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{
"id": "jvasp-109776",
"created_at": "2022-09-04T14:38:20.439565Z",
"updated_at": "2022-09-04T14:38:20.439592Z",
"structure_string": "Cd1 Ag1\n1.0\n3.043812 0.507794 0.000000\n-0.544641 3.037435 0.000000\n0.000000 0.000000 4.031926\nCd Ag\n1 1\ndirect\n0.500000 0.499999 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
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{
"id": "jvasp-37832",
"created_at": "2022-09-04T14:37:59.425773Z",
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"structure_string": "Cd1 Ag2 Au1\n1.0\n0.000000 3.324963 3.324963\n3.324963 0.000000 3.324963\n3.324963 3.324963 -0.000000\nCd Ag Au\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "jvasp-109779",
"created_at": "2022-09-04T14:38:27.867982Z",
"updated_at": "2022-09-04T14:38:27.868010Z",
"structure_string": "Cd1 Ag2 Sn1 S4\n1.0\n4.075417 0.000000 0.000000\n0.000000 6.823322 0.045204\n0.000000 0.032710 7.251589\nCd Ag Sn S\n1 2 1 4\ndirect\n-0.000000 0.110470 0.173996 Cd\n0.500000 0.135978 0.669687 Ag\n0.500000 0.647648 0.311895 Ag\n-0.000000 0.635238 0.843079 Sn\n0.500000 0.510375 0.665034 S\n-0.000000 0.495155 0.151433 S\n0.500000 0.010118 0.347591 S\n-0.000000 0.990215 0.837282 S\n",
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"elements": [
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"density": 4.736063124392823,
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"volume": 201.64530866633098,
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"formula_full": "Cd1 Ag2 Sn1 S4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 6
},
{
"id": "jvasp-103115",
"created_at": "2022-09-04T14:36:45.458534Z",
"updated_at": "2022-09-04T14:36:45.458569Z",
"structure_string": "Cd1 Ag2 Sn1 Se4\n1.0\n4.291149 0.000000 0.000000\n0.000000 7.098830 -0.028998\n0.000000 -0.034872 7.521500\nCd Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.107648 0.825184 Cd\n0.500000 0.131278 0.325699 Ag\n0.500000 0.646881 0.692032 Ag\n0.000000 0.631370 0.158730 Sn\n0.500000 0.505344 0.341571 Se\n0.000000 0.494033 0.841074 Se\n0.500000 0.009420 0.651542 Se\n0.000000 0.994427 0.164165 Se\n",
"nsites": 8,
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],
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"density": 5.527703730458633,
"density_atomic": 0.034916715285409725,
"volume": 229.11662608031386,
"volume_molar": 17.247157158899217,
"formula_full": "Cd1 Ag2 Sn1 Se4",
"formula_reduced": "CdAg2SnSe4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 6
},
{
"id": "jvasp-106234",
"created_at": "2022-09-04T14:36:41.659494Z",
"updated_at": "2022-09-04T14:36:41.659513Z",
"structure_string": "Cd1 Ag3\n1.0\n3.796999 -0.037386 -3.428673\n-0.774393 3.717380 -3.428673\n0.030708 0.037386 5.115863\nCd Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.250000 0.500001 Ag\n0.250001 0.750000 0.500001 Ag\n0.500000 0.499999 0.000001 Ag\n",
"nsites": 4,
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"elements": [
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"density": 9.912251700006294,
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"volume": 73.04303395025563,
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"formula_full": "Cd1 Ag3",
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"spacegroup": 139
},
{
"id": "jvasp-111256",
"created_at": "2022-09-04T14:38:48.688517Z",
"updated_at": "2022-09-04T14:38:48.688544Z",
"structure_string": "Cd1 Ag3\n1.0\n4.185893 -0.000000 0.000000\n0.000000 4.185893 0.000000\n0.000000 -0.000000 4.185893\nCd Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n-0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 9.871581998993937,
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"formula_full": "Cd1 Ag3",
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"spacegroup": 221
},
{
"id": "jvasp-39834",
"created_at": "2022-09-04T14:37:34.722260Z",
"updated_at": "2022-09-04T14:37:34.722287Z",
"structure_string": "Cd2 Ag6\n1.0\n2.952490 -5.113863 0.000000\n2.952490 5.113863 -0.000000\n0.000000 0.000000 4.841673\nCd Ag\n2 6\ndirect\n0.666667 0.333333 0.750000 Cd\n0.333333 0.666667 0.250000 Cd\n0.834792 0.165208 0.250000 Ag\n0.834793 0.669586 0.250000 Ag\n0.330414 0.165208 0.250000 Ag\n0.165208 0.834792 0.750000 Ag\n0.165208 0.330414 0.750000 Ag\n0.669586 0.834793 0.750000 Ag\n",
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"formula_full": "Cd2 Ag6",
"formula_reduced": "CdAg3",
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"spacegroup": 194
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{
"id": "jvasp-81864",
"created_at": "2022-09-04T14:37:12.418474Z",
"updated_at": "2022-09-04T14:37:12.418496Z",
"structure_string": "Cd1 Ag1 Au2\n1.0\n-8.732981 -1.698913 -7.816301\n-3.798813 -0.892319 -6.790659\n-4.705328 -3.456332 -5.220527\nCd Ag Au\n1 1 2\ndirect\n0.500000 0.000000 -0.000001 Cd\n0.000000 0.000000 0.000000 Ag\n0.746487 0.002961 0.002960 Au\n0.253513 -0.002960 -0.002961 Au\n",
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"formula_full": "Cd1 Ag1 Au2",
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"spacegroup": 12
},
{
"id": "jvasp-35528",
"created_at": "2022-09-04T14:37:45.977682Z",
"updated_at": "2022-09-04T14:37:45.977694Z",
"structure_string": "Cd1 Ag2 I4\n1.0\n6.412628 0.000000 0.000000\n-0.000000 6.412628 -0.000000\n-3.206314 -3.206314 6.335271\nCd Ag I\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750001 0.500000 Ag\n0.750001 0.250000 0.500000 Ag\n0.383659 0.383659 0.231242 I\n0.847583 0.847583 0.231242 I\n0.152417 0.616342 0.768758 I\n0.616342 0.152417 0.768758 I\n",
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"density": 5.327164793551711,
"density_atomic": 0.02686957201033747,
"volume": 260.51773349076444,
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"formula_full": "Cd1 Ag2 I4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 121
},
{
"id": "jvasp-36758",
"created_at": "2022-09-04T14:38:05.191031Z",
"updated_at": "2022-09-04T14:38:05.191058Z",
"structure_string": "Cd2 Ag2 O4\n1.0\n3.443513 0.000000 -0.000000\n0.000000 4.513540 0.000000\n0.000000 0.000000 6.839225\nCd Ag O\n2 2 4\ndirect\n0.513268 0.500000 0.250000 Cd\n0.486731 0.500000 0.750001 Cd\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.634796 0.000000 0.750001 O\n0.365203 0.000000 0.250000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Cd2 Ag2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 51
},
{
"id": "jvasp-36757",
"created_at": "2022-09-04T14:38:09.975354Z",
"updated_at": "2022-09-04T14:38:09.975377Z",
"structure_string": "Cd2 Ag2 O4\n1.0\n-1.752786 2.927650 -0.069564\n-4.617039 -2.932239 -1.734088\n0.005487 0.012810 5.737764\nCd Ag O\n2 2 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ag\n-0.000000 0.500000 0.499999 Ag\n-0.000000 0.226637 0.773362 O\n0.632934 0.748487 0.748486 O\n-0.000000 0.773363 0.226637 O\n0.367066 0.251514 0.251514 O\n",
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"formula_full": "Cd2 Ag2 O4",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-50155",
"created_at": "2022-09-04T14:37:13.565651Z",
"updated_at": "2022-09-04T14:37:13.565679Z",
"structure_string": "Cd2 Ag4 O8\n1.0\n-6.892728 0.000000 0.000000\n-3.446364 0.000000 6.303271\n3.446364 4.839070 0.000000\nCd Ag O\n2 4 8\ndirect\n0.875000 0.250000 0.250000 Cd\n0.125000 0.750000 0.750000 Cd\n0.496125 0.007752 0.250000 Ag\n0.746125 0.507752 0.750000 Ag\n0.253875 0.492248 0.250000 Ag\n0.503876 0.992248 0.750000 Ag\n0.917768 0.505573 0.163845 O\n0.740505 0.005573 0.663845 O\n0.746076 0.994427 0.163845 O\n0.576660 0.505573 0.336155 O\n0.253925 0.005573 0.836155 O\n0.423340 0.494427 0.663845 O\n0.259496 0.994427 0.336155 O\n0.082232 0.494427 0.836155 O\n",
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