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{
"id": "jvasp-108617",
"created_at": "2022-09-04T14:38:20.408722Z",
"updated_at": "2022-09-04T14:38:20.408753Z",
"structure_string": "Cd3 Ga1\n1.0\n3.987658 -0.153907 -3.722762\n-0.856653 3.897595 -3.722762\n0.128719 0.153907 5.453788\nCd Ga\n3 1\ndirect\n0.750001 0.250000 0.500001 Cd\n0.250001 0.750001 0.500002 Cd\n0.500001 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "jvasp-111379",
"created_at": "2022-09-04T14:38:26.256947Z",
"updated_at": "2022-09-04T14:38:26.256969Z",
"structure_string": "Cd3 Hg1\n1.0\n3.112140 -0.000000 0.000000\n-1.556070 2.695192 0.000000\n-0.000000 -0.000000 11.212629\nCd Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666666 0.753258 Cd\n0.333333 0.666666 0.246742 Cd\n0.000000 0.000000 0.500000 Hg\n",
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{
"id": "jvasp-29530",
"created_at": "2022-09-04T14:38:03.481798Z",
"updated_at": "2022-09-04T14:38:03.481825Z",
"structure_string": "Cd3 I6\n1.0\n4.284671 0.000000 0.000000\n-2.142336 3.710634 -0.000000\n0.000000 -0.000000 20.667333\nCd I\n3 6\ndirect\n0.666666 0.333333 0.333015 Cd\n0.333332 0.666666 0.666984 Cd\n0.000000 0.000000 0.000000 Cd\n0.333332 0.666666 0.083944 I\n0.333332 0.666666 0.416923 I\n0.666666 0.333333 0.916056 I\n0.666666 0.333333 0.583077 I\n-0.000000 0.000000 0.249109 I\n-0.000000 0.000000 0.750891 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-I",
"density": 5.552164213767456,
"density_atomic": 0.02739002777633879,
"volume": 328.586742353535,
"volume_molar": 21.98661793692046,
"formula_full": "Cd3 I6",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002366666666666,
"spacegroup": 164
},
{
"id": "jvasp-29625",
"created_at": "2022-09-04T14:38:02.957016Z",
"updated_at": "2022-09-04T14:38:02.957035Z",
"structure_string": "Cd3 I6\n1.0\n4.285524 -0.000000 -0.000000\n-2.142762 3.711373 0.000000\n0.000000 -0.000000 20.624670\nCd I\n3 6\ndirect\n0.666666 0.333333 0.083316 Cd\n0.000000 0.000000 0.416694 Cd\n0.000000 0.000000 0.749913 Cd\n0.666666 0.333333 0.665875 I\n0.333333 0.666666 0.834045 I\n0.333333 0.666666 0.167442 I\n0.666666 0.333333 0.332642 I\n0.000000 0.000000 -0.000713 I\n0.333333 0.666666 0.500786 I\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Cd-I",
"density": 5.561434098455728,
"density_atomic": 0.027435758123878877,
"volume": 328.0390488705612,
"volume_molar": 21.949970300833765,
"formula_full": "Cd3 I6",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.666666666668483e-05,
"spacegroup": 156
},
{
"id": "jvasp-16801",
"created_at": "2022-09-04T14:38:31.799735Z",
"updated_at": "2022-09-04T14:38:31.799749Z",
"structure_string": "Cd3 In1\n1.0\n4.580242 0.000000 0.000000\n0.000000 4.580242 0.000000\n0.000000 -0.000000 4.580242\nCd In\n3 1\ndirect\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"In"
],
"chemical_system": "Cd-In",
"density": 7.812162299146595,
"density_atomic": 0.041628879061596236,
"volume": 96.08714167108353,
"volume_molar": 14.466257309233166,
"formula_full": "Cd3 In1",
"formula_reduced": "Cd3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-117388",
"created_at": "2022-09-04T14:38:27.174393Z",
"updated_at": "2022-09-04T14:38:27.174420Z",
"structure_string": "Cd3 In2 Se6\n1.0\n6.599060 0.023593 4.767432\n2.450042 6.127433 4.767432\n0.034710 0.023593 8.140934\nCd In Se\n3 2 6\ndirect\n0.163587 0.470578 0.861805 Cd\n0.470578 0.861804 0.163587 Cd\n0.861806 0.163586 0.470578 Cd\n0.667431 0.667429 0.667430 In\n-0.000378 -0.000378 -0.000378 In\n0.059204 0.369030 0.682947 Se\n0.369031 0.682947 0.059204 Se\n0.682948 0.059204 0.369031 Se\n0.872589 0.872587 0.872588 Se\n0.228061 0.228061 0.228061 Se\n0.540132 0.540130 0.540131 Se\n",
"nsites": 11,
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"elements": [
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],
"chemical_system": "Cd-In-Se",
"density": 5.280643821468925,
"density_atomic": 0.033615110138223936,
"volume": 327.2337932188369,
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"formula_full": "Cd3 In2 Se6",
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"formula_anonymous": "A2B3C6",
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"spacegroup": 146
},
{
"id": "jvasp-107648",
"created_at": "2022-09-04T14:36:58.602045Z",
"updated_at": "2022-09-04T14:36:58.602066Z",
"structure_string": "Cd3 Ir1\n1.0\n3.784392 -0.028055 -3.635603\n-0.705941 3.718071 -3.635603\n0.023405 0.028055 5.247731\nCd Ir\n3 1\ndirect\n0.750000 0.250000 0.500001 Cd\n0.250001 0.749999 0.500000 Cd\n0.500000 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.05368280535988136,
"volume": 74.51175424206333,
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"formula_full": "Cd3 Ir1",
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"spacegroup": 139
},
{
"id": "jvasp-105134",
"created_at": "2022-09-04T14:36:54.734460Z",
"updated_at": "2022-09-04T14:36:54.734484Z",
"structure_string": "Cd3 Ir1\n1.0\n4.205430 -0.000000 0.000000\n0.000000 4.205430 0.000000\n-0.000000 -0.000000 4.205430\nCd Ir\n3 1\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 11.820689908975808,
"density_atomic": 0.05378098671207042,
"volume": 74.375727269843,
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"formula_full": "Cd3 Ir1",
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"spacegroup": 221
},
{
"id": "jvasp-105133",
"created_at": "2022-09-04T14:36:53.984072Z",
"updated_at": "2022-09-04T14:36:53.984097Z",
"structure_string": "Cd3 Ni1\n1.0\n4.168115 0.000000 0.000000\n0.000000 4.168115 0.000000\n0.000000 0.000000 4.168115\nCd Ni\n3 1\ndirect\n-0.000000 0.500001 0.500001 Cd\n0.500001 0.000000 0.500001 Cd\n0.500001 0.500001 -0.000000 Cd\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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"density": 9.079135131472652,
"density_atomic": 0.055238377395075665,
"volume": 72.41342321464693,
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"formula_full": "Cd3 Ni1",
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},
{
"id": "jvasp-110764",
"created_at": "2022-09-04T14:38:39.304350Z",
"updated_at": "2022-09-04T14:38:39.304377Z",
"structure_string": "Cd3 P1\n1.0\n4.392367 -0.000000 0.000000\n0.000000 4.392367 0.000000\n0.000000 -0.000000 4.392367\nCd P\n3 1\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.215143903041871,
"density_atomic": 0.047202405481939026,
"volume": 84.74144398277569,
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},
{
"id": "jvasp-110273",
"created_at": "2022-09-04T14:37:54.984424Z",
"updated_at": "2022-09-04T14:37:54.984444Z",
"structure_string": "Cd3 P1 I3\n1.0\n4.482305 -0.000000 0.000000\n0.000000 7.369227 0.104456\n0.000000 -0.024778 7.712036\nCd P I\n3 1 3\ndirect\n-0.000000 0.467243 0.695713 Cd\n0.499999 0.503078 0.114198 Cd\n0.499999 0.040150 0.860317 Cd\n0.499999 0.377458 0.815110 P\n-0.000000 0.875586 0.662288 I\n0.499999 0.876997 0.196645 I\n-0.000000 0.351491 0.322397 I\n",
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"volume": 254.74881106424382,
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"formula_reduced": "Cd3PI3",
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"spacegroup": 6
},
{
"id": "jvasp-102466",
"created_at": "2022-09-04T14:36:52.941603Z",
"updated_at": "2022-09-04T14:36:52.941634Z",
"structure_string": "Cd3 Pd1\n1.0\n4.244278 0.000000 0.000000\n0.000000 4.244278 0.000000\n-0.000000 0.000000 4.244278\nCd Pd\n3 1\ndirect\n-0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 Pd\n",
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]
}