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{
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{
"id": "jvasp-69088",
"created_at": "2022-09-04T14:35:59.359505Z",
"updated_at": "2022-09-04T14:35:59.359525Z",
"structure_string": "Ba1 Co1 Hg4\n1.0\n0.000000 4.309773 4.309773\n4.309773 0.000000 4.309773\n4.309773 4.309773 -0.000000\nBa Co Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Co\n0.122029 0.625990 0.625990 Hg\n0.625990 0.625990 0.625990 Hg\n0.625990 0.122029 0.625990 Hg\n0.625990 0.625990 0.122029 Hg\n",
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{
"id": "jvasp-87978",
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"structure_string": "Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n",
"nsites": 28,
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"density": 7.249664276187882,
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"volume": 1017.6977879016674,
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"formula_full": "Hg12 Te8 I8",
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"spacegroup": 15
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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",
"nsites": 6,
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"elements": [
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],
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"density": 5.56169386367612,
"density_atomic": 0.027437039601934627,
"volume": 218.68248495646486,
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"formula_full": "Cd2 I4",
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"spacegroup": 186
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{
"id": "jvasp-3843",
"created_at": "2022-09-04T14:35:51.721699Z",
"updated_at": "2022-09-04T14:35:51.721712Z",
"structure_string": "K2 Tl2 O2\n1.0\n3.520590 0.000000 -0.990525\n-0.493436 6.007240 -1.753804\n-0.020774 -0.042956 6.677981\nK Tl O\n2 2 2\ndirect\n0.130219 0.345788 0.260436 K\n0.869782 0.654211 0.739563 K\n0.634245 0.846282 0.268490 Tl\n0.365755 0.153718 0.731509 Tl\n0.750677 0.220814 0.501352 O\n0.249323 0.779186 0.498648 O\n",
"nsites": 6,
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"elements": [
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"O"
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"density_atomic": 0.04260668296063741,
"volume": 140.8229785346857,
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"spacegroup": 12
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{
"id": "jvasp-70924",
"created_at": "2022-09-04T14:35:55.099104Z",
"updated_at": "2022-09-04T14:35:55.099130Z",
"structure_string": "Mg2 Be1 Cl1\n1.0\n3.291303 0.000000 -0.000000\n-0.000000 3.291303 -0.000000\n-0.000000 -0.000000 7.678686\nMg Be Cl\n2 1 1\ndirect\n-0.000000 -0.000000 -0.022705 Mg\n0.500000 0.500000 0.438334 Mg\n0.000000 0.000000 0.291702 Be\n0.500000 0.500000 0.792670 Cl\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-65190",
"created_at": "2022-09-04T14:35:48.257267Z",
"updated_at": "2022-09-04T14:35:48.257289Z",
"structure_string": "K1 Be1 In4\n1.0\n0.000000 4.424675 4.424675\n4.424675 -0.000000 4.424675\n4.424675 4.424675 -0.000000\nK Be In\n1 1 4\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Be\n0.123592 0.625470 0.625470 In\n0.625470 0.625470 0.625470 In\n0.625470 0.123592 0.625470 In\n0.625470 0.625470 0.123592 In\n",
"nsites": 6,
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"spacegroup": 216
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{
"id": "jvasp-39287",
"created_at": "2022-09-04T14:35:54.937400Z",
"updated_at": "2022-09-04T14:35:54.937426Z",
"structure_string": "K3 Sn1\n1.0\n0.000000 4.351332 4.351332\n4.351332 0.000000 4.351332\n4.351332 4.351332 0.000000\nK Sn\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 K\n0.749999 0.749999 0.749999 Sn\n",
"nsites": 4,
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"volume": 164.77702493197293,
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"formula_full": "K3 Sn1",
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"formula_anonymous": "AB3",
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"spacegroup": 225
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{
"id": "jvasp-65024",
"created_at": "2022-09-04T14:35:55.296578Z",
"updated_at": "2022-09-04T14:35:55.296604Z",
"structure_string": "Mg4 Be1 Ni1\n1.0\n-0.000000 3.828240 3.828240\n3.828240 0.000000 3.828240\n3.828240 3.828240 0.000000\nMg Be Ni\n4 1 1\ndirect\n0.125683 0.624773 0.624773 Mg\n0.624773 0.624773 0.624773 Mg\n0.624773 0.125683 0.624773 Mg\n0.624773 0.624773 0.125683 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 6,
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"volume": 112.20894158794445,
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"formula_full": "Mg4 Be1 Ni1",
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"spacegroup": 216
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{
"id": "jvasp-65801",
"created_at": "2022-09-04T14:36:03.533573Z",
"updated_at": "2022-09-04T14:36:03.533601Z",
"structure_string": "Ba1 Sr1 Cl2\n1.0\n4.160983 0.000000 0.000000\n0.000000 4.161285 0.000000\n0.000000 0.000000 7.952057\nBa Sr Cl\n1 1 2\ndirect\n0.500000 0.500001 0.845675 Ba\n0.000000 0.000000 0.385836 Sr\n0.000000 0.000000 0.002917 Cl\n0.500000 0.500001 0.265573 Cl\n",
"nsites": 4,
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{
"id": "jvasp-74253",
"created_at": "2022-09-04T14:35:59.330411Z",
"updated_at": "2022-09-04T14:35:59.330431Z",
"structure_string": "Sr2 Be1 Zn1\n1.0\n-2.697474 2.697474 3.811502\n2.697474 -2.697474 3.811502\n2.697474 2.697474 -3.811502\nSr Be Zn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Zn\n",
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{
"id": "jvasp-63576",
"created_at": "2022-09-04T14:35:59.092820Z",
"updated_at": "2022-09-04T14:35:59.092847Z",
"structure_string": "Na18 As6\n1.0\n4.386619 -7.597847 0.000000\n4.386619 7.597847 0.000000\n-0.000000 -0.000000 8.988453\nNa As\n18 6\ndirect\n0.698551 0.698551 0.414084 Na\n0.000000 0.000000 0.202841 Na\n0.000000 0.000000 0.702841 Na\n0.333333 0.666667 0.767690 Na\n0.666667 0.333333 0.267690 Na\n0.333333 0.666667 0.267690 Na\n0.666667 0.333333 0.767690 Na\n-0.000000 0.638960 0.575581 Na\n0.361040 0.361040 0.575581 Na\n0.638960 -0.000000 0.575581 Na\n-0.000000 0.361040 0.075581 Na\n0.638960 0.638960 0.075581 Na\n0.698551 -0.000000 0.914084 Na\n-0.000000 0.698551 0.914084 Na\n0.301449 0.301449 0.914084 Na\n0.301449 -0.000000 0.414084 Na\n-0.000000 0.301449 0.414084 Na\n0.361040 -0.000000 0.075581 Na\n-0.000000 0.669251 0.244895 As\n0.669251 0.669251 0.744894 As\n-0.000000 0.330749 0.744894 As\n0.330749 -0.000000 0.744894 As\n0.330749 0.330749 0.244895 As\n0.669251 -0.000000 0.244895 As\n",
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{
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"structure_string": "Be1 Hg4 Pd1\n1.0\n0.000000 4.037263 4.037263\n4.037263 -0.000000 4.037263\n4.037263 4.037263 0.000000\nBe Hg Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125718 0.624761 0.624761 Hg\n0.624761 0.624761 0.624761 Hg\n0.624761 0.125718 0.624761 Hg\n0.624761 0.624761 0.125718 Hg\n0.250000 0.250000 0.250000 Pd\n",
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