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{
"id": "jvasp-117779",
"created_at": "2022-09-04T14:38:47.878966Z",
"updated_at": "2022-09-04T14:38:47.878994Z",
"structure_string": "Cd1 Se1 Br2\n1.0\n4.010707 -0.000000 0.000000\n0.000000 4.010707 0.000000\n0.000000 0.000000 7.458761\nCd Se Br\n1 1 2\ndirect\n0.500001 0.500001 0.429599 Cd\n-0.000000 -0.000000 0.018656 Se\n-0.000000 -0.000000 0.515930 Br\n0.500001 0.500001 0.045816 Br\n",
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{
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"created_at": "2022-09-04T14:38:55.032890Z",
"updated_at": "2022-09-04T14:38:55.032920Z",
"structure_string": "Cd1 Se2\n1.0\n2.348027 -3.708797 -0.775432\n2.037901 3.529746 -0.000000\n-0.922855 0.532810 5.345610\nCd Se\n1 2\ndirect\n-0.000000 0.333364 0.166667 Cd\n0.789798 0.728218 0.434269 Se\n0.210204 -0.061579 0.899065 Se\n",
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"formula_full": "Cd1 Se2",
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{
"id": "jvasp-36617",
"created_at": "2022-09-04T14:37:28.220721Z",
"updated_at": "2022-09-04T14:37:28.220748Z",
"structure_string": "Cd1 Si1 O3\n1.0\n3.614654 -0.000000 0.000000\n-0.000000 3.614654 -0.000000\n0.000000 0.000000 3.614654\nCd Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 Si\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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"elements": [
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],
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"density": 6.627474172736721,
"density_atomic": 0.10586924291578938,
"volume": 47.22806985572859,
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"formula_full": "Cd1 Si1 O3",
"formula_reduced": "CdSiO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-115846",
"created_at": "2022-09-04T14:38:40.108809Z",
"updated_at": "2022-09-04T14:38:40.108835Z",
"structure_string": "Cd1 Si1 P1\n1.0\n2.691882 0.000000 -0.000000\n-0.000000 2.691882 0.000000\n-0.000000 -0.000000 8.279436\nCd Si P\n1 1 1\ndirect\n0.000000 0.000000 0.358179 Cd\n0.000000 0.000000 -0.008788 Si\n0.000000 0.000000 0.713231 P\n",
"nsites": 3,
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"density": 4.745971420107056,
"density_atomic": 0.050004428076336774,
"volume": 59.99468677894284,
"volume_molar": 12.043214954496825,
"formula_full": "Cd1 Si1 P1",
"formula_reduced": "CdSiP",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-36180",
"created_at": "2022-09-04T14:37:14.551066Z",
"updated_at": "2022-09-04T14:37:14.551085Z",
"structure_string": "Cd1 Si1 P2\n1.0\n3.299824 3.299824 0.000000\n3.299824 0.000000 -3.299824\n-0.000000 3.299824 -3.299824\nCd Si P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 P\n0.749999 0.749999 0.749999 P\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-P-Si",
"density": 4.677908603711479,
"density_atomic": 0.05566185363654082,
"volume": 71.86250077331391,
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"formula_full": "Cd1 Si1 P2",
"formula_reduced": "CdSiP2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-115848",
"created_at": "2022-09-04T14:38:40.107163Z",
"updated_at": "2022-09-04T14:38:40.107180Z",
"structure_string": "Cd1 Si2 P3\n1.0\n-2.107728 5.674138 2.598153\n2.107728 -5.674138 2.598153\n2.107728 5.674138 -2.598153\nCd Si P\n1 2 3\ndirect\n0.237091 0.737090 0.499999 Cd\n0.563244 0.735483 0.827760 Si\n0.907722 0.735482 0.172240 Si\n-0.041590 -0.041590 -0.000000 P\n0.356157 0.038464 0.317691 P\n0.720774 0.038464 0.682307 P\n",
"nsites": 6,
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"elements": [
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],
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"density": 3.4937117900994985,
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"volume": 124.29085412191543,
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"formula_full": "Cd1 Si2 P3",
"formula_reduced": "CdSi2P3",
"formula_anonymous": "AB2C3",
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"spacegroup": 44
},
{
"id": "jvasp-100156",
"created_at": "2022-09-04T14:36:38.632573Z",
"updated_at": "2022-09-04T14:36:38.632600Z",
"structure_string": "Cd1 Sn1\n1.0\n3.340388 0.000000 -0.000000\n-1.670193 2.892860 0.000000\n0.000000 0.000000 5.392324\nCd Sn\n1 1\ndirect\n0.333334 0.666667 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.365261909032762,
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"volume": 52.10750878267938,
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"formula_full": "Cd1 Sn1",
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},
{
"id": "jvasp-102223",
"created_at": "2022-09-04T14:36:38.501331Z",
"updated_at": "2022-09-04T14:36:38.501357Z",
"structure_string": "Cd1 Sn1 As2\n1.0\n3.880134 0.002892 5.897172\n1.768219 3.453816 5.897172\n0.004726 0.002892 7.059182\nCd Sn As\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Sn\n0.250054 0.250054 0.250054 As\n0.749946 0.749946 0.749945 As\n",
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"volume": 94.43370238811124,
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"formula_full": "Cd1 Sn1 As2",
"formula_reduced": "CdSnAs2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-111093",
"created_at": "2022-09-04T14:38:38.167552Z",
"updated_at": "2022-09-04T14:38:38.167566Z",
"structure_string": "Cd1 Sn1 As2\n1.0\n4.337258 0.000000 0.000000\n0.000000 4.337258 0.000000\n0.000000 0.000000 6.242382\nCd Sn As\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n-0.000000 0.500000 0.246211 As\n0.500000 0.000000 0.753789 As\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.387067389626974,
"density_atomic": 0.03406270522547846,
"volume": 117.43048514561468,
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"formula_full": "Cd1 Sn1 As2",
"formula_reduced": "CdSnAs2",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-111092",
"created_at": "2022-09-04T14:38:48.369250Z",
"updated_at": "2022-09-04T14:38:48.369277Z",
"structure_string": "Cd1 Sn1 Au1\n1.0\n4.067702 -0.000000 2.348489\n1.355901 3.835066 2.348489\n-0.000000 -0.000000 4.696978\nCd Sn Au\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.749999 0.750001 0.750001 Sn\n0.000000 0.000000 0.000000 Au\n",
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],
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"volume": 73.27241358532135,
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"formula_full": "Cd1 Sn1 Au1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-103114",
"created_at": "2022-09-04T14:36:43.409369Z",
"updated_at": "2022-09-04T14:36:43.409389Z",
"structure_string": "Cd1 Sn1 Au1\n1.0\n4.110177 0.000000 2.373011\n1.370059 3.875112 2.373011\n0.000000 0.000000 4.746023\nCd Sn Au\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Sn\n0.750001 0.750000 0.749999 Au\n",
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{
"id": "jvasp-7787",
"created_at": "2022-09-04T14:37:04.253561Z",
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"structure_string": "Cd1 Sn1 F6\n1.0\n4.764534 0.097504 3.404256\n1.804158 4.410821 3.404249\n0.142070 0.097515 5.854020\nCd Sn F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Cd\n0.000000 0.000000 0.000000 Sn\n0.232216 0.923806 0.610647 F\n0.923807 0.610646 0.232216 F\n0.389353 0.767785 0.076193 F\n0.076193 0.389352 0.767785 F\n0.767785 0.076191 0.389354 F\n0.610647 0.232213 0.923809 F\n",
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