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{
"id": "jvasp-90777",
"created_at": "2022-09-04T14:36:22.222799Z",
"updated_at": "2022-09-04T14:36:22.222828Z",
"structure_string": "Sr6 Mg2\n1.0\n4.340199 0.000000 0.000000\n0.000000 12.880330 0.000000\n0.000000 0.000000 6.366834\nSr Mg\n6 2\ndirect\n0.500000 0.000000 0.916670 Sr\n0.000000 0.282440 0.916654 Sr\n0.500000 0.217560 0.416654 Sr\n0.000000 0.500000 0.416670 Sr\n0.500000 0.782440 0.416654 Sr\n0.000000 0.717560 0.916654 Sr\n0.000000 0.000000 0.416688 Mg\n0.500000 0.500000 0.916688 Mg\n",
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{
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"structure_string": "Tl4 Pd2\n1.0\n5.472710 -0.013907 -1.516771\n-3.168604 4.462140 -1.516767\n0.007201 0.013907 5.679006\nTl Pd\n4 2\ndirect\n0.335465 0.835465 0.170930 Tl\n0.164535 0.335465 0.500000 Tl\n0.835465 0.664535 0.500000 Tl\n0.664535 0.164535 0.829071 Tl\n0.250000 0.250000 -0.000000 Pd\n0.750000 0.750000 -0.000000 Pd\n",
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{
"id": "jvasp-110604",
"created_at": "2022-09-04T14:38:38.655401Z",
"updated_at": "2022-09-04T14:38:38.655428Z",
"structure_string": "Cd1 Sb1\n1.0\n3.086100 0.000000 0.000000\n0.000000 3.255881 0.000000\n0.000000 0.000000 5.479362\nCd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 2,
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"elements": [
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"spacegroup": 47
},
{
"id": "jvasp-66413",
"created_at": "2022-09-04T14:35:46.261530Z",
"updated_at": "2022-09-04T14:35:46.261561Z",
"structure_string": "Ba1 Mg1 Sn1\n1.0\n0.000000 3.936334 3.936334\n3.936334 0.000000 3.936334\n3.936334 3.936334 -0.000000\nBa Mg Sn\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
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"elements": [
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"density": 3.8162027910068925,
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"volume": 121.98482850696502,
"volume_molar": 24.486993595113464,
"formula_full": "Ba1 Mg1 Sn1",
"formula_reduced": "BaMgSn",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-16425",
"created_at": "2022-09-04T14:38:14.365211Z",
"updated_at": "2022-09-04T14:38:14.365236Z",
"structure_string": "Sr2 Ag2 Sb2\n1.0\n2.742555 -4.750246 -0.000000\n2.742555 4.750246 -0.000000\n0.000000 -0.000000 6.538065\nSr Ag Sb\n2 2 2\ndirect\n0.666668 0.333334 0.750001 Sr\n0.333334 0.666668 0.250000 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333334 0.666668 0.750001 Sb\n0.666668 0.333334 0.250000 Sb\n",
"nsites": 6,
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"volume": 170.35334918611767,
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"formula_full": "Sr2 Ag2 Sb2",
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"spacegroup": 194
},
{
"id": "jvasp-13854",
"created_at": "2022-09-04T14:37:05.625029Z",
"updated_at": "2022-09-04T14:37:05.625054Z",
"structure_string": "Sr2 Ag2 Sb2\n1.0\n2.742483 -4.750121 -0.000000\n2.742483 4.750121 0.000000\n-0.000000 0.000000 6.538377\nSr Ag Sb\n2 2 2\ndirect\n0.666666 0.333332 0.750000 Sr\n0.333332 0.666666 0.250000 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333332 0.666666 0.750000 Sb\n0.666666 0.333332 0.250000 Sb\n",
"nsites": 6,
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"formula_full": "Sr2 Ag2 Sb2",
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{
"id": "jvasp-38884",
"created_at": "2022-09-04T14:37:59.942665Z",
"updated_at": "2022-09-04T14:37:59.942685Z",
"structure_string": "Nd1 Zn1 Au2\n1.0\n0.000007 3.497450 3.497453\n3.497454 0.000005 3.497455\n3.497455 3.497453 0.000004\nNd Zn Au\n1 1 2\ndirect\n0.249998 0.249999 0.249999 Nd\n0.749998 0.750001 0.750000 Zn\n0.000000 0.000000 0.000000 Au\n0.499998 0.500000 0.499999 Au\n",
"nsites": 4,
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{
"id": "jvasp-2994",
"created_at": "2022-09-04T14:36:38.523805Z",
"updated_at": "2022-09-04T14:36:38.523831Z",
"structure_string": "Ca1 Mg2 Sb2\n1.0\n2.331295 -4.037921 0.000000\n2.331295 4.037921 0.000000\n0.000000 0.000000 7.541484\nCa Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.368473 Mg\n0.333334 0.666668 0.631527 Mg\n0.333334 0.666668 0.243201 Sb\n0.666668 0.333334 0.756799 Sb\n",
"nsites": 5,
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"volume": 141.98480188883244,
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"formula_full": "Ca1 Mg2 Sb2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-25295",
"created_at": "2022-09-04T14:37:54.532710Z",
"updated_at": "2022-09-04T14:37:54.532729Z",
"structure_string": "I1\n1.0\n2.704406 -0.000526 -1.294211\n-0.796357 3.193689 -1.661903\n0.422280 0.241825 4.351191\nI\n1\ndirect\n0.017320 0.995438 0.003323 I\n",
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"elements": [
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{
"id": "jvasp-25350",
"created_at": "2022-09-04T14:37:45.262123Z",
"updated_at": "2022-09-04T14:37:45.262147Z",
"structure_string": "Hf1\n1.0\n2.724749 0.000000 1.573134\n0.908249 2.568918 1.573134\n0.000000 0.000000 3.146269\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
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},
{
"id": "jvasp-16086",
"created_at": "2022-09-04T14:36:03.532830Z",
"updated_at": "2022-09-04T14:36:03.532856Z",
"structure_string": "Hf1\n1.0\n2.724752 0.000000 1.573136\n0.908251 2.568921 1.573136\n0.000000 0.000000 3.146273\nHf\n1\ndirect\n0.000000 0.000000 0.000000 Hf\n",
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},
{
"id": "jvasp-38170",
"created_at": "2022-09-04T14:37:52.381483Z",
"updated_at": "2022-09-04T14:37:52.381508Z",
"structure_string": "Li1 Ag2 Pb1\n1.0\n0.000000 3.424609 3.424609\n3.424609 0.000000 3.424609\n3.424609 3.424609 -0.000000\nLi Ag Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.750001 0.750001 0.750001 Pb\n",
"nsites": 4,
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