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{
"id": "jvasp-103644",
"created_at": "2022-09-04T14:36:52.494097Z",
"updated_at": "2022-09-04T14:36:52.494112Z",
"structure_string": "La4 Mg2 Si4\n1.0\n7.504546 0.000000 0.000000\n0.000000 7.504546 0.000000\n-0.000000 -0.000000 4.486967\nLa Mg Si\n4 2 4\ndirect\n0.680122 0.180122 0.500000 La\n0.319879 0.819879 0.500000 La\n0.180122 0.319879 0.500000 La\n0.819879 0.680122 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.114214 0.614214 -0.000000 Si\n0.885787 0.385786 -0.000000 Si\n0.614214 0.885787 -0.000000 Si\n0.385786 0.114214 -0.000000 Si\n",
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{
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{
"id": "jvasp-13348",
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"updated_at": "2022-09-04T14:36:55.864087Z",
"structure_string": "Ca2 Al4 Se8\n1.0\n6.163055 -0.060617 0.000000\n-2.921872 5.426748 0.000000\n0.000000 0.000000 10.634338\nCa Al Se\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Ca\n0.500000 0.500000 0.750000 Ca\n0.235642 0.761199 0.000000 Al\n0.238801 0.764359 0.500000 Al\n0.761198 0.235641 0.500000 Al\n0.764358 0.238801 0.000000 Al\n0.000000 0.500000 0.173268 Se\n0.191362 0.346923 0.500000 Se\n0.346922 0.191362 0.000000 Se\n0.653077 0.808638 0.000000 Se\n0.499999 -0.000000 0.326732 Se\n0.499999 -0.000000 0.673268 Se\n0.808637 0.653077 0.500000 Se\n0.000000 0.500000 0.826732 Se\n",
"nsites": 14,
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"elements": [
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"spacegroup": 66
},
{
"id": "jvasp-101017",
"created_at": "2022-09-04T14:37:05.629830Z",
"updated_at": "2022-09-04T14:37:05.629862Z",
"structure_string": "Sn6 Au2\n1.0\n6.650149 -0.000000 0.000000\n-3.325074 5.759199 0.000000\n-0.000000 0.000000 5.278506\nSn Au\n6 2\ndirect\n0.172877 0.345755 0.250000 Sn\n0.654246 0.827123 0.250000 Sn\n0.172877 0.827123 0.250000 Sn\n0.827124 0.654246 0.750001 Sn\n0.345755 0.172877 0.750001 Sn\n0.827123 0.172877 0.750001 Sn\n0.333334 0.666667 0.750001 Au\n0.666667 0.333333 0.250000 Au\n",
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{
"id": "jvasp-97349",
"created_at": "2022-09-04T14:36:05.768394Z",
"updated_at": "2022-09-04T14:36:05.768414Z",
"structure_string": "Sr2 In8 Pd2\n1.0\n4.461332 -0.000000 -1.187234\n-0.000000 7.591601 0.000000\n-0.005479 0.000000 8.955318\nSr In Pd\n2 8 2\ndirect\n0.875154 0.250000 0.750310 Sr\n0.124845 0.750000 0.249691 Sr\n0.684098 0.049651 0.368198 In\n0.315901 0.950349 0.631803 In\n0.315901 0.549651 0.631803 In\n0.684098 0.450349 0.368198 In\n0.067911 0.250000 0.135822 In\n0.932088 0.750000 0.864179 In\n0.500000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.224670 0.250000 0.449340 Pd\n0.775330 0.750000 0.550661 Pd\n",
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"formula_full": "Sr2 In8 Pd2",
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{
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"created_at": "2022-09-04T14:35:40.767819Z",
"updated_at": "2022-09-04T14:35:40.767829Z",
"structure_string": "Ba1 P1 Se4\n1.0\n-0.000000 4.232428 4.232428\n4.232428 0.000000 4.232428\n4.232428 4.232428 0.000000\nBa P Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 P\n0.122387 0.625871 0.625871 Se\n0.625871 0.625871 0.625871 Se\n0.625871 0.122387 0.625871 Se\n0.625871 0.625871 0.122387 Se\n",
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"formula_full": "Ba1 P1 Se4",
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"spacegroup": 216
},
{
"id": "jvasp-79358",
"created_at": "2022-09-04T14:37:16.614069Z",
"updated_at": "2022-09-04T14:37:16.614079Z",
"structure_string": "Dy1 Y1 Hg2\n1.0\n-0.000000 3.697398 3.697398\n3.697398 -0.000000 3.697398\n3.697398 3.697398 0.000000\nDy Y Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"Hg"
],
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"formula_full": "Dy1 Y1 Hg2",
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},
{
"id": "jvasp-88650",
"created_at": "2022-09-04T14:35:47.240450Z",
"updated_at": "2022-09-04T14:35:47.240481Z",
"structure_string": "Hg12 Cl16 O4\n1.0\n9.316908 -0.000000 -0.000000\n0.000000 9.316908 -0.000000\n0.000000 -0.000000 9.316908\nHg Cl O\n12 16 4\ndirect\n0.229864 0.176338 0.515717 Hg\n0.176338 0.515717 0.229864 Hg\n0.323662 0.484283 0.729864 Hg\n0.015717 0.270136 0.823662 Hg\n0.823662 0.015717 0.270136 Hg\n0.984283 0.770136 0.676338 Hg\n0.484283 0.729864 0.323662 Hg\n0.676338 0.984283 0.770136 Hg\n0.729864 0.323662 0.484283 Hg\n0.770136 0.676338 0.984283 Hg\n0.270136 0.823662 0.015717 Hg\n0.515717 0.229864 0.176338 Hg\n0.479028 0.666968 0.804032 Cl\n0.020972 0.333032 0.304032 Cl\n0.333032 0.304032 0.020972 Cl\n0.304032 0.020972 0.333032 Cl\n0.927755 0.072245 0.572245 Cl\n0.427755 0.427755 0.427755 Cl\n0.572245 0.927755 0.072245 Cl\n0.833032 0.195968 0.979029 Cl\n0.979029 0.833032 0.195968 Cl\n0.166968 0.695969 0.520972 Cl\n0.666968 0.804032 0.479028 Cl\n0.520972 0.166968 0.695969 Cl\n0.804032 0.479028 0.666968 Cl\n0.695969 0.520972 0.166968 Cl\n0.195968 0.979029 0.833032 Cl\n0.072245 0.572245 0.927755 Cl\n0.674257 0.174257 0.325743 O\n0.325743 0.674257 0.174257 O\n0.174257 0.325743 0.674257 O\n0.825744 0.825744 0.825744 O\n",
"nsites": 32,
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{
"id": "jvasp-123708",
"created_at": "2022-09-04T14:38:53.012578Z",
"updated_at": "2022-09-04T14:38:53.012608Z",
"structure_string": "Si1 Se2\n1.0\n0.967977 -3.461676 -0.077334\n2.513911 4.354222 -0.000000\n0.152573 -0.088088 5.864665\nSi Se\n1 2\ndirect\n-0.000000 0.166677 0.166667 Si\n0.500045 0.666683 0.419399 Se\n0.499955 0.166638 0.913933 Se\n",
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{
"id": "jvasp-113115",
"created_at": "2022-09-04T14:38:43.953628Z",
"updated_at": "2022-09-04T14:38:43.953657Z",
"structure_string": "Ca10 Ge6 F1\n1.0\n6.946303 -0.034467 -5.845218\n-1.526603 6.776562 -5.845218\n0.027706 0.034467 9.078377\nCa Ge F\n10 6 1\ndirect\n0.250000 0.750000 0.500000 Ca\n0.230916 0.230915 0.665571 Ca\n0.068583 0.714115 -0.000000 Ca\n0.714115 0.068583 -0.000001 Ca\n0.285885 0.285885 0.354469 Ca\n0.565345 0.565344 0.334429 Ca\n0.434655 0.769084 -0.000001 Ca\n0.769085 0.434655 -0.000001 Ca\n0.750000 0.250000 0.500000 Ca\n0.931417 0.931416 0.645531 Ca\n0.633999 0.633999 0.761796 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 -0.000000 0.500000 Ge\n0.127797 0.366001 -0.000000 Ge\n0.366001 0.127797 -0.000000 Ge\n0.872203 0.872202 0.238203 Ge\n0.500000 0.500000 -0.000001 F\n",
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{
"id": "jvasp-102467",
"created_at": "2022-09-04T14:36:47.991055Z",
"updated_at": "2022-09-04T14:36:47.991075Z",
"structure_string": "Cd3 Se1\n1.0\n3.896385 0.043789 -5.577527\n-0.350203 3.880862 -5.577527\n-0.039567 -0.043789 6.803606\nCd Se\n3 1\ndirect\n0.750001 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500001 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Se\n",
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}
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}