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{
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"results": [
{
"id": "jvasp-16649",
"created_at": "2022-09-04T14:37:53.182330Z",
"updated_at": "2022-09-04T14:37:53.182345Z",
"structure_string": "Lu6 Sb2 Mo1\n1.0\n3.973235 -6.881844 0.000000\n3.973235 6.881844 -0.000000\n-0.000000 -0.000000 4.261375\nLu Sb Mo\n6 2 1\ndirect\n0.608339 -0.000000 0.500001 Lu\n0.391660 0.391660 0.500001 Lu\n-0.000000 0.608339 0.500001 Lu\n-0.000000 0.238741 0.000000 Lu\n0.761257 0.761257 0.000000 Lu\n0.238741 -0.000000 0.000000 Lu\n0.666666 0.333332 0.000000 Sb\n0.333332 0.666666 0.000000 Sb\n0.000000 0.000000 0.500001 Mo\n",
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{
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"structure_string": "Lu4 Mn4 Si4\n1.0\n4.161862 -0.000000 0.000000\n-0.000000 6.823359 0.000000\n0.000000 0.000000 6.876530\nLu Mn Si\n4 4 4\ndirect\n0.250000 0.487968 0.190729 Lu\n0.750000 0.512032 0.809271 Lu\n0.250000 -0.012032 0.309271 Lu\n0.750000 0.012032 0.690729 Lu\n0.750000 0.847059 0.063442 Mn\n0.250000 0.152941 0.936558 Mn\n0.750000 0.347059 0.436558 Mn\n0.250000 0.652941 0.563442 Mn\n0.250000 0.802301 0.895671 Si\n0.750000 0.197699 0.104329 Si\n0.250000 0.302301 0.604329 Si\n0.750000 0.697699 0.395671 Si\n",
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"formula_full": "Lu4 Mn4 Si4",
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{
"id": "jvasp-103010",
"created_at": "2022-09-04T14:36:43.991618Z",
"updated_at": "2022-09-04T14:36:43.991646Z",
"structure_string": "Lu6 Mn1 Sb2\n1.0\n7.946048 -0.000000 -0.000000\n-3.973023 6.881480 -0.000000\n0.000000 -0.000000 4.119589\nLu Mn Sb\n6 1 2\ndirect\n0.234163 0.000000 0.500000 Lu\n0.000000 0.234163 0.500000 Lu\n0.765838 0.765837 0.500000 Lu\n0.610691 0.000000 0.000000 Lu\n0.000000 0.610691 0.000000 Lu\n0.389310 0.389309 0.000000 Lu\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.500000 Sb\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 9,
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"volume": 225.2614762966541,
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"formula_full": "Lu6 Mn1 Sb2",
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"spacegroup": 189
},
{
"id": "jvasp-11179",
"created_at": "2022-09-04T14:37:03.643669Z",
"updated_at": "2022-09-04T14:37:03.643690Z",
"structure_string": "Lu4 Mn2 S8\n1.0\n6.652515 -0.000000 3.840831\n2.217505 6.272051 3.840831\n0.000000 0.000000 7.681662\nLu Mn S\n4 2 8\ndirect\n0.499999 0.500000 0.000000 Lu\n0.499999 0.500000 0.500000 Lu\n-0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.874999 0.875000 0.875000 Mn\n0.125000 0.125000 0.125000 Mn\n0.745930 0.745931 0.745932 S\n0.254068 0.254069 0.737795 S\n0.254068 0.737795 0.254069 S\n0.737794 0.254069 0.254069 S\n0.745931 0.262205 0.745931 S\n0.262204 0.745931 0.745931 S\n0.254068 0.254069 0.254069 S\n0.745930 0.745931 0.262205 S\n",
"nsites": 14,
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"elements": [
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"density": 5.524121768133462,
"density_atomic": 0.043679473838799755,
"volume": 320.5166813974767,
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"formula_full": "Lu4 Mn2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-55798",
"created_at": "2022-09-04T14:38:19.396422Z",
"updated_at": "2022-09-04T14:38:19.396444Z",
"structure_string": "Lu4 Mn4 O12\n1.0\n5.176951 0.000000 0.000000\n-0.000000 5.608394 0.000000\n0.000000 0.000000 7.476994\nLu Mn O\n4 4 12\ndirect\n0.022185 0.920583 0.750000 Lu\n0.522185 0.579416 0.250000 Lu\n0.477815 0.420583 0.750000 Lu\n0.977815 0.079416 0.250000 Lu\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.623685 0.044644 0.750000 O\n0.123685 0.455356 0.250000 O\n0.691628 0.313655 0.061169 O\n0.191629 0.186344 0.938831 O\n0.808371 0.813655 0.438831 O\n0.191629 0.186344 0.561168 O\n0.308371 0.686344 0.938831 O\n0.808371 0.813655 0.061169 O\n0.876315 0.544643 0.750000 O\n0.691628 0.313655 0.438831 O\n0.308371 0.686344 0.561168 O\n0.376315 0.955356 0.250000 O\n",
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"elements": [
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"chemical_system": "Lu-Mn-O",
"density": 8.502822325682244,
"density_atomic": 0.09212773481688645,
"volume": 217.08989198260548,
"volume_molar": 6.536729435462227,
"formula_full": "Lu4 Mn4 O12",
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"spacegroup": 62
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{
"id": "jvasp-91258",
"created_at": "2022-09-04T14:35:42.542410Z",
"updated_at": "2022-09-04T14:35:42.542432Z",
"structure_string": "Lu6 Mn6 O18\n1.0\n6.033066 -0.000000 -0.000000\n-3.016533 5.224788 0.000000\n0.000000 0.000000 11.377827\nLu Mn O\n6 6 18\ndirect\n0.000000 0.000000 0.276656 Lu\n0.333334 0.666667 0.231072 Lu\n0.666667 0.333333 0.731073 Lu\n0.333334 0.666667 0.731073 Lu\n0.666667 0.333333 0.231072 Lu\n0.000000 0.000000 0.776657 Lu\n0.333409 0.000000 0.000774 Mn\n0.333409 0.333408 0.500773 Mn\n0.000001 0.666593 0.500773 Mn\n0.000000 0.333408 0.000774 Mn\n0.666592 0.666593 0.000774 Mn\n0.666593 0.000000 0.500773 Mn\n1.000000 0.304359 0.166299 O\n0.695641 0.695641 0.166299 O\n0.695641 0.000000 0.666300 O\n0.666667 0.333333 0.022382 O\n0.304358 0.000000 0.166299 O\n0.637987 0.000000 0.335647 O\n0.637985 0.637985 0.835647 O\n0.000000 0.362016 0.835647 O\n0.000000 0.637985 0.335647 O\n0.362016 0.362016 0.335647 O\n0.362015 0.000000 0.835647 O\n0.000000 0.000000 0.475274 O\n0.000000 0.000000 0.975274 O\n0.333334 0.666667 0.022382 O\n0.666667 0.333333 0.522382 O\n0.333334 0.666667 0.522382 O\n0.304359 0.304359 0.666300 O\n0.000001 0.695641 0.666300 O\n",
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"volume": 358.6460695596957,
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"formula_full": "Lu6 Mn6 O18",
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"formula_anonymous": "ABC3",
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"spacegroup": 185
},
{
"id": "jvasp-55392",
"created_at": "2022-09-04T14:37:53.975608Z",
"updated_at": "2022-09-04T14:37:53.975626Z",
"structure_string": "Lu4 Mn4 O14\n1.0\n6.008631 -0.000000 3.469085\n2.002877 5.664992 3.469085\n-0.000000 -0.000000 6.938170\nLu Mn O\n4 4 14\ndirect\n0.499999 0.500001 0.500000 Lu\n0.000000 0.500001 0.500000 Lu\n0.499999 0.000000 0.500000 Lu\n0.499999 0.500001 0.000001 Lu\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.499999 0.000000 0.000000 Mn\n0.000000 0.500001 0.999999 Mn\n0.668430 0.081570 0.081569 O\n0.668430 0.081570 0.668432 O\n0.081570 0.668430 0.081569 O\n0.625000 0.624999 0.625002 O\n0.918431 0.331569 0.331570 O\n0.331569 0.918431 0.331570 O\n0.331569 0.331569 0.918432 O\n0.918431 0.918431 0.331570 O\n0.918431 0.331569 0.918432 O\n0.081570 0.668430 0.668432 O\n0.331569 0.918431 0.918432 O\n0.374999 0.375000 0.375001 O\n0.668431 0.668430 0.081571 O\n0.081570 0.081570 0.668430 O\n",
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"spacegroup": 227
},
{
"id": "jvasp-41438",
"created_at": "2022-09-04T14:37:34.889185Z",
"updated_at": "2022-09-04T14:37:34.889216Z",
"structure_string": "Lu1 Mg1 Zn2\n1.0\n-0.000000 3.354675 3.354675\n3.354675 0.000000 3.354675\n3.354675 3.354675 -0.000000\nLu Mg Zn\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Lu\n0.750002 0.750002 0.750002 Mg\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n",
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"formula_full": "Lu1 Mg1 Zn2",
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},
{
"id": "jvasp-40036",
"created_at": "2022-09-04T14:37:47.185482Z",
"updated_at": "2022-09-04T14:37:47.185502Z",
"structure_string": "Y1 Lu1 Mg2\n1.0\n0.000000 3.740614 3.740614\n3.740614 0.000000 3.740614\n3.740614 3.740614 0.000000\nY Lu Mg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Y\n0.249999 0.249999 0.249999 Lu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
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},
{
"id": "jvasp-41396",
"created_at": "2022-09-04T14:38:09.326347Z",
"updated_at": "2022-09-04T14:38:09.326371Z",
"structure_string": "Tm1 Lu1 Mg2\n1.0\n0.000000 3.710043 3.710043\n3.710043 0.000000 3.710043\n3.710043 3.710043 -0.000000\nTm Lu Mg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n",
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},
{
"id": "jvasp-41483",
"created_at": "2022-09-04T14:37:37.901933Z",
"updated_at": "2022-09-04T14:37:37.901957Z",
"structure_string": "Lu2 Mg1 Tc1\n1.0\n0.000000 3.471437 3.471437\n3.471437 0.000000 3.471437\n3.471437 3.471437 -0.000000\nLu Mg Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Lu\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Tc\n",
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{
"id": "jvasp-111859",
"created_at": "2022-09-04T14:38:42.151875Z",
"updated_at": "2022-09-04T14:38:42.151893Z",
"structure_string": "Lu3 Mg2 Ti1 S8\n1.0\n6.653428 0.000695 3.841269\n2.217445 6.158426 3.841352\n-0.000107 0.000046 7.682532\nLu Mg Ti S\n3 2 1 8\ndirect\n0.500001 0.500005 0.499993 Lu\n0.499999 0.499996 0.000000 Lu\n0.000000 0.499998 0.500003 Lu\n0.875698 0.872921 0.875692 Mg\n0.124304 0.127080 0.124308 Mg\n0.500003 -0.000001 0.500003 Ti\n0.735485 0.758694 0.735510 S\n0.264524 0.241298 0.729687 S\n0.255516 0.733398 0.255536 S\n0.729685 0.241270 0.264524 S\n0.744480 0.266602 0.744458 S\n0.270316 0.758732 0.735472 S\n0.264514 0.241300 0.264497 S\n0.735482 0.758704 0.270313 S\n",
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}
]
}