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{
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"results": [
{
"id": "jvasp-58863",
"created_at": "2022-09-04T14:38:20.248031Z",
"updated_at": "2022-09-04T14:38:20.248056Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075466 0.035365\n6.435453 0.000000 0.000000\n0.000000 -0.594877 -12.841670\nAl Cd Cl\n4 2 16\ndirect\n0.438621 0.940254 0.455660 Al\n0.849936 0.432924 0.759444 Al\n0.849936 0.567076 0.259444 Al\n0.438621 0.059745 0.955660 Al\n0.999638 0.752444 0.501144 Cd\n0.999639 0.247556 0.001144 Cd\n0.592078 0.557340 0.171427 Cl\n0.592078 0.442660 0.671427 Cl\n0.946998 0.881604 0.298487 Cl\n0.946998 0.118396 0.798487 Cl\n0.216749 0.918159 0.046497 Cl\n0.216749 0.081841 0.546497 Cl\n0.836432 0.576087 0.914669 Cl\n0.697474 0.951183 0.557550 Cl\n0.697474 0.048816 0.057550 Cl\n0.083561 0.588100 0.685223 Cl\n0.343025 0.381599 0.939682 Cl\n0.343026 0.618400 0.439682 Cl\n0.464088 0.087197 0.311212 Cl\n0.464088 0.912802 0.811212 Cl\n0.836432 0.423913 0.414669 Cl\n0.083562 0.411900 0.185223 Cl\n",
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"formula_full": "Al4 Cd2 Cl16",
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"formula_anonymous": "AB2C8",
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"spacegroup": 7
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{
"id": "jvasp-13379",
"created_at": "2022-09-04T14:38:09.007541Z",
"updated_at": "2022-09-04T14:38:09.007576Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075443 0.035339\n6.435455 0.000000 0.000000\n0.000000 -0.594808 -12.841765\nAl Cd Cl\n4 2 16\ndirect\n0.438614 0.940249 0.455681 Al\n0.849948 0.432844 0.759425 Al\n0.849948 0.567157 0.259425 Al\n0.438614 0.059752 0.955681 Al\n0.999644 0.752336 0.501152 Cd\n0.999644 0.247665 0.001152 Cd\n0.592120 0.557416 0.171388 Cl\n0.592120 0.442585 0.671388 Cl\n0.946946 0.881681 0.298510 Cl\n0.946946 0.118320 0.798510 Cl\n0.216731 0.918300 0.046574 Cl\n0.216731 0.081701 0.546574 Cl\n0.836443 0.576113 0.914618 Cl\n0.697480 0.951104 0.557566 Cl\n0.697480 0.048896 0.057566 Cl\n0.083612 0.587897 0.685187 Cl\n0.343024 0.381606 0.939630 Cl\n0.343024 0.618395 0.439630 Cl\n0.464033 0.087328 0.311264 Cl\n0.464033 0.912673 0.811263 Cl\n0.836444 0.423888 0.414618 Cl\n0.083612 0.412104 0.185188 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.556422435346436,
"density_atomic": 0.03763271486329434,
"volume": 584.5977384283281,
"volume_molar": 16.002408494513876,
"formula_full": "Al4 Cd2 Cl16",
"formula_reduced": "Al2CdCl8",
"formula_anonymous": "AB2C8",
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"spacegroup": 7
},
{
"id": "jvasp-111243",
"created_at": "2022-09-04T14:38:46.224302Z",
"updated_at": "2022-09-04T14:38:46.224324Z",
"structure_string": "Al1 Cd1 Cu3 Se4\n1.0\n5.860010 0.000000 0.000000\n0.000000 5.860010 0.000000\n-0.000000 -0.000000 5.860010\nAl Cd Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.238422 0.238422 0.238422 Se\n0.761578 0.761578 0.238422 Se\n0.238422 0.761578 0.761578 Se\n0.761578 0.238422 0.761578 Se\n",
"nsites": 9,
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"elements": [
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"Cu",
"Se"
],
"chemical_system": "Al-Cd-Cu-Se",
"density": 5.329659952736813,
"density_atomic": 0.044724700196236734,
"volume": 201.23108618975797,
"volume_molar": 13.464910292471274,
"formula_full": "Al1 Cd1 Cu3 Se4",
"formula_reduced": "AlCdCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.5031908185185182,
"spacegroup": 215
},
{
"id": "jvasp-106243",
"created_at": "2022-09-04T14:38:39.929510Z",
"updated_at": "2022-09-04T14:38:39.929526Z",
"structure_string": "Er2 Al1 Cd1\n1.0\n4.445900 0.000000 2.566841\n1.481966 4.191634 2.566841\n0.000000 0.000000 5.133682\nEr Al Cd\n2 1 1\ndirect\n0.750001 0.749999 0.749999 Er\n0.250000 0.250000 0.250000 Er\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Cd-Er",
"density": 8.22571117194844,
"density_atomic": 0.04181075246145352,
"volume": 95.6691703572594,
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"formula_full": "Er2 Al1 Cd1",
"formula_reduced": "Er2AlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5347281375,
"spacegroup": 225
},
{
"id": "jvasp-106248",
"created_at": "2022-09-04T14:38:39.712958Z",
"updated_at": "2022-09-04T14:38:39.712978Z",
"structure_string": "Ho2 Al1 Cd1\n1.0\n4.465447 -0.000000 2.578127\n1.488482 4.210063 2.578127\n-0.000000 -0.000000 5.156253\nHo Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.749999 0.750000 Ho\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Cd-Ho",
"density": 8.038380653334269,
"density_atomic": 0.041264086852213035,
"volume": 96.936593176676,
"volume_molar": 14.59414522261996,
"formula_full": "Ho2 Al1 Cd1",
"formula_reduced": "Ho2AlCd",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-116548",
"created_at": "2022-09-04T14:38:42.144320Z",
"updated_at": "2022-09-04T14:38:42.144349Z",
"structure_string": "La6 Al2 Cd2 S14\n1.0\n10.240509 -0.000000 0.000000\n-5.120254 8.868541 0.000000\n-0.000000 -0.000000 6.173018\nLa Al Cd S\n6 2 2 14\ndirect\n0.236159 0.376791 0.269630 La\n0.623209 0.859368 0.269630 La\n0.140632 0.763841 0.269630 La\n0.763841 0.623209 0.769630 La\n0.376791 0.140632 0.769630 La\n0.859368 0.236159 0.769630 La\n0.333334 0.666667 0.848866 Al\n0.666667 0.333333 0.348866 Al\n0.000000 0.000000 0.496328 Cd\n0.000000 0.000000 -0.003673 Cd\n0.580542 0.101358 0.496686 S\n0.520816 0.419458 0.496686 S\n0.898642 0.479184 0.496686 S\n0.419458 0.898642 0.996686 S\n0.479184 0.580542 0.996686 S\n0.101358 0.520816 0.996686 S\n0.747287 0.903475 0.729297 S\n0.252714 0.096525 0.229297 S\n0.843812 0.747286 0.229297 S\n0.096525 0.843812 0.729297 S\n0.333334 0.666667 0.485986 S\n0.156188 0.252714 0.729297 S\n0.903475 0.156188 0.229297 S\n0.666667 0.333333 0.985987 S\n",
"nsites": 24,
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"elements": [
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"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-La-S",
"density": 4.623983939601617,
"density_atomic": 0.04280948237360091,
"volume": 560.6234569843795,
"volume_molar": 14.06730571382391,
"formula_full": "La6 Al2 Cd2 S14",
"formula_reduced": "La3AlCdS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.744325629166667,
"spacegroup": 173
},
{
"id": "jvasp-94746",
"created_at": "2022-09-04T14:36:11.138551Z",
"updated_at": "2022-09-04T14:36:11.138564Z",
"structure_string": "Mg6 Al1 Cd1\n1.0\n6.239797 -0.022038 0.000000\n-3.138983 5.392803 0.000000\n0.000000 0.000000 5.151614\nMg Al Cd\n6 1 1\ndirect\n0.163858 0.838572 0.250000 Mg\n0.661428 0.336142 0.250000 Mg\n0.665575 0.834424 0.250000 Mg\n0.334747 0.658387 0.749999 Mg\n0.841613 0.165252 0.749999 Mg\n0.834057 0.665943 0.749999 Mg\n0.158443 0.341557 0.250000 Al\n0.340281 0.159719 0.749999 Cd\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.7377786903018775,
"density_atomic": 0.04624399945207979,
"volume": 172.99541767121542,
"volume_molar": 13.022534450638133,
"formula_full": "Mg6 Al1 Cd1",
"formula_reduced": "Mg6AlCd",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-13341",
"created_at": "2022-09-04T14:36:56.593402Z",
"updated_at": "2022-09-04T14:36:56.593421Z",
"structure_string": "Al4 Cd2 O8\n1.0\n5.976278 -0.000000 -0.000000\n2.988139 5.175608 0.000000\n2.988139 1.725202 4.879609\nAl Cd O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.395350 0.395350 0.395350 O\n0.395350 0.395350 0.813951 O\n0.395350 0.813951 0.395350 O\n0.813952 0.395350 0.395350 O\n0.436049 0.854650 0.854650 O\n0.854651 0.436048 0.854650 O\n0.854651 0.854650 0.436049 O\n0.854651 0.854650 0.854650 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Al-Cd-O",
"density": 5.069101492771324,
"density_atomic": 0.09275788659631778,
"volume": 150.93056249683636,
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"formula_full": "Al4 Cd2 O8",
"formula_reduced": "Al2CdO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-116103",
"created_at": "2022-09-04T14:38:41.777876Z",
"updated_at": "2022-09-04T14:38:41.777913Z",
"structure_string": "Al1 Cd1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nAl Cd O\n1 1 1\ndirect\n-0.016502 -0.058384 0.000000 Al\n0.339868 0.001167 0.000000 Cd\n0.046033 0.261115 0.000000 O\n",
"nsites": 3,
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"volume": 192.04741855379137,
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"formula_full": "Al1 Cd1 O1",
"formula_reduced": "AlCdO",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-116101",
"created_at": "2022-09-04T14:38:40.424547Z",
"updated_at": "2022-09-04T14:38:40.424571Z",
"structure_string": "Al1 Cd1 O4\n1.0\n3.307792 -3.302137 0.000000\n3.307792 3.302137 0.000000\n0.000000 0.000000 3.151461\nAl Cd O\n1 1 4\ndirect\n0.499999 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n0.665307 0.665307 0.000000 O\n0.780122 0.219877 0.500000 O\n0.219877 0.780122 0.500000 O\n0.334691 0.334691 0.000000 O\n",
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"formula_full": "Al1 Cd1 O4",
"formula_reduced": "AlCdO4",
"formula_anonymous": "ABC4",
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"spacegroup": 65
},
{
"id": "jvasp-116102",
"created_at": "2022-09-04T14:38:40.627832Z",
"updated_at": "2022-09-04T14:38:40.627857Z",
"structure_string": "Al1 Cd1 O2\n1.0\n2.777009 0.000000 0.000000\n0.000000 2.777009 0.000000\n0.000000 -0.000000 6.924585\nAl Cd O\n1 1 2\ndirect\n0.500000 0.500000 0.594390 Al\n0.000000 0.000000 0.036675 Cd\n0.000000 0.000000 0.535434 O\n0.500000 0.500000 0.843503 O\n",
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"formula_full": "Al1 Cd1 O2",
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},
{
"id": "jvasp-45367",
"created_at": "2022-09-04T14:37:06.713216Z",
"updated_at": "2022-09-04T14:37:06.713234Z",
"structure_string": "Al6 Cd4 S1 O12\n1.0\n7.281650 -0.000000 -2.574452\n-3.640825 6.306094 -2.574452\n-0.000000 -0.000000 7.723356\nAl Cd S O\n6 4 1 12\ndirect\n0.749999 0.500000 0.250000 Al\n0.249999 0.500000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.500000 Al\n0.499999 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.330239 0.330239 0.330240 Cd\n0.669760 0.000000 0.000000 Cd\n0.999999 0.669760 0.000000 Cd\n0.000000 0.000000 0.669761 Cd\n0.000000 0.000000 0.000000 S\n0.272230 0.720389 0.272231 O\n-0.000001 0.727769 0.448159 O\n0.727769 0.448158 0.000000 O\n0.448158 0.727769 -0.000000 O\n0.551841 0.551841 0.279611 O\n0.448159 0.000000 0.727770 O\n-0.000000 0.448158 0.727769 O\n0.279610 0.551841 0.551842 O\n0.551841 0.279610 0.551842 O\n0.272231 0.272231 0.720390 O\n0.720389 0.272231 0.272231 O\n0.727769 0.000000 0.448159 O\n",
"nsites": 23,
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],
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"formula_full": "Al6 Cd4 S1 O12",
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"formula_anonymous": "AB4C6D12",
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"spacegroup": 217
}
]
}