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{
"id": "mp-776734",
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"spacegroup": 62
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{
"id": "mp-769962",
"created_at": "2022-09-04T14:48:10.533042Z",
"structure_string": "Li4 Ti1 Fe3 O8\n1.0\n3.006143 5.175892 0.000000\n-3.006143 5.175892 0.000000\n0.000000 3.479724 4.884425\nLi Ti Fe O\n4 1 3 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.254640 0.254640 0.224515 O\n0.760546 0.760546 0.231786 O\n0.776826 0.238197 0.230508 O\n0.745360 0.745360 0.775485 O\n0.238197 0.776826 0.230508 O\n0.239454 0.239454 0.768214 O\n0.223174 0.761803 0.769492 O\n0.761803 0.223174 0.769492 O\n",
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"O"
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"formula_full": "Li4 Ti1 Fe3 O8",
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{
"id": "mp-1181082",
"created_at": "2022-09-04T14:48:10.536387Z",
"structure_string": "Hg4 S4 N4 Cl4\n1.0\n6.702208 0.000000 0.000000\n0.000000 6.355057 0.000000\n0.000000 0.000000 12.423276\nHg S N Cl\n4 4 4 4\ndirect\n0.616380 0.750000 0.877244 Hg\n0.116380 0.750000 0.622756 Hg\n0.383620 0.250000 0.122756 Hg\n0.883620 0.250000 0.377244 Hg\n0.677344 0.750000 0.086435 S\n0.177344 0.750000 0.413565 S\n0.322656 0.250000 0.913565 S\n0.822656 0.250000 0.586435 S\n0.892679 0.750000 0.114636 N\n0.392679 0.750000 0.385364 N\n0.107321 0.250000 0.885364 N\n0.607321 0.250000 0.614636 N\n0.542799 0.750000 0.679444 Cl\n0.042799 0.750000 0.820556 Cl\n0.457201 0.250000 0.320556 Cl\n0.957201 0.250000 0.179444 Cl\n",
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"volume": 529.143524599756,
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"formula_full": "Hg4 S4 N4 Cl4",
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{
"id": "mp-1213878",
"created_at": "2022-09-04T14:48:10.539615Z",
"structure_string": "Ce16 Cd4 Ir4\n1.0\n0.000000 6.898513 6.898513\n6.898513 0.000000 6.898513\n6.898513 6.898513 0.000000\nCe Cd Ir\n16 4 4\ndirect\n0.349296 0.349296 0.349296 Ce\n0.349296 0.349296 0.952111 Ce\n0.349296 0.952111 0.349296 Ce\n0.952111 0.349296 0.349296 Ce\n0.805728 0.194272 0.194272 Ce\n0.194272 0.805728 0.805728 Ce\n0.194272 0.805728 0.194272 Ce\n0.805728 0.194272 0.805728 Ce\n0.194272 0.194272 0.805728 Ce\n0.805728 0.805728 0.194272 Ce\n0.937992 0.562008 0.562008 Ce\n0.562008 0.937992 0.937992 Ce\n0.562008 0.937992 0.562008 Ce\n0.937992 0.562008 0.937992 Ce\n0.562008 0.562008 0.937992 Ce\n0.937992 0.937992 0.562008 Ce\n0.579178 0.579178 0.579178 Cd\n0.579178 0.579178 0.262467 Cd\n0.579178 0.262467 0.579178 Cd\n0.262467 0.579178 0.579178 Cd\n0.140511 0.140511 0.140511 Ir\n0.140511 0.140511 0.578468 Ir\n0.140511 0.578468 0.140511 Ir\n0.578468 0.140511 0.140511 Ir\n",
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"volume": 656.5933151158207,
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"formula_full": "Ce16 Cd4 Ir4",
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{
"id": "mp-1196773",
"created_at": "2022-09-04T14:48:10.523279Z",
"structure_string": "Cs4 Mo6 P10 O38\n1.0\n-0.021440 0.000000 6.596508\n9.602798 0.000000 -2.685289\n0.000000 14.784621 0.000000\nCs Mo P O\n4 6 10 38\ndirect\n0.000000 0.500000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.044575 0.862728 0.250000 Cs\n0.955425 0.137272 0.750000 Cs\n0.378768 0.534058 0.250000 Mo\n0.621232 0.465942 0.750000 Mo\n0.717909 0.144627 0.374030 Mo\n0.282091 0.855373 0.874030 Mo\n0.282091 0.855373 0.625970 Mo\n0.717909 0.144627 0.125970 Mo\n0.837314 0.445567 0.250000 P\n0.162686 0.554433 0.750000 P\n0.267932 0.236913 0.397719 P\n0.732068 0.763087 0.897719 P\n0.732068 0.763087 0.602281 P\n0.267932 0.236913 0.102281 P\n0.490382 0.210409 0.565968 P\n0.509618 0.789591 0.065968 P\n0.509618 0.789591 0.434032 P\n0.490382 0.210409 0.934032 P\n0.699991 0.547385 0.250000 O\n0.300009 0.452615 0.750000 O\n0.796403 0.354390 0.337270 O\n0.203597 0.645610 0.837270 O\n0.203597 0.645610 0.662730 O\n0.796403 0.354390 0.162730 O\n0.063111 0.542576 0.250000 O\n0.936889 0.457424 0.750000 O\n0.304542 0.376730 0.351920 O\n0.695458 0.623270 0.851920 O\n0.695458 0.623270 0.648080 O\n0.304542 0.376730 0.148080 O\n0.395491 0.139345 0.362718 O\n0.604509 0.860655 0.862718 O\n0.604509 0.860655 0.637282 O\n0.395491 0.139345 0.137282 O\n0.034733 0.155399 0.403051 O\n0.965267 0.844601 0.903051 O\n0.965267 0.844601 0.596949 O\n0.034733 0.155399 0.096949 O\n0.343605 0.278417 0.502210 O\n0.656395 0.721583 0.002210 O\n0.656395 0.721583 0.497790 O\n0.343605 0.278417 0.997790 O\n0.681922 0.201544 0.507870 O\n0.318078 0.798456 0.007870 O\n0.318078 0.798456 0.492130 O\n0.681922 0.201544 0.992130 O\n0.560723 0.309030 0.644141 O\n0.439277 0.690970 0.144141 O\n0.439277 0.690970 0.355859 O\n0.560723 0.309030 0.855859 O\n0.353002 0.067601 0.594176 O\n0.646998 0.932399 0.094176 O\n0.646998 0.932399 0.405824 O\n0.353002 0.067601 0.905824 O\n0.735824 0.106279 0.250000 O\n0.264176 0.893721 0.750000 O\n",
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{
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"structure_string": "Ba2 Al1 Tl1 W2 O7\n1.0\n4.074578 0.000000 0.000000\n0.000000 4.074578 0.000000\n0.000000 0.000000 13.586384\nBa Al Tl W O\n2 1 1 2 7\ndirect\n0.000000 0.000000 0.187847 Ba\n0.000000 0.000000 0.812153 Ba\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.352895 W\n0.500000 0.500000 0.647105 W\n0.500000 0.500000 0.202125 O\n0.500000 0.000000 0.356859 O\n0.000000 0.500000 0.356859 O\n0.000000 0.500000 0.643141 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.643141 O\n0.500000 0.500000 0.797875 O\n",
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{
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{
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{
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