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{
"id": "jvasp-30463",
"created_at": "2022-09-04T14:38:08.047219Z",
"updated_at": "2022-09-04T14:38:08.047236Z",
"structure_string": "Zn2 H2\n1.0\n1.350529 -2.339184 0.000000\n1.350529 2.339184 0.000000\n0.000000 0.000000 6.606448\nZn H\n2 2\ndirect\n0.000000 0.000000 0.322573 Zn\n0.333337 0.666668 0.822572 Zn\n0.333337 0.666668 0.552428 H\n0.000000 0.000000 0.052426 H\n",
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"volume": 41.74133314967742,
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{
"id": "jvasp-39637",
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"structure_string": "Zn6 Hg2\n1.0\n3.101529 -5.372007 0.000000\n3.101529 5.372007 -0.000000\n0.000000 -0.000000 4.295919\nZn Hg\n6 2\ndirect\n0.689597 0.844799 0.750000 Zn\n0.155201 0.310403 0.750000 Zn\n0.155201 0.844799 0.750000 Zn\n0.310403 0.155201 0.250000 Zn\n0.844799 0.689597 0.250000 Zn\n0.844799 0.155201 0.250000 Zn\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
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"density": 9.205997797122514,
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{
"id": "jvasp-39555",
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"structure_string": "Zn1 Hg3\n1.0\n-2.136321 2.136321 5.402962\n2.136321 -2.136321 5.402962\n2.136321 2.136321 -5.402962\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250001 0.500000 Hg\n0.250001 0.750000 0.500000 Hg\n0.499999 0.499999 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Zn",
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"volume": 98.63360886601902,
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"spacegroup": 139
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{
"id": "jvasp-78986",
"created_at": "2022-09-04T14:37:11.917010Z",
"updated_at": "2022-09-04T14:37:11.917029Z",
"structure_string": "Zn1 Hg3\n1.0\n0.000000 3.679783 3.679783\n3.679783 0.000000 3.679783\n3.679783 3.679783 0.000000\nZn Hg\n1 3\ndirect\n0.749999 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
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"elements": [
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"volume": 99.65443283490468,
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"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-79359",
"created_at": "2022-09-04T14:36:50.759210Z",
"updated_at": "2022-09-04T14:36:50.759236Z",
"structure_string": "Zn1 Hg3\n1.0\n4.598264 0.000000 0.000000\n-0.000000 4.598263 -0.000000\n-0.000000 -0.000000 4.598264\nZn Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.499998 0.499998 Hg\n0.499998 0.999998 0.499998 Hg\n0.499998 0.499999 -0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 11.394882588696822,
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"volume": 97.22581915974123,
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"formula_full": "Zn1 Hg3",
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"spacegroup": 221
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{
"id": "jvasp-29649",
"created_at": "2022-09-04T14:38:13.343116Z",
"updated_at": "2022-09-04T14:38:13.343143Z",
"structure_string": "Zn1 I2\n1.0\n3.893923 -0.013005 6.053153\n1.769095 3.468878 6.053153\n-0.021310 -0.013005 7.197419\nZn I\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.746925 0.746930 0.746927 I\n0.253072 0.253074 0.253072 I\n",
"nsites": 3,
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"elements": [
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"I"
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"chemical_system": "I-Zn",
"density": 5.408836868658385,
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"volume": 98.0014507742133,
"volume_molar": 19.67261770821745,
"formula_full": "Zn1 I2",
"formula_reduced": "ZnI2",
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"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-54925",
"created_at": "2022-09-04T14:38:33.195829Z",
"updated_at": "2022-09-04T14:38:33.195853Z",
"structure_string": "Zn2 I4\n1.0\n5.590322 -0.000000 0.000000\n-2.795162 4.841361 -0.000000\n0.000000 0.000000 8.194260\nZn I\n2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n0.333333 0.666667 0.750000 I\n0.666667 0.333333 0.250000 I\n",
"nsites": 6,
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"elements": [
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"I"
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"density": 4.780269181593755,
"density_atomic": 0.027054357181989133,
"volume": 221.77573688553107,
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"formula_full": "Zn2 I4",
"formula_reduced": "ZnI2",
"formula_anonymous": "AB2",
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"spacegroup": 191
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{
"id": "jvasp-100262",
"created_at": "2022-09-04T14:36:31.677931Z",
"updated_at": "2022-09-04T14:36:31.677941Z",
"structure_string": "Zn1 In3\n1.0\n4.528189 0.000000 2.614351\n1.509397 4.269217 2.614351\n0.000000 0.000000 5.228702\nZn In\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 In\n0.750001 0.750000 0.749999 In\n0.500000 0.500000 0.499999 In\n",
"nsites": 4,
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"elements": [
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"volume": 101.08033352115551,
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"formula_full": "Zn1 In3",
"formula_reduced": "ZnIn3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-109096",
"created_at": "2022-09-04T14:38:46.204337Z",
"updated_at": "2022-09-04T14:38:46.204361Z",
"structure_string": "Zn6 In2\n1.0\n7.219524 0.011275 0.000000\n-5.271985 4.932325 0.000000\n-0.000000 0.000000 4.242928\nZn In\n6 2\ndirect\n0.877224 0.122777 0.750000 Zn\n0.324158 0.195379 0.750000 Zn\n0.804621 0.675842 0.750000 Zn\n0.122777 0.877223 0.250000 Zn\n0.675842 0.804621 0.250000 Zn\n0.195379 0.324158 0.250000 Zn\n0.708637 0.291364 0.250000 In\n0.291363 0.708636 0.750000 In\n",
"nsites": 8,
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"elements": [
"Zn",
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"chemical_system": "In-Zn",
"density": 6.825776265586439,
"density_atomic": 0.05286152869434836,
"volume": 151.33879396974973,
"volume_molar": 11.3922939966809,
"formula_full": "Zn6 In2",
"formula_reduced": "Zn3In",
"formula_anonymous": "AB3",
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"spacegroup": 63
},
{
"id": "jvasp-78991",
"created_at": "2022-09-04T14:37:12.056142Z",
"updated_at": "2022-09-04T14:37:12.056171Z",
"structure_string": "Zn1 In3\n1.0\n-2.317403 2.317403 4.632775\n2.317403 -2.317403 4.632775\n2.317403 2.317403 -4.632775\nZn In\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.749999 0.250000 0.499999 In\n0.250000 0.749999 0.499999 In\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"volume": 99.51861638382962,
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},
{
"id": "jvasp-79369",
"created_at": "2022-09-04T14:36:39.994583Z",
"updated_at": "2022-09-04T14:36:39.994597Z",
"structure_string": "Zn3 In1\n1.0\n-2.095050 2.095050 4.181072\n2.095050 -2.095050 4.181072\n2.095050 2.095050 -4.181072\nZn In\n3 1\ndirect\n0.750001 0.250001 0.500000 Zn\n0.250001 0.750001 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 In\n",
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"volume": 73.40682191934673,
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{
"id": "jvasp-41506",
"created_at": "2022-09-04T14:37:50.802158Z",
"updated_at": "2022-09-04T14:37:50.802177Z",
"structure_string": "Zn3 Ir1\n1.0\n-1.864384 1.864384 4.071942\n1.864384 -1.864384 4.071942\n1.864384 1.864384 -4.071942\nZn Ir\n3 1\ndirect\n0.749998 0.250000 0.499998 Zn\n0.250000 0.749998 0.499998 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"volume": 56.61510395351306,
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}