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{
"id": "jvasp-91270",
"created_at": "2022-09-04T14:36:18.900652Z",
"updated_at": "2022-09-04T14:36:18.900679Z",
"structure_string": "Yb6 Mn6 O18\n1.0\n5.946328 -0.000000 -0.000000\n-2.973164 5.149672 -0.000000\n-0.000000 -0.000000 11.537877\nYb Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.275383 Yb\n0.333333 0.666667 0.232911 Yb\n0.666667 0.333333 0.732911 Yb\n0.333333 0.666667 0.732911 Yb\n0.666667 0.333333 0.232911 Yb\n0.000000 0.000000 0.775384 Yb\n0.333330 0.000000 0.000303 Mn\n0.333330 0.333330 0.500303 Mn\n0.000000 0.666670 0.500303 Mn\n0.000000 0.333330 0.000303 Mn\n0.666671 0.666670 0.000303 Mn\n0.666670 0.000000 0.500303 Mn\n0.698236 0.000000 0.654415 O\n0.698236 0.698236 0.154415 O\n0.000000 0.301764 0.154415 O\n0.666667 0.333333 0.015917 O\n0.301764 0.000000 0.154415 O\n0.636204 0.000000 0.346563 O\n0.636204 0.636204 0.846564 O\n0.000000 0.363796 0.846564 O\n0.000000 0.636204 0.346563 O\n0.363796 0.363796 0.346563 O\n0.363796 0.000000 0.846564 O\n0.000000 0.000000 0.479116 O\n0.000000 0.000000 0.979116 O\n0.333333 0.666667 0.015917 O\n0.666667 0.333333 0.515917 O\n0.333333 0.666667 0.515917 O\n0.301764 0.301764 0.654415 O\n0.000000 0.698236 0.654415 O\n",
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{
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"created_at": "2022-09-04T14:36:21.527171Z",
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"structure_string": "Yb3 Mn3 Ge3\n1.0\n3.375385 -5.846338 -0.000000\n3.375385 5.846338 0.000000\n-0.000000 -0.000000 4.347913\nYb Mn Ge\n3 3 3\ndirect\n0.434758 0.434758 0.000000 Yb\n0.000000 0.565243 0.000000 Yb\n0.565243 0.000000 0.000000 Yb\n0.000000 0.229073 0.500000 Mn\n0.229073 0.000000 0.500000 Mn\n0.770928 0.770928 0.500000 Mn\n0.333334 0.666668 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.666668 0.333334 0.500000 Ge\n",
"nsites": 9,
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"elements": [
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"density": 8.727047124807257,
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"volume": 171.60031361413382,
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"formula_full": "Yb3 Mn3 Ge3",
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"spacegroup": 189
},
{
"id": "jvasp-17951",
"created_at": "2022-09-04T14:37:32.921376Z",
"updated_at": "2022-09-04T14:37:32.921406Z",
"structure_string": "Yb3 Mn3 Ge3\n1.0\n3.375385 -5.846338 -0.000000\n3.375385 5.846338 0.000000\n-0.000000 -0.000000 4.347913\nYb Mn Ge\n3 3 3\ndirect\n0.434758 0.434758 0.000000 Yb\n0.000000 0.565243 0.000000 Yb\n0.565243 0.000000 0.000000 Yb\n0.000000 0.229073 0.500000 Mn\n0.229073 0.000000 0.500000 Mn\n0.770928 0.770928 0.500000 Mn\n0.333334 0.666668 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.666668 0.333334 0.500000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"chemical_system": "Ge-Mn-Yb",
"density": 8.727047124807257,
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"volume": 171.60031361413382,
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"formula_full": "Yb3 Mn3 Ge3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-14004",
"created_at": "2022-09-04T14:37:57.697641Z",
"updated_at": "2022-09-04T14:37:57.697667Z",
"structure_string": "Yb4 Mn4 Ge4\n1.0\n4.235676 0.000000 0.000000\n-0.000000 7.163769 0.000000\n0.000000 0.000000 7.410434\nYb Mn Ge\n4 4 4\ndirect\n0.250000 0.506141 0.182516 Yb\n0.750001 0.493860 0.817484 Yb\n0.250000 0.006140 0.317484 Yb\n0.750001 0.993860 0.682515 Yb\n0.750001 0.369126 0.440948 Mn\n0.250000 0.130874 0.940948 Mn\n0.750001 0.869126 0.059051 Mn\n0.250000 0.630874 0.559051 Mn\n0.250000 0.288351 0.612542 Ge\n0.750001 0.211649 0.112542 Ge\n0.250000 0.788351 0.887458 Ge\n0.750001 0.711649 0.387458 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"chemical_system": "Ge-Mn-Yb",
"density": 8.88006583978895,
"density_atomic": 0.05336706231033854,
"volume": 224.85779581079356,
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"formula_full": "Yb4 Mn4 Ge4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-17793",
"created_at": "2022-09-04T14:38:14.562675Z",
"updated_at": "2022-09-04T14:38:14.562703Z",
"structure_string": "Yb1 Mn2 Ge2\n1.0\n3.721688 0.000000 -1.304066\n-0.456940 3.693530 -1.304066\n0.047917 0.054211 6.099467\nYb Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.750000 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.621678 0.621678 0.243355 Ge\n0.378323 0.378322 0.756645 Ge\n",
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"chemical_system": "Ge-Mn-Yb",
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"density_atomic": 0.05926242561813289,
"volume": 84.37049189006059,
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"formula_full": "Yb1 Mn2 Ge2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.898375416551724,
"spacegroup": 139
},
{
"id": "jvasp-14261",
"created_at": "2022-09-04T14:36:00.806303Z",
"updated_at": "2022-09-04T14:36:00.806332Z",
"structure_string": "Yb1 Mn2 As2\n1.0\n1.982139 -3.433166 0.000000\n1.982139 3.433166 -0.000000\n-0.000000 -0.000000 6.891302\nYb Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.383710 Mn\n0.333333 0.666667 0.616290 Mn\n0.666667 0.333333 0.733879 As\n0.333333 0.666667 0.266121 As\n",
"nsites": 5,
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"elements": [
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"Mn",
"As"
],
"chemical_system": "As-Mn-Yb",
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"density_atomic": 0.05331013920231981,
"volume": 93.790788672006,
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"formula_full": "Yb1 Mn2 As2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-16169",
"created_at": "2022-09-04T14:36:57.498851Z",
"updated_at": "2022-09-04T14:36:57.498869Z",
"structure_string": "Yb1 Mn2 As2\n1.0\n1.982139 -3.433166 0.000000\n1.982139 3.433166 -0.000000\n-0.000000 -0.000000 6.891302\nYb Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.383710 Mn\n0.333333 0.666667 0.616290 Mn\n0.666667 0.333333 0.733879 As\n0.333333 0.666667 0.266121 As\n",
"nsites": 5,
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"elements": [
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"density": 7.661879355680962,
"density_atomic": 0.05331013920231981,
"volume": 93.790788672006,
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"formula_full": "Yb1 Mn2 As2",
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"spacegroup": 164
},
{
"id": "jvasp-106624",
"created_at": "2022-09-04T14:36:54.900054Z",
"updated_at": "2022-09-04T14:36:54.900072Z",
"structure_string": "Yb2 Mg1 Tl1\n1.0\n4.672723 -0.000000 2.697798\n1.557574 4.405486 2.697798\n-0.000000 -0.000000 5.395596\nYb Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.749999 0.750001 0.750001 Yb\n0.499999 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Tl-Yb",
"density": 8.59287746723798,
"density_atomic": 0.03601278474057963,
"volume": 111.07166604344131,
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"formula_full": "Yb2 Mg1 Tl1",
"formula_reduced": "Yb2MgTl",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-80023",
"created_at": "2022-09-04T14:37:16.693565Z",
"updated_at": "2022-09-04T14:37:16.693586Z",
"structure_string": "Yb1 Mg1 Tl2\n1.0\n-0.000000 3.699686 3.699686\n3.699686 -0.000000 3.699686\n3.699686 3.699686 -0.000000\nYb Mg Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-56301",
"created_at": "2022-09-04T14:37:57.466474Z",
"updated_at": "2022-09-04T14:37:57.466493Z",
"structure_string": "Yb3 Mg3 Sn3\n1.0\n3.803256 -6.587433 0.000000\n3.803256 6.587433 -0.000000\n0.000000 0.000000 4.664380\nYb Mg Sn\n3 3 3\ndirect\n0.427572 0.427572 0.500000 Yb\n0.000000 0.572428 0.500000 Yb\n0.572428 0.000000 0.500000 Yb\n0.249228 0.000000 0.000000 Mg\n0.750772 0.750772 0.000000 Mg\n0.000000 0.249228 0.000000 Mg\n0.333334 0.666667 0.000000 Sn\n0.666667 0.333334 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n",
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"spacegroup": 189
},
{
"id": "jvasp-41015",
"created_at": "2022-09-04T14:38:29.293347Z",
"updated_at": "2022-09-04T14:38:29.293370Z",
"structure_string": "Yb4 Mg4 Si4\n1.0\n4.413728 -0.000000 0.000000\n-0.000000 7.422661 0.000000\n0.000000 0.000000 8.205373\nYb Mg Si\n4 4 4\ndirect\n0.250000 0.518952 0.180801 Yb\n0.250000 0.018952 0.319199 Yb\n0.750000 0.981048 0.680801 Yb\n0.750000 0.481048 0.819198 Yb\n0.750000 0.854548 0.064634 Mg\n0.750000 0.354548 0.435366 Mg\n0.250000 0.645452 0.564633 Mg\n0.250000 0.145452 0.935366 Mg\n0.750000 0.230381 0.114483 Si\n0.750000 0.730381 0.385517 Si\n0.250000 0.269619 0.614483 Si\n0.250000 0.769619 0.885517 Si\n",
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},
{
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"created_at": "2022-09-04T14:37:20.134500Z",
"updated_at": "2022-09-04T14:37:20.134529Z",
"structure_string": "Yb4 Mg2 Si4\n1.0\n7.185922 0.000000 0.000000\n0.000000 7.185922 0.000000\n0.000000 0.000000 4.461190\nYb Mg Si\n4 2 4\ndirect\n0.325958 0.825958 0.500000 Yb\n0.825958 0.674041 0.500000 Yb\n0.174042 0.325958 0.500000 Yb\n0.674041 0.174042 0.500000 Yb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.881359 0.381359 0.000000 Si\n0.381359 0.118641 0.000000 Si\n0.118641 0.618641 0.000000 Si\n0.618641 0.881359 0.000000 Si\n",
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}