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{
"id": "jvasp-94233",
"created_at": "2022-09-04T14:35:57.343812Z",
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"structure_string": "Mg6 Cd1 Fe1\n1.0\n6.150779 0.023472 0.000000\n-3.055062 5.338466 0.000000\n0.000000 0.000000 4.883823\nMg Cd Fe\n6 1 1\ndirect\n0.166146 0.836395 0.250000 Mg\n0.663606 0.333854 0.250000 Mg\n0.665213 0.834788 0.250000 Mg\n0.328876 0.645832 0.749999 Mg\n0.854169 0.171124 0.749999 Mg\n0.834910 0.665091 0.749999 Mg\n0.330381 0.169619 0.749999 Cd\n0.156701 0.343300 0.250000 Fe\n",
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{
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"updated_at": "2022-09-04T14:36:03.987137Z",
"structure_string": "Ca1 Ag3\n1.0\n4.237288 0.000000 2.446400\n1.412429 3.994954 2.446400\n-0.000000 -0.000000 4.892799\nCa Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ag\n0.750001 0.749999 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
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{
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"updated_at": "2022-09-04T14:35:57.489009Z",
"structure_string": "Ca1 Mg7\n1.0\n6.650862 -0.000000 -0.000000\n-3.325432 5.759815 -0.000000\n-0.000000 0.000000 5.215014\nCa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ca\n0.173510 0.836755 0.250000 Mg\n0.663246 0.326491 0.250000 Mg\n0.663246 0.836755 0.250000 Mg\n0.337817 0.162183 0.749999 Mg\n0.337817 0.675635 0.749999 Mg\n0.824365 0.162183 0.749999 Mg\n0.833333 0.666668 0.749999 Mg\n",
"nsites": 8,
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{
"id": "jvasp-66405",
"created_at": "2022-09-04T14:35:43.828768Z",
"updated_at": "2022-09-04T14:35:43.828798Z",
"structure_string": "Ba1 Hg1 Sb1\n1.0\n-0.000000 3.957095 3.957095\n3.957095 0.000000 3.957095\n3.957095 3.957095 -0.000000\nBa Hg Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Sb\n",
"nsites": 3,
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"density": 6.159457258838491,
"density_atomic": 0.024208162664706566,
"volume": 123.92514217420324,
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"formula_full": "Ba1 Hg1 Sb1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-98569",
"created_at": "2022-09-04T14:35:58.364438Z",
"updated_at": "2022-09-04T14:35:58.364464Z",
"structure_string": "Mg10 Tl4\n1.0\n5.777345 -0.000226 -2.228512\n-1.212274 6.560206 -3.138153\n0.007768 -0.017831 8.613445\nMg Tl\n10 4\ndirect\n0.413826 0.075542 0.827894 Mg\n0.482628 0.732567 0.465024 Mg\n0.249982 0.500027 0.000021 Mg\n0.086073 0.247700 0.172090 Mg\n0.586175 0.924458 0.172106 Mg\n0.517372 0.267433 0.534976 Mg\n0.017396 0.267555 0.534919 Mg\n0.982604 0.732445 0.465082 Mg\n0.913927 0.752300 0.827910 Mg\n0.750018 0.499973 -0.000020 Mg\n0.622335 0.354148 0.244715 Tl\n0.877595 0.109378 0.755210 Tl\n0.122405 0.890622 0.244790 Tl\n0.377665 0.645853 0.755285 Tl\n",
"nsites": 14,
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"elements": [
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"volume": 326.19426267442793,
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"spacegroup": 72
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{
"id": "jvasp-5485",
"created_at": "2022-09-04T14:35:49.231542Z",
"updated_at": "2022-09-04T14:35:49.231570Z",
"structure_string": "Cd2 I4\n1.0\n2.142630 -3.711143 0.000000\n2.142630 3.711143 0.000000\n0.000000 0.000000 13.750837\nCd I\n2 4\ndirect\n0.666667 0.333333 0.500062 Cd\n0.333333 0.666667 0.000062 Cd\n0.000000 0.000000 0.373856 I\n0.000000 0.000000 0.873857 I\n0.333333 0.666667 0.626082 I\n0.666667 0.333333 0.126081 I\n",
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"formula_full": "Cd2 I4",
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"spacegroup": 186
},
{
"id": "jvasp-65186",
"created_at": "2022-09-04T14:35:43.806085Z",
"updated_at": "2022-09-04T14:35:43.806106Z",
"structure_string": "Be1 In1 Cu4\n1.0\n-0.000000 3.451895 3.451895\n3.451895 -0.000000 3.451895\n3.451895 3.451895 -0.000000\nBe In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 In\n0.123007 0.625665 0.625665 Cu\n0.625665 0.625665 0.625665 Cu\n0.625665 0.123007 0.625665 Cu\n0.625665 0.625665 0.123007 Cu\n",
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"density_atomic": 0.07293710546580584,
"volume": 82.26265577282749,
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"formula_full": "Be1 In1 Cu4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-94083",
"created_at": "2022-09-04T14:35:49.230096Z",
"updated_at": "2022-09-04T14:35:49.230117Z",
"structure_string": "Ba1 Mg6 V1\n1.0\n6.604689 0.000411 0.000000\n-3.301988 5.720033 0.000000\n0.000000 0.000000 5.161138\nBa Mg V\n1 6 1\ndirect\n0.416670 0.083330 0.750000 Ba\n0.062425 0.906123 0.250000 Mg\n0.593876 0.437574 0.250000 Mg\n0.593840 0.906159 0.250000 Mg\n0.387371 0.568696 0.750000 Mg\n0.931303 0.112628 0.750000 Mg\n0.931246 0.568753 0.750000 Mg\n0.083265 0.416735 0.250000 V\n",
"nsites": 8,
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"density": 2.845192428316712,
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"volume": 194.98983823413454,
"volume_molar": 14.67820315769485,
"formula_full": "Ba1 Mg6 V1",
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"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-74742",
"created_at": "2022-09-04T14:35:49.073077Z",
"updated_at": "2022-09-04T14:35:49.073101Z",
"structure_string": "Mg4 Be1 Tl1\n1.0\n-0.000000 4.076439 4.076439\n4.076439 0.000000 4.076439\n4.076439 4.076439 0.000000\nMg Be Tl\n4 1 1\ndirect\n0.123295 0.625568 0.625568 Mg\n0.625568 0.625568 0.625568 Mg\n0.625568 0.123295 0.625568 Mg\n0.625568 0.625568 0.123295 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tl\n",
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],
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"volume": 135.47926735133797,
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"spacegroup": 216
},
{
"id": "jvasp-66140",
"created_at": "2022-09-04T14:35:56.201486Z",
"updated_at": "2022-09-04T14:35:56.201504Z",
"structure_string": "Ba1 Se1 Br1\n1.0\n-0.000000 3.853697 3.853697\n3.853697 0.000000 3.853697\n3.853697 3.853697 0.000000\nBa Se Br\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Br\n",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-108001",
"created_at": "2022-09-04T14:35:43.784481Z",
"updated_at": "2022-09-04T14:35:43.784501Z",
"structure_string": "Yb3 Al1\n1.0\n4.719584 -0.000000 2.724853\n1.573195 4.449667 2.724853\n-0.000000 -0.000000 5.449706\nYb Al\n3 1\ndirect\n0.749998 0.750001 0.750000 Yb\n0.249999 0.250000 0.250000 Yb\n0.499999 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Al\n",
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{
"id": "jvasp-21199",
"created_at": "2022-09-04T14:35:53.508452Z",
"updated_at": "2022-09-04T14:35:53.508471Z",
"structure_string": "Th1\n1.0\n3.166958 -0.000000 -1.706713\n-0.919770 3.030453 -1.706713\n-0.107047 -0.144359 3.593006\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
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