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{
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{
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"volume": 680.2770913745845,
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"formula_full": "Sr4 I8 O24",
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{
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"structure_string": "Al2 Ru1 Pt1\n1.0\n0.000000 3.028636 3.028636\n3.028636 0.000000 3.028636\n3.028636 3.028636 0.000000\nAl Ru Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Pt\n",
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"spacegroup": 225
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{
"id": "mp-1113840",
"created_at": "2022-09-04T14:47:56.722688Z",
"structure_string": "Na2 Li1 La1 Cl6\n1.0\n0.000000 5.277258 5.277258\n5.277258 0.000000 5.277258\n5.277258 5.277258 0.000000\nNa Li La Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.739754 0.260246 0.260246 Cl\n0.260246 0.260246 0.739754 Cl\n0.260246 0.739754 0.739754 Cl\n0.260246 0.739754 0.260246 Cl\n0.739754 0.260246 0.739754 Cl\n0.739754 0.739754 0.260246 Cl\n",
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"volume": 293.9374867100757,
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"formula_full": "Na2 Li1 La1 Cl6",
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"formula_anonymous": "ABC2D6",
"energy": -42.99444458,
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{
"id": "mp-21198",
"created_at": "2022-09-04T14:47:56.739889Z",
"structure_string": "Dy2 Ag2 Sn2\n1.0\n2.372678 -4.109600 0.000000\n2.372678 4.109600 0.000000\n0.000000 0.000000 7.416692\nDy Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.725040 Dy\n0.000000 0.000000 0.225040 Dy\n0.666667 0.333333 0.537234 Ag\n0.333333 0.666667 0.037234 Ag\n0.333333 0.666667 0.445726 Sn\n0.666667 0.333333 0.945726 Sn\n",
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"formula_full": "Dy2 Ag2 Sn2",
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"formula_anonymous": "ABC",
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},
{
"id": "mp-30139",
"created_at": "2022-09-04T14:47:56.773736Z",
"structure_string": "Be2 Br4\n1.0\n-2.793471 3.124928 5.826790\n2.793471 -3.124928 5.826790\n2.793471 3.124928 -5.826790\nBe Br\n2 4\ndirect\n0.000000 0.250000 0.250000 Be\n0.000000 0.750000 0.750000 Be\n0.295555 0.103213 0.192342 Br\n0.704445 0.896787 0.807658 Br\n0.089129 0.396787 0.692342 Br\n0.910871 0.603213 0.307658 Br\n",
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"formula_full": "Be2 Br4",
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{
"id": "mp-1027137",
"created_at": "2022-09-04T14:47:56.776576Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n1.671826 -2.895687 0.000000\n1.671826 2.895687 0.000000\n0.000000 0.000000 38.095376\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.666667 0.333333 0.419915 Te\n0.666667 0.333333 0.519421 Te\n0.333333 0.666667 0.093938 Mo\n0.333333 0.666667 0.469657 Mo\n0.666667 0.333333 0.657574 Mo\n0.666667 0.333333 0.281742 W\n0.333333 0.666667 0.325740 Se\n0.333333 0.666667 0.701363 Se\n0.333333 0.666667 0.237754 Se\n0.333333 0.666667 0.613775 Se\n0.666667 0.333333 0.054123 S\n0.666667 0.333333 0.133746 S\n",
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"formula_full": "Te2 Mo3 W1 Se4 S2",
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{
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{
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{
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{
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{
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}