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{
"id": "jvasp-22760",
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"updated_at": "2022-09-04T14:37:40.802084Z",
"structure_string": "Yb2 Al14 Au6\n1.0\n7.121280 0.001273 4.645849\n2.516845 6.661691 4.645849\n0.001841 0.001273 8.502737\nYb Al Au\n2 14 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.499999 0.500001 Yb\n0.647924 0.430583 0.832829 Al\n0.167171 0.352075 0.569416 Al\n0.332828 0.930584 0.147925 Al\n0.930584 0.147923 0.332829 Al\n0.750000 0.749999 0.750001 Al\n0.250000 0.250000 0.250000 Al\n0.147924 0.332828 0.930585 Al\n0.352076 0.569416 0.167172 Al\n0.852076 0.667171 0.069417 Al\n0.069415 0.852075 0.667173 Al\n0.667172 0.069415 0.852077 Al\n0.832828 0.647923 0.430585 Al\n0.430584 0.832828 0.647925 Al\n0.569416 0.167171 0.352076 Al\n0.250000 0.574930 0.925070 Au\n0.074931 0.750000 0.425070 Au\n0.750000 0.425069 0.074931 Au\n0.425069 0.074930 0.750001 Au\n0.925069 0.249999 0.574932 Au\n0.574931 0.925069 0.250001 Au\n",
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{
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"structure_string": "Tb1 Si2 Ir2\n1.0\n3.835538 -0.000000 -1.447501\n-0.546276 3.796436 -1.447501\n-0.013182 -0.015214 5.770459\nTb Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621314 0.621315 0.242628 Si\n0.378686 0.378687 0.757373 Si\n0.750000 0.250001 0.500001 Ir\n0.250000 0.750001 0.500001 Ir\n",
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"volume": 83.85687760922212,
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"formula_full": "Tb1 Si2 Ir2",
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{
"id": "jvasp-23764",
"created_at": "2022-09-04T14:37:40.809714Z",
"updated_at": "2022-09-04T14:37:40.809731Z",
"structure_string": "Ag5 Pb2 O6\n1.0\n3.016960 -5.225528 -0.000000\n3.016960 5.225528 -0.000000\n0.000000 0.000000 6.466526\nAg Pb O\n5 2 6\ndirect\n0.000000 0.000000 0.766746 Ag\n-0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.233255 Ag\n0.500000 -0.000000 0.000000 Ag\n0.666667 0.333333 0.500000 Pb\n0.333333 0.666667 0.500000 Pb\n0.626001 -0.000000 0.694835 O\n0.373999 -0.000000 0.305166 O\n-0.000000 0.373999 0.305166 O\n0.626001 0.626001 0.305166 O\n-0.000000 0.626001 0.694835 O\n0.373999 0.373999 0.694835 O\n",
"nsites": 13,
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"elements": [
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"chemical_system": "Ag-O-Pb",
"density": 8.549269603364847,
"density_atomic": 0.06375916153294903,
"volume": 203.8922672043287,
"volume_molar": 9.445137945999992,
"formula_full": "Ag5 Pb2 O6",
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"formula_anonymous": "A2B5C6",
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"spacegroup": 162
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{
"id": "jvasp-98186",
"created_at": "2022-09-04T14:37:40.823862Z",
"updated_at": "2022-09-04T14:37:40.823885Z",
"structure_string": "La1 Si2 Au2\n1.0\n4.111011 -0.000000 -1.611287\n-0.631535 4.062213 -1.611287\n-0.020690 -0.024155 5.997239\nLa Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.615229 0.615228 0.230456 Si\n0.384772 0.384772 0.769544 Si\n0.250001 0.750000 0.500000 Au\n0.750000 0.250000 0.500000 Au\n",
"nsites": 5,
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"elements": [
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"density": 9.797125359425111,
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"volume": 99.83269875645894,
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"formula_full": "La1 Si2 Au2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "jvasp-56801",
"created_at": "2022-09-04T14:37:40.831554Z",
"updated_at": "2022-09-04T14:37:40.831572Z",
"structure_string": "Yb1 Ge2 Rh2\n1.0\n3.888914 -0.000000 -1.455420\n-0.544688 3.850581 -1.455420\n0.005438 0.006262 5.937876\nYb Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.375932 0.375932 0.751865 Ge\n0.624066 0.624067 0.248135 Ge\n0.249999 0.750000 0.500000 Rh\n0.749999 0.250000 0.500000 Rh\n",
"nsites": 5,
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{
"id": "jvasp-41232",
"created_at": "2022-09-04T14:37:40.850761Z",
"updated_at": "2022-09-04T14:37:40.850788Z",
"structure_string": "Ca2 Ag1 Pb1\n1.0\n0.000000 3.775838 3.775838\n3.775838 -0.000000 3.775838\n3.775838 3.775838 -0.000000\nCa Ag Pb\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
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{
"id": "jvasp-35346",
"created_at": "2022-09-04T14:37:40.853446Z",
"updated_at": "2022-09-04T14:37:40.853466Z",
"structure_string": "Ce1 Al3 Pt2\n1.0\n2.737217 -4.740997 0.000000\n2.737217 4.740997 0.000000\n-0.000000 0.000000 4.203777\nCe Al Pt\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500001 0.500001 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.666668 0.333334 0.000000 Pt\n0.333334 0.666668 0.000000 Pt\n",
"nsites": 6,
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"volume": 109.1059850142513,
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"formula_full": "Ce1 Al3 Pt2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 191
},
{
"id": "jvasp-64533",
"created_at": "2022-09-04T14:37:40.881105Z",
"updated_at": "2022-09-04T14:37:40.881127Z",
"structure_string": "Ba4 V1 Te1\n1.0\n-0.000000 5.008681 5.008681\n5.008681 0.000000 5.008681\n5.008681 5.008681 -0.000000\nBa V Te\n4 1 1\ndirect\n0.126269 0.624577 0.624577 Ba\n0.624577 0.624577 0.624577 Ba\n0.624577 0.126269 0.624577 Ba\n0.624577 0.624577 0.126269 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Te\n",
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"volume": 251.3044121012262,
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"formula_full": "Ba4 V1 Te1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-42033",
"created_at": "2022-09-04T14:37:40.886674Z",
"updated_at": "2022-09-04T14:37:40.886702Z",
"structure_string": "Pr1 Al8 Cu4\n1.0\n-0.000000 0.000000 -5.224469\n4.447420 4.447420 2.612235\n4.447420 -4.447420 -2.612235\nPr Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.221804 0.221804 Al\n0.278196 0.778195 0.221805 Al\n-0.000000 0.348718 0.348718 Al\n0.651282 0.651283 0.348718 Al\n-0.000000 0.651282 0.651282 Al\n0.348717 0.348718 0.651283 Al\n0.500000 0.778195 0.778195 Al\n0.721804 0.221805 0.778195 Al\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.999999 0.000000 0.500000 Cu\n0.499999 0.000000 0.500000 Cu\n",
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"volume": 206.67523578295493,
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"formula_full": "Pr1 Al8 Cu4",
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"formula_anonymous": "AB4C8",
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{
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"structure_string": "Zr4 Fe4 P4\n1.0\n3.767783 -0.000000 0.000000\n-0.000000 6.337753 0.000000\n0.000000 0.000000 7.087282\nZr Fe P\n4 4 4\ndirect\n0.250000 0.514177 0.686292 Zr\n0.749999 0.485822 0.313708 Zr\n0.250000 0.014178 0.813708 Zr\n0.749999 0.985822 0.186292 Zr\n0.749999 0.854292 0.562852 Fe\n0.250000 0.145708 0.437148 Fe\n0.749999 0.354292 0.937148 Fe\n0.250000 0.645708 0.062852 Fe\n0.250000 0.282475 0.110922 P\n0.749999 0.717524 0.889078 P\n0.250000 0.782475 0.389078 P\n0.749999 0.217524 0.610921 P\n",
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{
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"created_at": "2022-09-04T14:37:41.083988Z",
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"structure_string": "Ba4 Zr1 Ni1\n1.0\n-0.000000 4.942053 4.942053\n4.942053 -0.000000 4.942053\n4.942053 4.942053 0.000000\nBa Zr Ni\n4 1 1\ndirect\n0.125965 0.624678 0.624678 Ba\n0.624678 0.624678 0.624678 Ba\n0.624678 0.125965 0.624678 Ba\n0.624678 0.624678 0.125965 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:37:40.905912Z",
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"structure_string": "K4 Sb2 Au2\n1.0\n0.000000 0.000000 6.570567\n-5.208982 -3.909378 -0.000000\n5.208982 -3.909378 -0.000000\nK Sb Au\n4 2 2\ndirect\n0.749999 0.501773 0.158891 K\n0.250000 0.841110 0.498228 K\n0.749999 0.158891 0.501773 K\n0.250000 0.498228 0.841110 K\n0.250000 0.272697 0.272697 Sb\n0.749999 0.727303 0.727303 Sb\n0.000000 0.000000 0.000000 Au\n0.499999 0.000000 0.000000 Au\n",
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}