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{
"id": "jvasp-10332",
"created_at": "2022-09-04T14:37:20.190469Z",
"updated_at": "2022-09-04T14:37:20.190492Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.654276 -0.000000 0.000000\n-1.827137 4.809533 -0.000000\n0.000000 -0.000000 11.258094\nMg Mn O\n2 4 10\ndirect\n0.911419 0.822836 0.750000 Mg\n0.088582 0.177165 0.250000 Mg\n0.224816 0.449633 0.597185 Mn\n0.775185 0.550367 0.402813 Mn\n0.775185 0.550367 0.097186 Mn\n0.224816 0.449633 0.902814 Mn\n0.691873 0.383746 0.250000 O\n0.308128 0.616254 0.750000 O\n0.227071 0.454140 0.079442 O\n0.772931 0.545860 0.920558 O\n0.772931 0.545860 0.579442 O\n0.227071 0.454140 0.420557 O\n0.053512 0.107022 0.623315 O\n0.946488 0.892977 0.376684 O\n0.053512 0.107022 0.876684 O\n0.946488 0.892977 0.123316 O\n",
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{
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"updated_at": "2022-09-04T14:36:39.006450Z",
"structure_string": "Ti2 Fe1 Tc1\n1.0\n3.709374 0.000000 2.141608\n1.236458 3.497232 2.141608\n-0.000000 -0.000000 4.283217\nTi Fe Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750001 Ti\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.000000 Tc\n",
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{
"id": "jvasp-103317",
"created_at": "2022-09-04T14:36:53.307145Z",
"updated_at": "2022-09-04T14:36:53.307167Z",
"structure_string": "Tb1 Mg1 Tl2\n1.0\n4.544219 0.000000 2.623605\n1.514740 4.284330 2.623605\n0.000000 0.000000 5.247212\nTb Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500001 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750001 Tl\n",
"nsites": 4,
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"elements": [
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"density": 9.62271863719139,
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"volume": 102.1576230010158,
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"formula_full": "Tb1 Mg1 Tl2",
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"spacegroup": 225
},
{
"id": "jvasp-103314",
"created_at": "2022-09-04T14:36:51.948777Z",
"updated_at": "2022-09-04T14:36:51.948806Z",
"structure_string": "Tb6 Pr2\n1.0\n7.219456 -0.000000 -0.000000\n-3.609728 6.252233 0.000000\n0.000000 0.000000 5.733559\nTb Pr\n6 2\ndirect\n0.165330 0.330660 0.250000 Tb\n0.669340 0.834670 0.250000 Tb\n0.165330 0.834670 0.250000 Tb\n0.834670 0.669340 0.750000 Tb\n0.330660 0.165330 0.750000 Tb\n0.834670 0.165330 0.750000 Tb\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
"nsites": 8,
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"elements": [
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"volume": 258.7997867384711,
"volume_molar": 19.481609304963175,
"formula_full": "Tb6 Pr2",
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"formula_anonymous": "AB3",
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"spacegroup": 194
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{
"id": "jvasp-103313",
"created_at": "2022-09-04T14:36:50.667833Z",
"updated_at": "2022-09-04T14:36:50.667853Z",
"structure_string": "Tb3 Eu1\n1.0\n4.993698 0.000000 -0.000000\n0.000000 4.993698 0.000000\n0.000000 -0.000000 4.993698\nTb Eu\n3 1\ndirect\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 4,
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"volume": 124.5279454777748,
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{
"id": "jvasp-103312",
"created_at": "2022-09-04T14:36:50.232172Z",
"updated_at": "2022-09-04T14:36:50.232198Z",
"structure_string": "Sr1 Eu3\n1.0\n4.701141 -0.098236 -4.285916\n-0.981645 4.598560 -4.285916\n0.081192 0.098236 6.361070\nSr Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 Eu\n0.250001 0.750000 0.500000 Eu\n0.500000 0.500000 -0.000001 Eu\n",
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"spacegroup": 139
},
{
"id": "jvasp-103311",
"created_at": "2022-09-04T14:36:49.129281Z",
"updated_at": "2022-09-04T14:36:49.129308Z",
"structure_string": "Tb2 Ru1 Rh1\n1.0\n4.180509 0.000000 2.413619\n1.393503 3.941422 2.413619\n-0.000000 -0.000000 4.827236\nTb Ru Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750001 Tb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500001 Rh\n",
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"formula_full": "Tb2 Ru1 Rh1",
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"spacegroup": 225
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{
"id": "jvasp-103310",
"created_at": "2022-09-04T14:38:39.804843Z",
"updated_at": "2022-09-04T14:38:39.804869Z",
"structure_string": "Ta2 Ru6\n1.0\n5.590822 0.000121 0.000000\n-2.795307 4.841855 0.000000\n-0.000000 -0.000000 4.385680\nTa Ru\n2 6\ndirect\n0.333332 0.666664 0.750000 Ta\n0.666664 0.333333 0.250000 Ta\n0.166276 0.332562 0.250000 Ru\n0.667412 0.833714 0.250000 Ru\n0.166268 0.833711 0.250000 Ru\n0.833714 0.667413 0.750000 Ru\n0.332562 0.166277 0.750000 Ru\n0.833711 0.166269 0.750000 Ru\n",
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"volume": 118.72161930293358,
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"formula_full": "Ta2 Ru6",
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"spacegroup": 194
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{
"id": "jvasp-10331",
"created_at": "2022-09-04T14:37:20.128613Z",
"updated_at": "2022-09-04T14:37:20.128630Z",
"structure_string": "Mg2 Cr4 O10\n1.0\n3.642537 -0.000000 0.000000\n-1.821268 4.972640 -0.000000\n0.000000 0.000000 11.128964\nMg Cr O\n2 4 10\ndirect\n0.898705 0.797409 0.750000 Mg\n0.101296 0.202592 0.250000 Mg\n0.210000 0.420001 0.596581 Cr\n0.790001 0.580000 0.403417 Cr\n0.790001 0.580000 0.096583 Cr\n0.210000 0.420001 0.903418 Cr\n0.697285 0.394568 0.250000 O\n0.302716 0.605433 0.750000 O\n0.229995 0.459988 0.077164 O\n0.770008 0.540013 0.922836 O\n0.770008 0.540013 0.577163 O\n0.229995 0.459988 0.422835 O\n0.047374 0.094748 0.629142 O\n0.952626 0.905251 0.370857 O\n0.047374 0.094748 0.870857 O\n0.952626 0.905251 0.129143 O\n",
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"elements": [
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"density": 3.431709694719551,
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{
"id": "jvasp-103308",
"created_at": "2022-09-04T14:36:48.089422Z",
"updated_at": "2022-09-04T14:36:48.089449Z",
"structure_string": "Sr1 Eu3\n1.0\n5.201046 -0.000000 -0.000000\n-0.000000 5.201046 -0.000000\n0.000000 0.000000 5.201046\nSr Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
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{
"id": "jvasp-103307",
"created_at": "2022-09-04T14:38:40.626484Z",
"updated_at": "2022-09-04T14:38:40.626509Z",
"structure_string": "Sn2 Rh6\n1.0\n5.647749 -0.000000 -0.000000\n-2.823874 4.891094 0.000000\n-0.000000 -0.000000 4.501192\nSn Rh\n2 6\ndirect\n0.333333 0.666666 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.162685 0.325371 0.250000 Rh\n0.674629 0.837314 0.250000 Rh\n0.162686 0.837314 0.250000 Rh\n0.837315 0.674628 0.750000 Rh\n0.325371 0.162685 0.750000 Rh\n0.837315 0.162685 0.750000 Rh\n",
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{
"id": "jvasp-103306",
"created_at": "2022-09-04T14:36:47.531238Z",
"updated_at": "2022-09-04T14:36:47.531256Z",
"structure_string": "Sm3 Cd1\n1.0\n4.431332 0.037082 -4.087962\n-0.825537 4.353914 -4.087962\n-0.030451 -0.037082 6.028865\nSm Cd\n3 1\ndirect\n0.749999 0.250000 0.499999 Sm\n0.249999 0.749999 0.499999 Sm\n0.499999 0.499999 -0.000001 Sm\n0.000000 0.000000 0.000000 Cd\n",
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