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{
"id": "jvasp-69399",
"created_at": "2022-09-04T14:35:59.293088Z",
"updated_at": "2022-09-04T14:35:59.293115Z",
"structure_string": "Hf1 Mn1 Be2\n1.0\n-1.808561 1.808561 3.834744\n1.808561 -1.808561 3.834744\n1.808561 1.808561 -3.834744\nHf Mn Be\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Hf\n0.749999 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.500000 Be\n",
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{
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"created_at": "2022-09-04T14:36:08.605731Z",
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"structure_string": "Hf1 Mn1 Be2\n1.0\n2.972994 0.000000 0.000000\n0.000000 2.972994 -0.000000\n0.000000 -0.000000 5.421879\nHf Mn Be\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Hf\n0.499999 0.499999 0.500000 Mn\n0.000000 0.000000 0.686958 Be\n0.000000 0.000000 0.313042 Be\n",
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{
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"structure_string": "Hf1 Mn1 F6\n1.0\n5.033800 -0.000000 2.906265\n1.677933 4.745912 2.906265\n-0.000000 -0.000000 5.812531\nHf Mn F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Hf\n0.000000 0.000000 0.000000 Mn\n0.743762 0.256237 0.256238 F\n0.256237 0.743762 0.743763 F\n0.256237 0.743762 0.256239 F\n0.743762 0.256237 0.743763 F\n0.256237 0.256237 0.743763 F\n0.743762 0.743762 0.256239 F\n",
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"formula_full": "Hf1 Mn1 F6",
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{
"id": "jvasp-59741",
"created_at": "2022-09-04T14:37:06.829198Z",
"updated_at": "2022-09-04T14:37:06.829211Z",
"structure_string": "Hf1 Mn6 Ge6\n1.0\n2.560748 -4.435345 -0.000000\n2.560748 4.435345 -0.000000\n-0.000000 -0.000000 8.090757\nHf Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.249174 Mn\n0.000000 0.500000 0.750826 Mn\n0.500000 0.000000 0.750826 Mn\n0.500000 0.500000 0.750826 Mn\n0.500000 0.000000 0.249174 Mn\n0.500000 0.500000 0.249174 Mn\n0.000000 0.000000 0.337422 Ge\n0.333334 0.666667 0.000000 Ge\n0.666667 0.333334 0.500000 Ge\n0.333334 0.666667 0.500000 Ge\n0.000000 0.000000 0.662578 Ge\n0.666667 0.333334 0.000000 Ge\n",
"nsites": 13,
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"elements": [
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"chemical_system": "Ge-Hf-Mn",
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"volume": 183.7864132702796,
"volume_molar": 8.51375115760889,
"formula_full": "Hf1 Mn6 Ge6",
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"formula_anonymous": "AB6C6",
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"spacegroup": 191
},
{
"id": "jvasp-109277",
"created_at": "2022-09-04T14:38:26.258605Z",
"updated_at": "2022-09-04T14:38:26.258624Z",
"structure_string": "Hf1 Mn1 Ir2\n1.0\n3.887515 -0.000000 2.244458\n1.295838 3.665184 2.244458\n-0.000000 -0.000000 4.488915\nHf Mn Ir\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Hf\n0.000000 0.000000 0.000000 Mn\n0.750000 0.749999 0.750002 Ir\n0.250000 0.250000 0.250001 Ir\n",
"nsites": 4,
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"elements": [
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"density": 16.040997579975414,
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"volume": 63.96011584545354,
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"formula_full": "Hf1 Mn1 Ir2",
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"spacegroup": 225
},
{
"id": "jvasp-103738",
"created_at": "2022-09-04T14:36:43.864787Z",
"updated_at": "2022-09-04T14:36:43.864811Z",
"structure_string": "Hf1 Mn1 N2\n1.0\n3.149248 -0.004021 -0.001171\n1.577594 0.908117 4.600121\n0.005369 0.003091 13.802706\nHf Mn N\n1 1 2\ndirect\n-0.000003 0.999977 0.499999 Hf\n-0.000002 0.999977 0.999998 Mn\n0.000000 -0.000046 0.256268 N\n0.000000 -0.000005 0.743734 N\n",
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"formula_full": "Hf1 Mn1 N2",
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"spacegroup": 166
},
{
"id": "jvasp-43506",
"created_at": "2022-09-04T14:37:19.045607Z",
"updated_at": "2022-09-04T14:37:19.045627Z",
"structure_string": "Hf4 Mn4 O12\n1.0\n5.377833 -0.000000 0.000000\n-0.000000 5.551432 0.000000\n0.000000 0.000000 7.875894\nHf Mn O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.003188 0.961804 0.750000 Mn\n0.496812 0.461804 0.750000 Mn\n0.503187 0.538196 0.250000 Mn\n0.996812 0.038196 0.250000 Mn\n0.824843 0.819606 0.067064 O\n0.675156 0.319607 0.432936 O\n0.675156 0.319607 0.067064 O\n0.625304 0.066236 0.750000 O\n0.374695 0.933764 0.250000 O\n0.175157 0.180393 0.567064 O\n0.324843 0.680393 0.567064 O\n0.175157 0.180393 0.932935 O\n0.824843 0.819606 0.432936 O\n0.125304 0.433764 0.250000 O\n0.324843 0.680393 0.932935 O\n0.874695 0.566235 0.750000 O\n",
"nsites": 20,
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"elements": [
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"O"
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"chemical_system": "Hf-Mn-O",
"density": 7.949896711604414,
"density_atomic": 0.08505851513828715,
"volume": 235.13224945773192,
"volume_molar": 7.079997517249477,
"formula_full": "Hf4 Mn4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-41293",
"created_at": "2022-09-04T14:37:38.950183Z",
"updated_at": "2022-09-04T14:37:38.950216Z",
"structure_string": "Hf1 Mn1 Rh2\n1.0\n0.000004 3.154429 3.154432\n3.154429 0.000007 3.154428\n3.154433 3.154428 0.000004\nHf Mn Rh\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.749999 0.750001 Mn\n0.000001 0.999999 0.000000 Rh\n0.500000 0.500000 0.500001 Rh\n",
"nsites": 4,
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"formula_full": "Hf1 Mn1 Rh2",
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"spacegroup": 225
},
{
"id": "jvasp-23384",
"created_at": "2022-09-04T14:37:34.456081Z",
"updated_at": "2022-09-04T14:37:34.456107Z",
"structure_string": "Hf4 Mn4 Si4\n1.0\n3.763436 -0.000000 0.000000\n-0.000000 6.403138 0.000000\n0.000000 0.000000 7.426394\nHf Mn Si\n4 4 4\ndirect\n0.250000 0.519620 0.683943 Hf\n0.750001 0.480380 0.316057 Hf\n0.250000 0.019620 0.816057 Hf\n0.750001 0.980380 0.183943 Hf\n0.750001 0.846386 0.565198 Mn\n0.250000 0.153615 0.434802 Mn\n0.750001 0.346385 0.934801 Mn\n0.250000 0.653615 0.065198 Mn\n0.250000 0.283157 0.117098 Si\n0.750001 0.716843 0.882901 Si\n0.250000 0.783157 0.382901 Si\n0.750001 0.216843 0.617098 Si\n",
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"formula_full": "Hf4 Mn4 Si4",
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"spacegroup": 62
},
{
"id": "jvasp-52375",
"created_at": "2022-09-04T14:36:55.497778Z",
"updated_at": "2022-09-04T14:36:55.497801Z",
"structure_string": "Hf1 Mn6 Sn6\n1.0\n2.698708 -4.674301 -0.000000\n2.698708 4.674301 0.000000\n-0.000000 0.000000 8.939219\nHf Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.752704 Mn\n0.000000 0.500000 0.247297 Mn\n0.500000 0.000000 0.752704 Mn\n0.500000 0.000000 0.247297 Mn\n0.500000 0.500000 0.752704 Mn\n0.500000 0.500000 0.247297 Mn\n0.333333 0.666667 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.674006 Sn\n0.000000 0.000000 0.325994 Sn\n0.666667 0.333333 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n",
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"formula_full": "Hf1 Mn6 Sn6",
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{
"id": "jvasp-51127",
"created_at": "2022-09-04T14:36:31.985984Z",
"updated_at": "2022-09-04T14:36:31.986004Z",
"structure_string": "Hf1 Mn1 Tl1\n1.0\n-0.000001 3.217986 3.217986\n3.217987 -0.000002 3.217987\n3.217988 3.217987 -0.000003\nHf Mn Tl\n1 1 1\ndirect\n0.250001 0.250000 0.250000 Hf\n0.000000 0.000001 0.000000 Mn\n0.500001 0.500001 0.500000 Tl\n",
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{
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"created_at": "2022-09-04T14:38:11.036394Z",
"updated_at": "2022-09-04T14:38:11.036413Z",
"structure_string": "Hf2 Mo4\n1.0\n4.630145 -0.000000 2.673216\n1.543382 4.365343 2.673216\n-0.000000 -0.000000 5.346430\nHf Mo\n2 4\ndirect\n0.125000 0.125000 0.125000 Hf\n0.875001 0.874999 0.875001 Hf\n0.500001 0.000000 0.500000 Mo\n-0.000000 0.500000 0.500001 Mo\n0.500000 0.500000 0.500001 Mo\n0.500000 0.500000 0.000001 Mo\n",
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}