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{
"id": "mp-1041565",
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"structure_string": "Ti4 O8\n1.0\n-2.973160 3.287369 3.287402\n2.973160 -3.287369 3.287402\n2.973160 3.287369 -3.287402\nTi O\n4 8\ndirect\n0.504755 0.754755 0.750000 Ti\n0.495245 0.245245 0.250000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.304919 0.304770 0.499851 O\n0.195484 0.250383 0.945101 O\n0.304919 0.805068 0.000149 O\n0.805282 0.250383 0.554899 O\n0.194718 0.749617 0.445101 O\n0.804516 0.749617 0.054899 O\n0.695081 0.194932 0.999851 O\n0.695081 0.695230 0.500149 O\n",
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{
"id": "mp-976356",
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"formula_full": "Nd2 Sc6",
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{
"id": "mp-1064715",
"created_at": "2022-09-04T14:40:57.823769Z",
"structure_string": "Na1 N3\n1.0\n3.028564 1.131918 -1.849414\n3.028564 -1.131918 -1.849414\n0.719563 0.000000 -6.455459\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 N\n0.893305 0.893305 0.704109 N\n0.106695 0.106695 0.295891 N\n",
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"updated_at": "2021-11-28T01:35:00.369000Z",
"spacegroup": 12
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{
"id": "mp-1103521",
"created_at": "2022-09-04T14:41:08.703732Z",
"structure_string": "Sr8 Rh5\n1.0\n7.315578 0.000000 0.000000\n0.000000 7.315578 0.000000\n0.000000 0.000000 7.315578\nSr Rh\n8 5\ndirect\n0.251100 0.251100 0.748900 Sr\n0.251100 0.748900 0.251100 Sr\n0.748900 0.251100 0.251100 Sr\n0.748900 0.748900 0.748900 Sr\n0.748900 0.748900 0.251100 Sr\n0.748900 0.251100 0.748900 Sr\n0.251100 0.748900 0.748900 Sr\n0.251100 0.251100 0.251100 Sr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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"elements": [
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"density": 5.155296625963179,
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"volume": 391.51277320281656,
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"formula_full": "Sr8 Rh5",
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{
"id": "mp-1183296",
"created_at": "2022-09-04T14:41:08.715046Z",
"structure_string": "B2 Pb6\n1.0\n6.497065 -0.009344 0.000000\n-3.256619 5.619527 0.000000\n0.000000 0.000000 5.899796\nB Pb\n2 6\ndirect\n0.333261 0.666724 0.750001 B\n0.666743 0.333270 0.250001 B\n0.169656 0.339486 0.250001 Pb\n0.660517 0.830345 0.250001 Pb\n0.169851 0.830211 0.250001 Pb\n0.830340 0.660513 0.750001 Pb\n0.339484 0.169656 0.750001 Pb\n0.830149 0.169792 0.750001 Pb\n",
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"density": 9.75858065311388,
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"volume": 215.22457188740466,
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"formula_full": "B2 Pb6",
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"updated_at": "2021-11-28T01:35:16.027000Z",
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{
"id": "mp-1007652",
"created_at": "2022-09-04T14:41:03.739770Z",
"structure_string": "In2 As2\n1.0\n2.184531 -3.783719 0.000000\n2.184531 3.783719 0.000000\n0.000000 0.000000 7.163801\nIn As\n2 2\ndirect\n0.666667 0.333333 0.500114 In\n0.333333 0.666667 0.000114 In\n0.666667 0.333333 0.875386 As\n0.333333 0.666667 0.375386 As\n",
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"density": 5.320916908680534,
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"volume": 118.42696425762738,
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{
"id": "mp-1013587",
"created_at": "2022-09-04T14:41:06.742257Z",
"structure_string": "Sr3 Bi2\n1.0\n6.244921 0.000000 0.000000\n0.000000 6.244921 0.000000\n0.000000 0.000000 6.244921\nSr Bi\n3 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n",
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"density": 4.64195650311884,
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"volume": 243.54591323599962,
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"formula_full": "Sr3 Bi2",
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{
"id": "mp-1221574",
"created_at": "2022-09-04T14:41:06.635509Z",
"structure_string": "Mn2 O4\n1.0\n0.000000 8.623259 14.441273\n2.081478 0.000000 14.441273\n2.081478 8.623259 0.000000\nMn O\n2 4\ndirect\n0.499969 0.000031 0.000031 Mn\n0.249969 0.750031 0.750031 Mn\n0.461737 0.112194 0.887775 O\n0.137806 0.788263 0.711705 O\n0.538295 0.887775 0.112194 O\n0.362225 0.711705 0.788263 O\n",
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{
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"structure_string": "Zr2 C2\n1.0\n1.695738 -2.937105 0.000000\n1.695738 2.937105 0.000000\n0.000000 0.000000 5.290053\nZr C\n2 2\ndirect\n0.666667 0.333333 0.750000 Zr\n0.333333 0.666667 0.250000 Zr\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
"id": "mp-1094274",
"created_at": "2022-09-04T14:41:06.588916Z",
"structure_string": "Sr2 Mg2\n1.0\n1.994601 6.662419 0.000000\n-1.994601 6.662419 0.000000\n0.000000 2.276520 5.605804\nSr Mg\n2 2\ndirect\n0.605363 0.605363 0.670676 Sr\n0.394637 0.394637 0.329324 Sr\n0.843467 0.843467 0.875616 Mg\n0.156533 0.156533 0.124384 Mg\n",
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{
"id": "mp-23217",
"created_at": "2022-09-04T14:41:13.679158Z",
"structure_string": "Bi8 Rh4\n1.0\n6.925618 0.000000 0.000000\n0.000000 7.021261 0.000000\n0.000000 3.248634 6.272548\nBi Rh\n8 4\ndirect\n0.359496 0.146203 0.631435 Bi\n0.859496 0.853797 0.868565 Bi\n0.640504 0.853797 0.368565 Bi\n0.140504 0.146203 0.131435 Bi\n0.855737 0.346065 0.331621 Bi\n0.355737 0.653935 0.168379 Bi\n0.144263 0.653935 0.668379 Bi\n0.644263 0.346065 0.831621 Bi\n0.497876 0.271245 0.216227 Rh\n0.997876 0.728755 0.283773 Rh\n0.502124 0.728755 0.783773 Rh\n0.002124 0.271245 0.716227 Rh\n",
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"formula_full": "Bi8 Rh4",
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}
]
}