 0.896207 0.972042 Bi\n0.250000 0.603793 0.472042 Bi\n0.750000 0.107680 0.032428 Bi\n0.750000 0.392320 0.532428 Bi\n0.250000 0.534546 0.841229 Bi\n0.250000 0.965454 0.341229 Bi\n0.750000 0.465951 0.157945 Bi\n0.750000 0.034049 0.657945 Bi\n0.750000 0.661728 0.307846 Bi\n0.750000 0.838272 0.807846 Bi\n0.250000 0.864659 0.519313 Pb\n0.250000 0.635341 0.019313 Pb\n0.750000 0.140545 0.478930 Pb\n0.750000 0.359455 0.978930 Pb\n0.250000 0.107539 0.835310 Pb\n0.250000 0.392461 0.335310 Pb\n0.750000 0.894536 0.165017 Pb\n0.750000 0.605464 0.665017 Pb\n0.250000 0.331604 0.692268 Pb\n0.250000 0.168396 0.192268 Pb\n0.250000 0.961632 0.742668 S\n0.250000 0.538368 0.242668 S\n0.750000 0.032227 0.261604 S\n0.750000 0.467773 0.761604 S\n0.250000 0.769644 0.882948 S\n0.250000 0.730356 0.382948 S\n0.750000 0.237543 0.112585 S\n0.750000 0.262457 0.612585 S\n0.250000 0.045678 0.568219 S\n0.250000 0.454322 0.068219 S\n0.750000 0.953275 0.435286 S\n0.750000 0.546725 0.935286 S\n0.250000 0.188802 0.965592 S\n0.250000 0.311198 0.465592 S\n0.750000 0.809200 0.031872 S\n0.750000 0.690800 0.531872 S\n0.250000 0.364094 0.872767 S\n0.250000 0.135906 0.372767 S\n0.750000 0.635799 0.127728 S\n0.750000 0.864201 0.627728 S\n0.250000 0.483178 0.605032 S\n0.250000 0.016822 0.105032 S\n0.750000 0.525713 0.390160 S\n0.750000 0.974287 0.890160 S\n0.250000 0.701175 0.732482 S\n0.250000 0.798825 0.232482 S\n0.750000 0.301215 0.269332 S\n0.750000 0.198785 0.769332 S\n",
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"formula_full": "Cu4 Bi10 Pb10 S28",
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{
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"structure_string": "Cr8 Fe1 Co2 Cu1 S16\n1.0\n11.546277 -3.497597 0.000000\n11.546277 3.497597 0.000000\n10.486785 0.000000 5.964649\nCr Fe Co Cu S\n8 1 2 1 16\ndirect\n0.749011 0.749011 0.749011 Cr\n0.250116 0.250116 0.250116 Cr\n0.997859 0.501265 0.501265 Cr\n0.497954 0.001320 0.001320 Cr\n0.501265 0.997859 0.501265 Cr\n0.001320 0.497954 0.001320 Cr\n0.501265 0.501265 0.997859 Cr\n0.001320 0.001320 0.497954 Cr\n0.437522 0.437522 0.437522 Fe\n0.562172 0.562172 0.562172 Co\n0.937752 0.937752 0.937752 Co\n0.062456 0.062456 0.062456 Cu\n0.129250 0.129250 0.129250 S\n0.627627 0.627627 0.627627 S\n0.394614 0.863031 0.863031 S\n0.890056 0.366284 0.366284 S\n0.863031 0.394614 0.863031 S\n0.366284 0.890056 0.366284 S\n0.863031 0.863031 0.394614 S\n0.366284 0.366284 0.890056 S\n0.371417 0.371417 0.371417 S\n0.872024 0.872024 0.872024 S\n0.107877 0.635390 0.635390 S\n0.609625 0.134046 0.134046 S\n0.635390 0.107877 0.635390 S\n0.134046 0.609625 0.134046 S\n0.635390 0.635390 0.107877 S\n0.134046 0.134046 0.609625 S\n",
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{
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"structure_string": "Ca2 Bi1 W1 O6\n1.0\n-0.000000 -4.257385 -4.257385\n4.257385 -0.000000 -4.257385\n4.257385 -4.257385 -0.000000\nCa Bi W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n-0.000000 0.000000 -0.000000 Bi\n0.500000 0.500000 0.500000 W\n0.732381 0.267619 0.267619 O\n0.267619 0.732381 0.732381 O\n0.732381 0.267619 0.732381 O\n0.267619 0.732381 0.267619 O\n0.732381 0.732381 0.267619 O\n0.267619 0.267619 0.732381 O\n",
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