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{
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{
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{
"id": "mp-864962",
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{
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"structure_string": "Yb1 Er1 Zn2\n1.0\n0.000000 3.561209 3.561209\n3.561209 0.000000 3.561209\n3.561209 3.561209 0.000000\nYb Er Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
"id": "mp-1519938",
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"structure_string": "Ba2 Pr1 V1 O6\n1.0\n0.000000 -4.265931 -4.265931\n4.265931 0.000000 -4.265931\n4.265931 -4.265931 0.000000\nBa Pr V O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 -0.000000 -0.000000 Pr\n0.500000 0.500000 0.500000 V\n0.724777 0.275223 0.275223 O\n0.275223 0.724777 0.724777 O\n0.724777 0.275223 0.724777 O\n0.275223 0.724777 0.275223 O\n0.724777 0.724777 0.275223 O\n0.275223 0.275223 0.724777 O\n",
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"volume": 155.2642520288779,
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"formula_full": "Ba2 Pr1 V1 O6",
"formula_reduced": "Ba2PrVO6",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-1205701",
"created_at": "2022-09-04T14:41:54.900444Z",
"structure_string": "Eu2 Ho1 Ta1 O6\n1.0\n0.000000 4.193895 4.193895\n4.193895 0.000000 4.193895\n4.193895 4.193895 0.000000\nEu Ho Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Ta\n0.762161 0.237839 0.237839 O\n0.237839 0.762161 0.762161 O\n0.237839 0.762161 0.237839 O\n0.762161 0.237839 0.762161 O\n0.237839 0.237839 0.762161 O\n0.762161 0.762161 0.237839 O\n",
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"elements": [
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"density": 8.394413060617532,
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"formula_full": "Eu2 Ho1 Ta1 O6",
"formula_reduced": "Eu2HoTaO6",
"formula_anonymous": "ABC2D6",
"energy": -101.60034460999998,
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{
"id": "mp-1210285",
"created_at": "2022-09-04T14:41:55.106324Z",
"structure_string": "Na8 Zr6 B1 Br20\n1.0\n0.000000 7.946437 7.946437\n7.946437 0.000000 7.946437\n7.946437 7.946437 0.000000\nNa Zr B Br\n8 6 1 20\ndirect\n0.360447 0.360447 0.360447 Na\n0.639553 0.639553 0.639553 Na\n0.360447 0.360447 0.918659 Na\n0.360447 0.918659 0.360447 Na\n0.639553 0.639553 0.081341 Na\n0.639553 0.081341 0.639553 Na\n0.918659 0.360447 0.360447 Na\n0.081341 0.639553 0.639553 Na\n0.854045 0.145955 0.145955 Zr\n0.145955 0.854045 0.854045 Zr\n0.145955 0.854045 0.145955 Zr\n0.854045 0.145955 0.854045 Zr\n0.145955 0.145955 0.854045 Zr\n0.854045 0.854045 0.145955 Zr\n0.000000 0.000000 0.000000 B\n0.340013 0.000000 0.000000 Br\n0.659987 0.000000 0.000000 Br\n0.000000 0.340013 0.659987 Br\n0.000000 0.659987 0.340013 Br\n0.000000 0.340013 0.000000 Br\n0.659987 0.000000 0.340013 Br\n0.000000 0.659987 0.000000 Br\n0.340013 0.000000 0.659987 Br\n0.000000 0.000000 0.340013 Br\n0.000000 0.000000 0.659987 Br\n0.659987 0.340013 0.000000 Br\n0.340013 0.659987 0.000000 Br\n0.672789 0.327211 0.327211 Br\n0.327211 0.672789 0.672789 Br\n0.327211 0.672789 0.327211 Br\n0.672789 0.327211 0.672789 Br\n0.327211 0.327211 0.672789 Br\n0.672789 0.672789 0.327211 Br\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n",
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{
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"created_at": "2022-09-04T14:41:55.181615Z",
"structure_string": "Rb2 Tl1 Ir1 F6\n1.0\n0.000000 4.667040 4.667040\n4.667040 0.000000 4.667040\n4.667040 4.667040 0.000000\nRb Tl Ir F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ir\n0.781247 0.218753 0.218753 F\n0.218753 0.218753 0.781247 F\n0.218753 0.781247 0.781247 F\n0.218753 0.781247 0.218753 F\n0.781247 0.218753 0.781247 F\n0.781247 0.781247 0.218753 F\n",
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{
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"structure_string": "Pm2 Tl1 Cd1\n1.0\n0.000000 3.865811 3.865811\n3.865811 0.000000 3.865811\n3.865811 3.865811 0.000000\nPm Tl Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n",
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{
"id": "mp-1516516",
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"formula_full": "Ba2 Tb1 W1 O6",
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{
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"structure_string": "Ru1 N6 Cl2\n1.0\n0.000000 4.023487 4.023487\n4.023487 0.000000 4.023487\n4.023487 4.023487 0.000000\nRu N Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ru\n0.757273 0.757273 0.242727 N\n0.242727 0.757273 0.242727 N\n0.757273 0.242727 0.242727 N\n0.242727 0.242727 0.757273 N\n0.757273 0.242727 0.757273 N\n0.242727 0.757273 0.757273 N\n0.750000 0.750000 0.750000 Cl\n0.250000 0.250000 0.250000 Cl\n",
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{
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"structure_string": "Rb2 Al1 Ag1 Br6\n1.0\n0.000000 5.415057 5.415057\n5.415057 0.000000 5.415057\n5.415057 5.415057 0.000000\nRb Al Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.765221 0.234779 0.234779 Br\n0.234779 0.234779 0.765221 Br\n0.234779 0.765221 0.765221 Br\n0.234779 0.765221 0.234779 Br\n0.765221 0.234779 0.765221 Br\n0.765221 0.765221 0.234779 Br\n",
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}