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{
"id": "jvasp-109628",
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"updated_at": "2022-09-04T14:38:10.340526Z",
"structure_string": "Tl2 Cl6\n1.0\n6.541849 -0.000237 1.062306\n-3.524941 5.510951 1.062306\n0.075010 0.137015 6.309013\nTl Cl\n2 6\ndirect\n0.833609 0.166390 0.000001 Tl\n0.166391 0.833609 0.000001 Tl\n0.417592 0.074956 0.251976 Cl\n0.582408 0.925042 0.748025 Cl\n0.925043 0.582407 0.748025 Cl\n0.074956 0.417591 0.251976 Cl\n0.762744 0.762744 0.256890 Cl\n0.237255 0.237254 0.743111 Cl\n",
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{
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"structure_string": "Tl3 Cl1\n1.0\n4.936005 -0.000000 -0.000000\n0.000000 4.936005 -0.000000\n0.000000 0.000000 4.936005\nTl Cl\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Cl\n",
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{
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"structure_string": "Tl2 Cl2\n1.0\n3.965287 -0.000000 -1.365466\n0.000000 4.834710 -0.000000\n-0.023094 0.000000 6.373229\nTl Cl\n2 2\ndirect\n0.614223 0.250000 0.228443 Tl\n0.385779 0.750000 0.771557 Tl\n0.135379 0.750000 0.270757 Cl\n0.864623 0.250000 0.729243 Cl\n",
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"spacegroup": 63
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{
"id": "jvasp-105085",
"created_at": "2022-09-04T14:36:53.155357Z",
"updated_at": "2022-09-04T14:36:53.155375Z",
"structure_string": "Tl2 Cl3\n1.0\n4.261641 -0.095154 7.610874\n1.912239 3.809722 7.610874\n-0.158153 -0.095154 8.721351\nTl Cl\n2 3\ndirect\n0.595742 0.595743 0.595741 Tl\n0.404258 0.404258 0.404257 Tl\n0.000000 0.000000 0.000000 Cl\n0.211487 0.211488 0.211487 Cl\n0.788513 0.788514 0.788511 Cl\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Cl-Tl",
"density": 5.718374524267202,
"density_atomic": 0.03342568910905978,
"volume": 149.58554732218784,
"volume_molar": 18.016504432717124,
"formula_full": "Tl2 Cl3",
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"formula_anonymous": "A2B3",
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"spacegroup": 166
},
{
"id": "jvasp-103636",
"created_at": "2022-09-04T14:36:48.729844Z",
"updated_at": "2022-09-04T14:36:48.729863Z",
"structure_string": "Tl3 Cd1\n1.0\n4.430877 -0.016603 -4.068773\n-0.866428 4.345371 -4.068773\n0.013671 0.016603 6.015596\nTl Cd\n3 1\ndirect\n0.750000 0.250000 0.500001 Tl\n0.250000 0.750000 0.500000 Tl\n0.500000 0.500000 0.000001 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Tl",
"density": 10.35630647743992,
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"volume": 116.33705725801268,
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"spacegroup": 139
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{
"id": "jvasp-37404",
"created_at": "2022-09-04T14:38:01.992830Z",
"updated_at": "2022-09-04T14:38:01.992867Z",
"structure_string": "Tl3 Cd1\n1.0\n4.873742 0.000000 0.000000\n0.000000 4.873742 0.000000\n0.000000 0.000000 4.873742\nTl Cd\n3 1\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"density": 10.407235026244331,
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"volume": 115.76775354925765,
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{
"id": "jvasp-110047",
"created_at": "2022-09-04T14:38:01.145601Z",
"updated_at": "2022-09-04T14:38:01.145611Z",
"structure_string": "Tl3 Cd1\n1.0\n4.755609 -0.000000 2.745652\n1.585203 4.483631 2.745652\n-0.000000 -0.000000 5.491304\nTl Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.749999 Tl\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-78457",
"created_at": "2022-09-04T14:37:01.461931Z",
"updated_at": "2022-09-04T14:37:01.461962Z",
"structure_string": "Tl1 C1\n1.0\n3.247503 -0.000000 -0.000000\n-0.000000 3.247503 -0.000000\n-0.000000 0.000000 3.247503\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 C\n",
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"elements": [
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"volume": 34.249062088268936,
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"formula_reduced": "TlC",
"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-56815",
"created_at": "2022-09-04T14:37:44.347356Z",
"updated_at": "2022-09-04T14:37:44.347382Z",
"structure_string": "Tl1 C1\n1.0\n3.088595 -0.000000 1.783201\n1.029531 2.911954 1.783201\n-0.000000 -0.000000 3.566402\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.500000 C\n",
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"elements": [
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"volume": 32.075672375789566,
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"spacegroup": 225
},
{
"id": "jvasp-78417",
"created_at": "2022-09-04T14:37:08.924058Z",
"updated_at": "2022-09-04T14:37:08.924081Z",
"structure_string": "Tl1 C1\n1.0\n-0.000000 0.000000 3.081031\n3.443156 -0.000000 -0.000000\n0.000000 3.443156 0.000000\nTl C\n1 1\ndirect\n0.144887 0.000000 0.000000 Tl\n0.145113 0.500001 0.500001 C\n",
"nsites": 2,
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"spacegroup": 123
},
{
"id": "jvasp-8559",
"created_at": "2022-09-04T14:37:09.920262Z",
"updated_at": "2022-09-04T14:37:09.920287Z",
"structure_string": "Tl1 Br1\n1.0\n3.985566 -0.000000 -0.000000\n0.000000 3.985566 -0.000000\n-0.000000 0.000000 3.985566\nTl Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Br\n",
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"spacegroup": 221
},
{
"id": "jvasp-37694",
"created_at": "2022-09-04T14:38:07.091569Z",
"updated_at": "2022-09-04T14:38:07.091601Z",
"structure_string": "Tl6 Br2\n1.0\n3.455967 -5.985909 -0.000000\n3.455967 5.985909 0.000000\n-0.000000 0.000000 6.163393\nTl Br\n6 2\ndirect\n0.832622 0.665243 0.750000 Tl\n0.832622 0.167379 0.750000 Tl\n0.334758 0.167379 0.750000 Tl\n0.167379 0.334758 0.250000 Tl\n0.167379 0.832622 0.250000 Tl\n0.665243 0.832622 0.250000 Tl\n0.666667 0.333333 0.250000 Br\n0.333333 0.666667 0.750000 Br\n",
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"formula_full": "Tl6 Br2",
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"spacegroup": 194
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}