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{
"id": "mp-1207351",
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"structure_string": "Y2 Cu1 As3\n1.0\n9.868397 0.000000 0.000000\n0.000000 9.868397 0.000000\n0.000000 0.000000 39.206031\nY Cu As\n2 1 3\ndirect\n0.500000 0.500000 0.245192 Y\n0.500000 0.500000 0.754808 Y\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.692878 As\n0.500000 0.500000 0.307122 As\n0.500000 0.500000 0.000000 As\n",
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{
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"spacegroup": 71
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{
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"volume": 3807.141211603386,
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"formula_full": "Nd2 Zn1 Sb3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 123
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{
"id": "mp-1206865",
"created_at": "2022-09-04T14:48:17.886377Z",
"structure_string": "Na1 Sm3 Se6\n1.0\n-6.509723 -11.275171 0.000000\n-4.466306 10.095404 0.000000\n0.000000 0.000000 -54.225440\nNa Sm Se\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.000000 0.000000 0.768986 Se\n0.000000 0.000000 0.231014 Se\n0.741277 0.724500 0.000000 Se\n0.258723 0.275500 0.000000 Se\n0.016777 0.275500 0.000000 Se\n0.983223 0.724500 0.000000 Se\n",
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"volume": 6294.307284489291,
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"formula_full": "Na1 Sm3 Se6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 65
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{
"id": "mp-1093566",
"created_at": "2022-09-04T14:45:55.461439Z",
"structure_string": "Ba1 Sr1 Ca2\n1.0\n-7.573049 7.701679 10.711418\n7.573049 -7.701679 10.711418\n7.573049 7.701679 -10.711418\nBa Sr Ca\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.268036 0.000000 0.268036 Ca\n0.731964 0.000000 0.731964 Ca\n",
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"volume": 2498.982065018342,
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"formula_full": "Ba1 Sr1 Ca2",
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"spacegroup": 71
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{
"id": "mp-1206508",
"created_at": "2022-09-04T14:40:42.364501Z",
"structure_string": "Pr2 Mn1 Sb3\n1.0\n9.491250 0.000000 0.000000\n0.000000 9.491250 0.000000\n0.000000 0.000000 41.415966\nPr Mn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243044 Pr\n0.500000 0.500000 0.756956 Pr\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.691121 Sb\n0.500000 0.500000 0.308879 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"volume": 3730.9086980623974,
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"formula_full": "Pr2 Mn1 Sb3",
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"updated_at": "2021-11-28T01:35:07.279000Z",
"spacegroup": 123
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{
"id": "mp-1213670",
"created_at": "2022-09-04T14:41:28.841670Z",
"structure_string": "Er3 Tl1 S6\n1.0\n-6.438137 -11.151181 0.000000\n-3.717020 9.580143 0.000000\n0.000000 0.000000 -60.248559\nEr Tl S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.000000 0.500000 0.000000 Er\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.763946 S\n0.000000 0.000000 0.236054 S\n0.726409 0.751571 -0.000000 S\n0.273591 0.248429 0.000000 S\n0.974838 0.248429 -0.000000 S\n0.025162 0.751571 0.000000 S\n",
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"volume": 6213.27940719606,
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{
"id": "mp-1095990",
"created_at": "2022-09-04T14:39:27.547239Z",
"structure_string": "Ba2 Na1 Li1\n1.0\n-7.487970 7.796809 10.629054\n7.487970 -7.796809 10.629054\n7.487970 7.796809 -10.629054\nBa Na Li\n2 1 1\ndirect\n0.756389 0.000000 0.756389 Ba\n0.243611 0.000000 0.243611 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"density": 0.20376129132168608,
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"volume": 2482.1932821494565,
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"formula_full": "Ba2 Na1 Li1",
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{
"id": "mp-1211065",
"created_at": "2022-09-04T14:42:47.191795Z",
"structure_string": "Mg2 Cu1 As2\n1.0\n9.960882 0.000000 0.000000\n0.000000 9.960882 0.000000\n0.000000 0.000000 31.266334\nMg Cu As\n2 1 2\ndirect\n0.500000 0.500000 0.250085 Mg\n0.500000 0.500000 0.749915 Mg\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.665107 As\n0.500000 0.500000 0.334893 As\n",
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{
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{
"id": "mp-1097658",
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"structure_string": "Ba1 Na2 Sr1\n1.0\n-7.484931 7.808815 10.604926\n7.484931 -7.808815 10.604926\n7.484931 7.808815 -10.604926\nBa Na Sr\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.246913 0.000000 0.246913 Na\n0.753087 0.000000 0.753087 Na\n0.000000 0.000000 0.000000 Sr\n",
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{
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"structure_string": "K2 Rb1 Bi1\n1.0\n-7.562770 7.746729 10.539607\n7.562770 -7.746729 10.539607\n7.562770 7.746729 -10.539607\nK Rb Bi\n2 1 1\ndirect\n0.722165 0.000000 0.722165 K\n0.277835 0.000000 0.277835 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Bi\n",
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"volume": 2469.9244249414974,
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"formula_full": "K2 Rb1 Bi1",
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}
]
}