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{
"id": "jvasp-20106",
"created_at": "2022-09-04T14:36:38.007725Z",
"updated_at": "2022-09-04T14:36:38.007756Z",
"structure_string": "Mg1 Rh1\n1.0\n3.109579 -0.000000 -0.000000\n-0.000000 3.109579 -0.000000\n0.000000 0.000000 3.109579\nMg Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Rh\n",
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{
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"structure_string": "Li4 Mn4 F12\n1.0\n5.230421 0.000000 0.000000\n0.000000 5.220419 0.000000\n0.000000 0.000000 8.359539\nLi Mn F\n4 4 12\ndirect\n0.483413 0.863413 0.002073 Li\n0.983413 0.363413 0.497927 Li\n0.483413 0.636587 0.502073 Li\n0.983413 0.136587 0.997927 Li\n0.450321 0.353505 0.175492 Mn\n0.950321 0.853505 0.324508 Mn\n0.450321 0.146495 0.675493 Mn\n0.950321 0.646495 0.824508 Mn\n0.728211 0.994148 0.837667 F\n0.228211 0.494148 0.662334 F\n0.724394 0.454841 0.651092 F\n0.646933 0.953457 0.493350 F\n0.146933 0.046543 0.506650 F\n0.724394 0.045159 0.151092 F\n0.728211 0.505852 0.337667 F\n0.228211 0.005852 0.162334 F\n0.224394 0.954841 0.848908 F\n0.646933 0.546543 -0.006650 F\n0.224394 0.545159 0.348908 F\n0.146933 0.453457 0.006650 F\n",
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{
"id": "jvasp-118614",
"created_at": "2022-09-04T14:38:48.778555Z",
"updated_at": "2022-09-04T14:38:48.778589Z",
"structure_string": "Li2 O1\n1.0\n7.040120 1.089747 0.062432\n-2.580083 -1.855968 0.228493\n2.303039 -0.780688 -2.124271\nLi O\n2 1\ndirect\n0.373495 -0.084592 0.484916 Li\n-0.127630 0.413592 0.487185 Li\n0.122935 0.164484 -0.013975 O\n",
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"volume": 24.005443677923697,
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"formula_full": "Li2 O1",
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"spacegroup": 225
},
{
"id": "jvasp-99549",
"created_at": "2022-09-04T14:36:34.951309Z",
"updated_at": "2022-09-04T14:36:34.951329Z",
"structure_string": "Yb1 Zn2 Si2\n1.0\n3.939256 -0.010110 -4.346031\n-0.593615 3.894286 -4.346031\n0.008708 0.010110 5.865633\nYb Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.250000 0.500001 Zn\n0.250001 0.750001 0.500002 Zn\n0.384357 0.384356 0.000001 Si\n0.615646 0.615645 0.000002 Si\n",
"nsites": 5,
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"volume": 90.29399544402675,
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"formula_full": "Yb1 Zn2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-19813",
"created_at": "2022-09-04T14:37:41.889866Z",
"updated_at": "2022-09-04T14:37:41.889891Z",
"structure_string": "Cd2 Pd2\n1.0\n3.737457 0.000000 -0.000000\n0.000000 4.312833 0.000000\n0.000000 0.000000 4.312833\nCd Pd\n2 2\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"spacegroup": 123
},
{
"id": "jvasp-115596",
"created_at": "2022-09-04T14:38:47.303652Z",
"updated_at": "2022-09-04T14:38:47.303671Z",
"structure_string": "Ba2 O1\n1.0\n7.168259 -0.556272 -0.292917\n-0.483510 -7.200827 2.111278\n0.111950 2.988247 -3.137099\nBa O\n2 1\ndirect\n0.188124 0.593095 -0.002491 Ba\n0.735965 0.929051 0.003115 Ba\n0.081220 0.927669 -0.000021 O\n",
"nsites": 3,
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"spacegroup": 156
},
{
"id": "jvasp-114633",
"created_at": "2022-09-04T14:38:42.625588Z",
"updated_at": "2022-09-04T14:38:42.625618Z",
"structure_string": "Ba1 Ag1 S1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBa Ag S\n1 1 1\ndirect\n0.050373 0.375770 0.000000 Ba\n0.334388 -0.014485 0.000000 Ag\n-0.059874 -0.047064 0.000000 S\n",
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"volume": 192.04741855379137,
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"spacegroup": 6
},
{
"id": "jvasp-111018",
"created_at": "2022-09-04T14:38:36.662646Z",
"updated_at": "2022-09-04T14:38:36.662676Z",
"structure_string": "Nd1 Tl2 In1 Te4\n1.0\n6.781405 0.052153 -2.050341\n-3.724691 5.667172 -2.050341\n-0.027874 -0.052153 7.084530\nNd Tl In Te\n1 2 1 4\ndirect\n0.499999 0.499999 -0.000000 Nd\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.582102 0.966195 -0.000000 Te\n0.966195 0.582102 -0.000000 Te\n0.033804 0.033804 0.615907 Te\n0.417897 0.417897 0.384093 Te\n",
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],
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"density": 7.1876927597041025,
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"volume": 272.20018495724275,
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"formula_full": "Nd1 Tl2 In1 Te4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"id": "jvasp-117996",
"created_at": "2022-09-04T14:38:52.468992Z",
"updated_at": "2022-09-04T14:38:52.469021Z",
"structure_string": "Cd1 Cu1 O2\n1.0\n1.712995 0.988998 5.831861\n-1.712995 0.988998 5.831861\n-0.000000 -1.977996 5.831861\nCd Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cu\n0.899208 0.899208 0.899208 O\n0.100791 0.100791 0.100791 O\n",
"nsites": 4,
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},
{
"id": "jvasp-16096",
"created_at": "2022-09-04T14:35:59.962957Z",
"updated_at": "2022-09-04T14:35:59.962984Z",
"structure_string": "Tl1 Cu2 S2\n1.0\n3.661207 0.000000 -0.994728\n-0.270262 3.651219 -0.994728\n0.009250 0.009961 7.269154\nTl Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.499999 Cu\n0.750001 0.250000 0.499999 Cu\n0.645793 0.645792 0.291583 S\n0.354208 0.354208 0.708416 S\n",
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},
{
"id": "jvasp-12872",
"created_at": "2022-09-04T14:37:26.968901Z",
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"structure_string": "Tl1 Cu2 S2\n1.0\n3.661207 0.000000 -0.994728\n-0.270262 3.651219 -0.994728\n0.009250 0.009961 7.269154\nTl Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.499999 Cu\n0.750001 0.250000 0.499999 Cu\n0.645793 0.645792 0.291583 S\n0.354208 0.354208 0.708416 S\n",
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},
{
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"created_at": "2022-09-04T14:38:09.604451Z",
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"structure_string": "Nd1 Tl1 Te2\n1.0\n-2.275944 -3.942050 0.000000\n-4.551887 0.000000 0.000000\n-2.275944 -1.314017 -8.117871\nNd Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500000 Tl\n0.740797 0.740795 0.777613 Te\n0.259204 0.259204 0.222387 Te\n",
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