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{
"id": "jvasp-37447",
"created_at": "2022-09-04T14:37:49.632222Z",
"updated_at": "2022-09-04T14:37:49.632241Z",
"structure_string": "Sm2 Cd6\n1.0\n3.348231 -5.799305 0.000000\n3.348231 5.799305 0.000000\n0.000000 0.000000 4.976790\nSm Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.161112 0.322224 0.250000 Cd\n0.677775 0.838887 0.250000 Cd\n0.161112 0.838888 0.250000 Cd\n0.838887 0.677775 0.750000 Cd\n0.322224 0.161112 0.750000 Cd\n0.838888 0.161112 0.750000 Cd\n",
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{
"id": "jvasp-40883",
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"updated_at": "2022-09-04T14:37:43.918824Z",
"structure_string": "Pm1 Zn2 Ag1\n1.0\n-0.000000 3.398740 3.398739\n3.398741 0.000000 3.398738\n3.398741 3.398739 0.000001\nPm Zn Ag\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n0.249999 0.249999 0.249999 Ag\n",
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{
"id": "jvasp-107872",
"created_at": "2022-09-04T14:37:49.644308Z",
"updated_at": "2022-09-04T14:37:49.644327Z",
"structure_string": "Rb2 Li1 Ce1 Br6\n1.0\n6.797906 -0.000000 3.924773\n2.265969 6.409127 3.924773\n-0.000000 -0.000000 7.849545\nRb Li Ce Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.740951 0.259050 0.259049 Br\n0.259050 0.259050 0.740951 Br\n0.259050 0.740951 0.740950 Br\n0.259050 0.740951 0.259049 Br\n0.740951 0.259050 0.740950 Br\n0.740951 0.740951 0.259049 Br\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Br-Ce-Li-Rb",
"density": 3.8718261953145516,
"density_atomic": 0.029240277107972456,
"volume": 341.9940229387726,
"volume_molar": 20.595361452159576,
"formula_full": "Rb2 Li1 Ce1 Br6",
"formula_reduced": "Rb2LiCeBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40223",
"created_at": "2022-09-04T14:37:41.747884Z",
"updated_at": "2022-09-04T14:37:41.747909Z",
"structure_string": "Sc1 Zn2 Ag1\n1.0\n0.000000 3.224546 3.224546\n3.224546 -0.000000 3.224546\n3.224546 3.224546 0.000000\nSc Zn Ag\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Zn\n0.500002 0.500002 0.500002 Zn\n0.249999 0.249999 0.249999 Ag\n",
"nsites": 4,
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"elements": [
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"density": 7.023993191703336,
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"volume": 67.05570393565746,
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"formula_reduced": "ScZn2Ag",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37333",
"created_at": "2022-09-04T14:38:02.816208Z",
"updated_at": "2022-09-04T14:38:02.816227Z",
"structure_string": "Sr1 Ac1 Zn2\n1.0\n0.000000 3.889358 3.889358\n3.889358 -0.000000 3.889358\n3.889358 3.889358 -0.000000\nSr Ac Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Sr\n0.249999 0.249999 0.249999 Ac\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.285974359691944,
"density_atomic": 0.033993527647751334,
"volume": 117.66945877017855,
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"formula_full": "Sr1 Ac1 Zn2",
"formula_reduced": "SrAcZn2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-39770",
"created_at": "2022-09-04T14:37:41.748410Z",
"updated_at": "2022-09-04T14:37:41.748432Z",
"structure_string": "Yb6 Ge2 O2\n1.0\n6.531253 -0.000002 -0.000001\n-0.000002 6.501819 -0.069365\n-3.265625 -3.220387 4.634603\nYb Ge O\n6 2 2\ndirect\n0.289161 0.741621 0.500007 Yb\n0.710845 0.241620 0.500007 Yb\n0.780695 0.250643 0.039669 Yb\n0.241096 0.232770 0.960354 Yb\n0.219256 0.732771 0.960354 Yb\n0.758972 0.750642 0.039669 Yb\n0.249370 0.241651 0.499972 Ge\n0.750601 0.741652 0.499973 Ge\n0.499995 0.991673 0.000005 O\n0.000010 0.491672 0.000003 O\n",
"nsites": 10,
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"elements": [
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],
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"volume": 195.3495445758296,
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"formula_full": "Yb6 Ge2 O2",
"formula_reduced": "Yb3GeO",
"formula_anonymous": "ABC3",
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"spacegroup": 15
},
{
"id": "jvasp-109072",
"created_at": "2022-09-04T14:37:49.648801Z",
"updated_at": "2022-09-04T14:37:49.648811Z",
"structure_string": "Sr2 Yb6\n1.0\n7.775942 0.000000 0.000000\n-3.887972 6.734163 0.000000\n-0.000000 -0.000000 6.371422\nYb Sr\n6 2\ndirect\n0.164455 0.328909 0.250000 Yb\n0.671091 0.835545 0.250000 Yb\n0.164455 0.835545 0.250000 Yb\n0.835545 0.671091 0.750000 Yb\n0.328909 0.164455 0.750000 Yb\n0.835545 0.164455 0.750000 Yb\n0.333333 0.666666 0.750000 Sr\n0.666666 0.333333 0.250000 Sr\n",
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"elements": [
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"density_atomic": 0.02397822214625906,
"volume": 333.6360782381071,
"volume_molar": 25.115042822053173,
"formula_full": "Sr2 Yb6",
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"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-38926",
"created_at": "2022-09-04T14:38:00.833442Z",
"updated_at": "2022-09-04T14:38:00.833470Z",
"structure_string": "Mg2 Tl1 Pb1\n1.0\n-0.000000 3.707405 3.707405\n3.707405 -0.000000 3.707405\n3.707405 3.707405 0.000000\nMg Tl Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499998 0.499998 0.499998 Mg\n0.749999 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Pb\n",
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"density": 7.49806669803634,
"density_atomic": 0.03924821426044026,
"volume": 101.91546482744691,
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"formula_full": "Mg2 Tl1 Pb1",
"formula_reduced": "Mg2TlPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38249",
"created_at": "2022-09-04T14:38:02.838951Z",
"updated_at": "2022-09-04T14:38:02.838966Z",
"structure_string": "Rb3 Cd1\n1.0\n6.116435 0.000000 0.000000\n0.000000 6.116435 0.000000\n0.000000 -0.000000 6.116435\nRb Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.676466872689311,
"density_atomic": 0.01748094461862887,
"volume": 228.82058648806262,
"volume_molar": 34.44974451542168,
"formula_full": "Rb3 Cd1",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-39651",
"created_at": "2022-09-04T14:37:41.719519Z",
"updated_at": "2022-09-04T14:37:41.719529Z",
"structure_string": "Yb2 Cd1 Pb1\n1.0\n0.000000 3.787645 3.787645\n3.787645 0.000000 3.787645\n3.787645 3.787645 0.000000\nYb Cd Pb\n2 1 1\ndirect\n0.500002 0.500002 0.500002 Yb\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Pb\n",
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"volume": 108.6770393574867,
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"formula_full": "Yb2 Cd1 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37928",
"created_at": "2022-09-04T14:38:02.847270Z",
"updated_at": "2022-09-04T14:38:02.847294Z",
"structure_string": "Ca1 Tl2 Cd1\n1.0\n-0.000000 3.769869 3.769869\n3.769869 -0.000000 3.769869\n3.769869 3.769869 -0.000000\nCa Tl Cd\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.750001 0.750001 0.750001 Cd\n",
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{
"id": "jvasp-35076",
"created_at": "2022-09-04T14:37:49.675289Z",
"updated_at": "2022-09-04T14:37:49.675316Z",
"structure_string": "Sm2 Tl2 Zn2\n1.0\n2.368120 -4.101703 -0.000000\n2.368120 4.101703 0.000000\n-0.000000 0.000000 7.427359\nSm Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.250000 Tl\n0.666667 0.333333 0.750000 Tl\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
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