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{
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{
"id": "jvasp-41626",
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"structure_string": "Tm2 Sb2 Pb4 O12\n1.0\n5.095761 2.930645 0.001881\n-5.095754 2.930634 -0.001894\n-3.263892 -0.000030 9.640185\nTm Sb Pb O\n2 2 4 12\ndirect\n0.249236 0.249232 0.250002 Tm\n0.750763 0.750765 0.749999 Tm\n0.500001 -0.000001 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.906016 0.643068 0.127124 Pb\n0.643069 0.906014 0.372877 Pb\n0.093983 0.356929 0.872878 Pb\n0.356930 0.093983 0.627124 Pb\n0.113996 0.309887 0.414576 O\n0.309888 0.113999 0.085425 O\n0.120511 0.821918 0.350770 O\n0.821924 0.120518 0.149231 O\n0.879488 0.178079 0.649232 O\n0.665319 0.358985 0.878531 O\n0.334681 0.641013 0.121470 O\n0.641020 0.334678 0.378536 O\n0.690111 0.885998 0.914576 O\n0.358980 0.665320 0.621465 O\n0.178075 0.879479 0.850770 O\n0.886004 0.690110 0.585425 O\n",
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{
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"structure_string": "Tm1 Sb1 Pd1\n1.0\n3.334051 3.334051 0.000000\n3.334051 -0.000000 -3.334051\n0.000000 3.334051 -3.334051\nTm Sb Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Sb\n0.500000 0.500000 0.500000 Pd\n",
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"formula_full": "Tm1 Sb1 Pd1",
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{
"id": "jvasp-40080",
"created_at": "2022-09-04T14:37:36.601175Z",
"updated_at": "2022-09-04T14:37:36.601186Z",
"structure_string": "Tm1 Sb1 Pd2\n1.0\n-0.000000 3.381883 3.381883\n3.381883 -0.000000 3.381883\n3.381883 3.381883 -0.000000\nTm Sb Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.249999 0.249999 0.249999 Sb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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"volume": 77.358088791126,
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"formula_full": "Tm1 Sb1 Pd2",
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"formula_anonymous": "ABC2",
"energy_above_hull": 1.3561654375,
"spacegroup": 225
},
{
"id": "jvasp-7824",
"created_at": "2022-09-04T14:36:46.429733Z",
"updated_at": "2022-09-04T14:36:46.429757Z",
"structure_string": "Tm1 Sb1 Pt1\n1.0\n4.014301 -0.000000 2.317658\n1.338101 3.784719 2.317658\n0.000000 0.000000 4.635316\nTm Sb Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Tm\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
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"elements": [
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],
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"density_atomic": 0.04259889505336658,
"volume": 70.42436185825225,
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"formula_full": "Tm1 Sb1 Pt1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-102994",
"created_at": "2022-09-04T14:36:42.034279Z",
"updated_at": "2022-09-04T14:36:42.034297Z",
"structure_string": "Tm1 Sb1 Rh2\n1.0\n4.047636 -0.000000 2.336904\n1.349212 3.816148 2.336904\n0.000000 0.000000 4.673808\nTm Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.499999 Sb\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.749999 Rh\n",
"nsites": 4,
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{
"id": "jvasp-105360",
"created_at": "2022-09-04T14:36:52.120714Z",
"updated_at": "2022-09-04T14:36:52.120744Z",
"structure_string": "Tm1 Sc1 B2 O6\n1.0\n4.429742 -0.013058 3.982680\n1.766952 4.062102 3.982680\n-0.019984 -0.013058 5.956842\nTm Sc B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.499999 0.500000 Sc\n0.246210 0.246210 0.246210 B\n0.753791 0.753789 0.753790 B\n0.524667 0.955856 0.261440 O\n0.261440 0.524666 0.955856 O\n0.955857 0.261439 0.524667 O\n0.738560 0.475333 0.044144 O\n0.044144 0.738560 0.475333 O\n0.475334 0.044143 0.738560 O\n",
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{
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"created_at": "2022-09-04T14:36:44.027840Z",
"updated_at": "2022-09-04T14:36:44.027861Z",
"structure_string": "Tm1 Sc1 Hg2\n1.0\n-0.000021 3.578404 3.578391\n3.578383 0.000009 3.578360\n3.578375 3.578366 0.000018\nTm Sc Hg\n1 1 2\ndirect\n0.750003 0.749996 0.749998 Tm\n0.249993 0.250007 0.250003 Sc\n0.000002 0.999997 -0.000000 Hg\n0.500003 0.499997 0.499998 Hg\n",
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"volume": 91.64081531512522,
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"formula_full": "Tm1 Sc1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-37559",
"created_at": "2022-09-04T14:37:58.773120Z",
"updated_at": "2022-09-04T14:37:58.773146Z",
"structure_string": "Tm1 Sc1 Ru2\n1.0\n0.000000 3.272037 3.272037\n3.272037 0.000000 3.272037\n3.272037 3.272037 0.000000\nTm Sc Ru\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Tm\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
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"elements": [
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"formula_full": "Tm1 Sc1 Ru2",
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},
{
"id": "jvasp-108677",
"created_at": "2022-09-04T14:38:18.893454Z",
"updated_at": "2022-09-04T14:38:18.893475Z",
"structure_string": "Tm1 Sc1 Zn2\n1.0\n4.187969 -0.000000 2.417925\n1.395990 3.948455 2.417925\n-0.000000 -0.000000 4.835850\nTm Sc Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.499999 0.499999 Sc\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.749999 Zn\n",
"nsites": 4,
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],
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"volume": 79.96565011778952,
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{
"id": "jvasp-15071",
"created_at": "2022-09-04T14:36:52.114854Z",
"updated_at": "2022-09-04T14:36:52.114878Z",
"structure_string": "Tm1 Se1\n1.0\n3.466617 -0.000000 2.001453\n1.155539 3.268358 2.001453\n-0.000000 -0.000000 4.002905\nTm Se\n1 1\ndirect\n0.500000 0.500000 0.499998 Tm\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-123719",
"created_at": "2022-09-04T14:38:53.082728Z",
"updated_at": "2022-09-04T14:38:53.082755Z",
"structure_string": "Tm1 Se2\n1.0\n2.128640 -3.579265 -0.579508\n2.035416 3.525441 -0.000000\n-0.705956 0.407584 5.861674\nTm Se\n1 2\ndirect\n0.000000 0.333359 0.166667 Tm\n0.770890 0.718766 0.426842 Se\n0.229110 -0.052125 0.906490 Se\n",
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},
{
"id": "jvasp-25637",
"created_at": "2022-09-04T14:37:42.519978Z",
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"structure_string": "Tm4 Se4 O12 F4\n1.0\n0.000000 6.549535 0.020355\n6.832595 0.000000 0.000000\n0.000000 -1.051965 -7.000321\nTm Se O F\n4 4 12 4\ndirect\n0.864015 0.858424 0.175138 Tm\n0.135987 0.141577 0.824862 Tm\n0.864015 0.641577 0.675138 Tm\n0.135986 0.358423 0.324862 Tm\n0.356562 0.882153 0.291985 Se\n0.356562 0.617848 0.791985 Se\n0.643440 0.117848 0.708016 Se\n0.643440 0.382153 0.208016 Se\n0.176435 0.806930 0.782336 O\n0.481409 0.311942 0.363621 O\n0.481409 0.188059 0.863621 O\n0.826107 0.966463 0.852978 O\n0.518593 0.688059 0.636379 O\n0.176435 0.693071 0.282336 O\n0.823567 0.306930 0.717665 O\n0.518593 0.811942 0.136379 O\n0.823566 0.193070 0.217665 O\n0.826106 0.533538 0.352978 O\n0.173895 0.466462 0.647022 O\n0.173895 0.033538 0.147022 O\n0.166229 0.113457 0.524874 F\n0.833773 0.613457 0.975126 F\n0.166229 0.386543 0.024874 F\n0.833772 0.886544 0.475126 F\n",
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}