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{
"id": "mp-1178267",
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"structure_string": "La4 Eu2 O8\n1.0\n0.000000 5.153307 5.153307\n5.153307 0.000000 5.153307\n5.153307 5.153307 0.000000\nLa Eu O\n4 2 8\ndirect\n0.125000 0.125000 0.125000 La\n0.125000 0.125000 0.625000 La\n0.125000 0.625000 0.125000 La\n0.625000 0.125000 0.125000 La\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Eu\n0.913427 0.362191 0.362191 O\n0.362191 0.913427 0.362191 O\n0.887809 0.887809 0.887809 O\n0.362191 0.362191 0.913427 O\n0.336573 0.887809 0.887809 O\n0.887809 0.336573 0.887809 O\n0.362191 0.362191 0.362191 O\n0.887809 0.887809 0.336573 O\n",
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{
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"structure_string": "K2 Ba2 Si2 H2 O8\n1.0\n8.131681 0.000000 0.000000\n0.000000 5.882797 0.000000\n0.000000 2.867829 5.320790\nK Ba Si H O\n2 2 2 2 8\ndirect\n0.230906 0.369772 0.296674 K\n0.730906 0.630228 0.703326 K\n0.483036 0.013869 0.993353 Ba\n0.983036 0.986131 0.006647 Ba\n0.245451 0.701068 0.621301 Si\n0.745451 0.298932 0.378699 Si\n0.009792 0.513460 0.538618 H\n0.509792 0.486540 0.461382 H\n0.238915 0.837357 0.801790 O\n0.738915 0.162643 0.198210 O\n0.236507 0.906413 0.319802 O\n0.736507 0.093587 0.680198 O\n0.402166 0.501795 0.682965 O\n0.902166 0.498205 0.317035 O\n0.070225 0.512462 0.687484 O\n0.570225 0.487538 0.312516 O\n",
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"formula_full": "K2 Ba2 Si2 H2 O8",
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{
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"created_at": "2022-09-04T14:42:06.722271Z",
"structure_string": "Li4 Y4 Si4 O16\n1.0\n6.251053 0.000000 0.000000\n0.000000 5.451997 0.000000\n0.000000 4.383883 10.023273\nLi Y Si O\n4 4 4 16\ndirect\n0.134111 0.918484 0.429857 Li\n0.634111 0.081516 0.070143 Li\n0.865889 0.081516 0.570143 Li\n0.365889 0.918484 0.929857 Li\n0.115970 0.445838 0.847382 Y\n0.884030 0.554162 0.152618 Y\n0.615970 0.554162 0.652618 Y\n0.384030 0.445838 0.347382 Y\n0.652177 0.903655 0.359355 Si\n0.347823 0.096345 0.640645 Si\n0.152177 0.096345 0.140645 Si\n0.847823 0.903655 0.859355 Si\n0.858547 0.230029 0.775724 O\n0.641453 0.230029 0.275724 O\n0.163325 0.185339 0.524201 O\n0.837223 0.757634 0.752823 O\n0.141453 0.769971 0.224276 O\n0.570745 0.225863 0.555302 O\n0.662777 0.757634 0.252823 O\n0.429255 0.774137 0.444698 O\n0.070745 0.774137 0.944698 O\n0.663325 0.814661 0.975799 O\n0.162777 0.242366 0.247177 O\n0.929255 0.225863 0.055302 O\n0.336675 0.185339 0.024201 O\n0.337223 0.242366 0.747177 O\n0.358547 0.769971 0.724276 O\n0.836675 0.814661 0.475799 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 3.654153093323139,
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"formula_full": "Li4 Y4 Si4 O16",
"formula_reduced": "LiYSiO4",
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"spacegroup": 14
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{
"id": "mp-1204205",
"created_at": "2022-09-04T14:42:08.533718Z",
"structure_string": "Zn4 C32 N8 Cl16\n1.0\n8.354440 0.000000 0.000000\n0.000000 12.749015 0.000000\n0.000000 0.000000 16.245149\nZn C N Cl\n4 32 8 16\ndirect\n0.750000 0.194989 0.062309 Zn\n0.750000 0.694989 0.437691 Zn\n0.250000 0.805011 0.937691 Zn\n0.250000 0.305011 0.562309 Zn\n0.750000 0.257381 0.413411 C\n0.750000 0.757381 0.086589 C\n0.250000 0.742619 0.586589 C\n0.250000 0.242619 0.913411 C\n0.750000 0.453471 0.374333 C\n0.750000 0.953471 0.125667 C\n0.250000 0.546529 0.625667 C\n0.250000 0.046529 0.874333 C\n0.598227 0.488900 0.347421 C\n0.901773 0.988900 0.152579 C\n0.098227 0.511100 0.652579 C\n0.401773 0.011100 0.847421 C\n0.401773 0.511100 0.652579 C\n0.098227 0.011100 0.847421 C\n0.901773 0.488900 0.347421 C\n0.598227 0.988900 0.152579 C\n0.750000 0.988445 0.560302 C\n0.750000 0.488445 0.939698 C\n0.250000 0.011555 0.439698 C\n0.250000 0.511555 0.060302 C\n0.750000 0.066024 0.753647 C\n0.750000 0.566024 0.746353 C\n0.250000 0.933976 0.246353 C\n0.250000 0.433976 0.253647 C\n0.635038 0.973036 0.621907 C\n0.864962 0.473036 0.878093 C\n0.135038 0.026964 0.378093 C\n0.364962 0.526964 0.121907 C\n0.364962 0.026964 0.378093 C\n0.135038 0.526964 0.121907 C\n0.864962 0.973036 0.621907 C\n0.635038 0.473036 0.878093 C\n0.750000 0.346571 0.393448 N\n0.750000 0.846571 0.106552 N\n0.250000 0.653429 0.606552 N\n0.250000 0.153429 0.893448 N\n0.750000 0.012772 0.690859 N\n0.750000 0.512772 0.809141 N\n0.250000 0.987228 0.309141 N\n0.250000 0.487228 0.190859 N\n0.750000 0.473004 0.041782 Cl\n0.750000 0.973004 0.458218 Cl\n0.250000 0.526996 0.958218 Cl\n0.250000 0.026996 0.541782 Cl\n0.750000 0.211199 0.934381 Cl\n0.750000 0.711199 0.565619 Cl\n0.250000 0.788801 0.065619 Cl\n0.250000 0.288801 0.434381 Cl\n0.944177 0.125253 0.148203 Cl\n0.555823 0.625253 0.351797 Cl\n0.444177 0.874747 0.851797 Cl\n0.055823 0.374747 0.648203 Cl\n0.055823 0.874747 0.851797 Cl\n0.444177 0.374747 0.648203 Cl\n0.555823 0.125253 0.148203 Cl\n0.944177 0.625253 0.351797 Cl\n",
"nsites": 60,
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"elements": [
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],
"chemical_system": "C-Cl-N-Zn",
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"volume": 1730.2851299616177,
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"formula_full": "Zn4 C32 N8 Cl16",
"formula_reduced": "ZnC8(NCl2)2",
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"energy": -340.19094336,
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"updated_at": "2021-11-28T01:35:33.053000Z",
"spacegroup": 62
},
{
"id": "mp-1174135",
"created_at": "2022-09-04T14:42:04.300863Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n2.932592 5.089528 0.000000\n-2.932592 5.089528 0.000000\n0.000000 1.752348 4.847847\nLi Mn Co O\n4 1 3 8\ndirect\n0.249146 0.249146 0.498265 Li\n0.249550 0.750450 0.500000 Li\n0.750450 0.249550 0.500000 Li\n0.750854 0.750854 0.501735 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.379740 0.379740 0.774553 O\n0.385399 0.854174 0.770256 O\n0.854174 0.385399 0.770256 O\n0.864563 0.864563 0.770670 O\n0.135437 0.135437 0.229330 O\n0.145826 0.614601 0.229744 O\n0.614601 0.145826 0.229744 O\n0.620260 0.620260 0.225447 O\n",
"nsites": 16,
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],
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"formula_full": "Li4 Mn1 Co3 O8",
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"spacegroup": 12
},
{
"id": "mp-1197608",
"created_at": "2022-09-04T14:41:57.758656Z",
"structure_string": "Na12 Mg4 P12 H96 O88\n1.0\n-0.000000 -9.268600 0.000000\n-14.764793 -0.000001 0.033371\n0.031474 0.000000 -15.164086\nNa Mg P H O\n12 4 12 96 88\ndirect\n0.966337 0.142677 0.209318 Na\n0.533663 0.642677 0.709318 Na\n0.033663 0.857323 0.790682 Na\n0.466337 0.357323 0.290682 Na\n0.235623 0.247170 0.937727 Na\n0.264377 0.747170 0.437727 Na\n0.764377 0.752830 0.062273 Na\n0.735623 0.252830 0.562273 Na\n0.808678 0.386001 0.204012 Na\n0.691322 0.886001 0.704012 Na\n0.191322 0.613999 0.795988 Na\n0.308678 0.113999 0.295988 Na\n0.956712 0.248813 0.819811 Mg\n0.543287 0.748813 0.319811 Mg\n0.043288 0.751187 0.180189 Mg\n0.456713 0.251187 0.680189 Mg\n0.727378 0.404415 0.901284 P\n0.772621 0.904415 0.401284 P\n0.272622 0.595585 0.098716 P\n0.227379 0.095585 0.598716 P\n0.721033 0.108357 0.909327 P\n0.778967 0.608357 0.409327 P\n0.278967 0.891643 0.090673 P\n0.221033 0.391643 0.590673 P\n0.843209 0.259617 0.016641 P\n0.656791 0.759617 0.516641 P\n0.156791 0.740383 0.983359 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