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{
"id": "mp-3268",
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"structure_string": "Yb1 B2 Ru3\n1.0\n2.781670 -4.817993 0.000000\n2.781670 4.817993 0.000000\n0.000000 0.000000 2.948440\nYb B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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{
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{
"id": "mp-1226819",
"created_at": "2022-09-04T14:48:30.668277Z",
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"volume": 127.46740859332635,
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"formula_full": "Ce2 Ni2 Sn2",
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{
"id": "mp-1950",
"created_at": "2022-09-04T14:39:15.536844Z",
"structure_string": "Sr2 S4\n1.0\n-3.070037 3.070037 3.874433\n3.070037 -3.070037 3.874433\n3.070037 3.070037 -3.874433\nSr S\n2 4\ndirect\n0.250000 0.250000 0.000000 Sr\n0.750000 0.750000 0.000000 Sr\n0.877943 0.377943 0.255886 S\n0.377943 0.122057 0.500000 S\n0.122057 0.622057 0.744114 S\n0.622057 0.877943 0.500000 S\n",
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"formula_full": "Sr2 S4",
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"spacegroup": 140
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{
"id": "mp-1077397",
"created_at": "2022-09-04T14:39:15.057795Z",
"structure_string": "Sc1 Cd1 Ni4\n1.0\n0.000000 3.454790 3.454790\n3.454790 0.000000 3.454790\n3.454790 3.454790 0.000000\nSc Cd Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Cd\n0.625802 0.625802 0.122593 Ni\n0.625802 0.122593 0.625802 Ni\n0.122593 0.625802 0.625802 Ni\n0.625802 0.625802 0.625802 Ni\n",
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"density": 7.895794775603513,
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"volume": 82.46980301267448,
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"formula_full": "Sc1 Cd1 Ni4",
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"spacegroup": 216
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{
"id": "mp-1397279",
"created_at": "2022-09-04T14:39:16.955868Z",
"structure_string": "Sr4 Mg2\n1.0\n3.050188 -6.900395 0.000000\n3.050188 6.900395 0.000000\n0.000000 0.000000 6.096819\nSr Mg\n4 2\ndirect\n0.103702 0.389770 0.750000 Sr\n0.389770 0.103702 0.750000 Sr\n0.610230 0.896298 0.250000 Sr\n0.896298 0.610230 0.250000 Sr\n0.734809 0.734809 0.750000 Mg\n0.265191 0.265191 0.250000 Mg\n",
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"volume": 256.64562048809364,
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"updated_at": "2021-11-28T01:34:44.934000Z",
"spacegroup": 63
},
{
"id": "mp-1042075",
"created_at": "2022-09-04T14:39:10.783423Z",
"structure_string": "Sb2 S4\n1.0\n-3.030715 3.030715 5.797597\n3.030715 -3.030715 5.797597\n3.030715 3.030715 -5.797597\nSb S\n2 4\ndirect\n0.750000 0.250000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.875000 0.899029 0.524029 S\n0.100971 0.625000 0.975971 S\n0.375000 0.350971 0.475971 S\n0.649029 0.125000 0.024029 S\n",
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"volume": 213.00912667687126,
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"formula_full": "Sb2 S4",
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{
"id": "mp-568791",
"created_at": "2022-09-04T14:39:11.246433Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.218977 4.022544 0.000000\n-2.218977 4.022544 0.000000\n0.000000 2.937134 12.047172\nCa Si Br\n3 1 2\ndirect\n0.819816 0.819816 0.508769 Ca\n0.284545 0.284545 0.121356 Ca\n0.706249 0.706249 0.910367 Ca\n0.995139 0.995139 0.015705 Si\n0.444499 0.444499 0.632037 Br\n0.194753 0.194753 0.387766 Br\n",
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"density": 2.3790898667141933,
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"volume": 215.06449100657628,
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"formula_full": "Ca3 Si1 Br2",
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{
"id": "mp-27934",
"created_at": "2022-09-04T14:39:15.498890Z",
"structure_string": "Cd2 Br4\n1.0\n2.036919 -3.528047 0.000000\n2.036919 3.528047 0.000000\n0.000000 0.000000 14.255037\nCd Br\n2 4\ndirect\n0.666667 0.333333 0.874968 Cd\n0.333333 0.666667 0.374968 Cd\n0.000000 0.000000 0.765004 Br\n0.000000 0.000000 0.265004 Br\n0.333333 0.666667 0.985028 Br\n0.666667 0.333333 0.485028 Br\n",
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"formula_full": "Cd2 Br4",
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{
"id": "mp-1225317",
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"structure_string": "Dy2 Ag2 Sn2\n1.0\n2.416219 -4.185014 0.000000\n2.416219 4.185014 0.000000\n0.000000 0.000000 7.478318\nDy Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.273444 Dy\n0.000000 0.000000 0.726556 Dy\n0.333333 0.666667 0.476135 Ag\n0.666667 0.333333 0.523865 Ag\n0.666667 0.333333 0.937300 Sn\n0.333333 0.666667 0.062700 Sn\n",
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{
"id": "mp-1077741",
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"structure_string": "Yb1 Cu4 Ag1\n1.0\n0.000000 3.547081 3.547081\n3.547081 0.000000 3.547081\n3.547081 3.547081 0.000000\nYb Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.624504 0.624504 0.126487 Cu\n0.624504 0.126487 0.624504 Cu\n0.126487 0.624504 0.624504 Cu\n0.624504 0.624504 0.624504 Cu\n0.250000 0.250000 0.250000 Ag\n",
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{
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"structure_string": "Sm1 Fe5\n1.0\n5.088748 0.000000 0.000000\n-2.544374 4.406985 0.000000\n0.000000 0.000000 3.944794\nSm Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n",
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"formula_full": "Sm1 Fe5",
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"energy": -47.02965178,
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}
]
}