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{
"id": "jvasp-34156",
"created_at": "2022-09-04T14:37:19.853811Z",
"updated_at": "2022-09-04T14:37:19.853839Z",
"structure_string": "Dy4 Co2 Si4\n1.0\n4.030274 0.000000 0.953502\n1.966478 5.207321 0.682420\n0.004840 -0.031743 8.973903\nDy Co Si\n4 2 4\ndirect\n0.186262 0.732914 0.894562 Dy\n0.813737 0.267087 0.105437 Dy\n0.998814 0.330647 0.671722 Dy\n0.001185 0.669353 0.328277 Dy\n0.726765 0.924150 0.622320 Co\n0.273234 0.075850 0.377680 Co\n0.493856 0.138895 0.873391 Si\n0.506143 0.861105 0.126610 Si\n0.346775 0.739388 0.567060 Si\n0.653224 0.260612 0.432940 Si\n",
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{
"id": "jvasp-111616",
"created_at": "2022-09-04T14:38:40.685591Z",
"updated_at": "2022-09-04T14:38:40.685629Z",
"structure_string": "Dy4 Cd2 Te8\n1.0\n7.702464 0.000000 4.447019\n2.567488 7.261953 4.447019\n0.000000 0.000000 8.894040\nDy Cd Te\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Dy\n0.625000 0.125000 0.625000 Dy\n0.625000 0.625000 0.125000 Dy\n0.625000 0.625000 0.625000 Dy\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.857666 0.380778 0.380779 Te\n0.380779 0.857666 0.380779 Te\n0.380778 0.380778 0.857666 Te\n0.380778 0.380778 0.380779 Te\n0.392334 0.869221 0.869222 Te\n0.869221 0.392334 0.869222 Te\n0.869222 0.869221 0.392334 Te\n0.869222 0.869221 0.869222 Te\n",
"nsites": 14,
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"density_atomic": 0.02814140953478789,
"volume": 497.48751862245774,
"volume_molar": 21.399570453482585,
"formula_full": "Dy4 Cd2 Te8",
"formula_reduced": "Dy2CdTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5836262595238093,
"spacegroup": 227
},
{
"id": "jvasp-54833",
"created_at": "2022-09-04T14:37:35.699819Z",
"updated_at": "2022-09-04T14:37:35.699846Z",
"structure_string": "Dy4 Cd2 Se8\n1.0\n7.187253 -0.000000 4.149563\n2.395752 6.776208 4.149563\n0.000000 0.000000 8.299126\nDy Cd Se\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Dy\n-0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.125000 0.125000 0.125000 Cd\n0.874999 0.875000 0.875000 Cd\n0.270341 0.743220 0.743220 Se\n0.256780 0.256780 0.729659 Se\n0.256780 0.729659 0.256780 Se\n0.743219 0.743220 0.743220 Se\n0.256780 0.256780 0.256780 Se\n0.743219 0.743220 0.270342 Se\n0.729658 0.256780 0.256780 Se\n0.743219 0.270342 0.743220 Se\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cd-Dy-Se",
"density": 6.189232402161567,
"density_atomic": 0.03463745831673016,
"volume": 404.18670076718337,
"volume_molar": 17.386208609571277,
"formula_full": "Dy4 Cd2 Se8",
"formula_reduced": "Dy2CdSe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
},
{
"id": "jvasp-11433",
"created_at": "2022-09-04T14:37:19.062658Z",
"updated_at": "2022-09-04T14:37:19.062684Z",
"structure_string": "Dy4 Cd2 S8\n1.0\n6.890604 0.000000 3.978292\n2.296868 6.496525 3.978292\n-0.000000 -0.000000 7.956585\nDy Cd S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 -0.000000 0.500000 Dy\n0.875000 0.874999 0.874999 Cd\n0.125000 0.125000 0.125000 Cd\n0.742838 0.742838 0.742838 S\n0.257162 0.257162 0.728514 S\n0.257162 0.728514 0.257161 S\n0.728514 0.257162 0.257162 S\n0.742838 0.271485 0.742838 S\n0.271486 0.742838 0.742838 S\n0.257162 0.257162 0.257162 S\n0.742838 0.742838 0.271485 S\n",
"nsites": 14,
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"elements": [
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"S"
],
"chemical_system": "Cd-Dy-S",
"density": 5.274458687003873,
"density_atomic": 0.03930636864863716,
"volume": 356.176377552125,
"volume_molar": 15.321030578612863,
"formula_full": "Dy4 Cd2 S8",
"formula_reduced": "Dy2CdS4",
"formula_anonymous": "AB2C4",
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"spacegroup": 227
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{
"id": "jvasp-21847",
"created_at": "2022-09-04T14:37:37.265750Z",
"updated_at": "2022-09-04T14:37:37.265769Z",
"structure_string": "Dy4 Cd2 Pd4\n1.0\n7.692080 -0.000000 -0.000000\n0.000000 7.692080 -0.000000\n-0.000000 0.000000 3.697761\nDy Cd Pd\n4 2 4\ndirect\n0.328671 0.828671 0.500000 Dy\n0.828671 0.671329 0.500000 Dy\n0.171329 0.328671 0.500000 Dy\n0.671329 0.171329 0.500000 Dy\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.370806 0.129194 0.000000 Pd\n0.870806 0.370806 0.000000 Pd\n0.129194 0.629194 0.000000 Pd\n0.629194 0.870806 0.000000 Pd\n",
"nsites": 10,
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"elements": [
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],
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"density": 9.870376057679781,
"density_atomic": 0.04570603812529546,
"volume": 218.78947312358758,
"volume_molar": 13.17581003956481,
"formula_full": "Dy4 Cd2 Pd4",
"formula_reduced": "Dy2CdPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7354948300000003,
"spacegroup": 127
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{
"id": "jvasp-109337",
"created_at": "2022-09-04T14:38:28.477704Z",
"updated_at": "2022-09-04T14:38:28.477725Z",
"structure_string": "Dy4 Cd2 Cu4\n1.0\n7.507446 -0.000000 0.000000\n0.000000 7.507446 0.000000\n-0.000000 0.000000 3.676500\nDy Cd Cu\n4 2 4\ndirect\n0.673826 0.173826 0.500000 Dy\n0.326174 0.826174 0.500000 Dy\n0.173826 0.326174 0.500000 Dy\n0.826174 0.673826 0.500000 Dy\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.120448 0.620448 -0.000000 Cu\n0.879553 0.379553 -0.000000 Cu\n0.620448 0.879553 -0.000000 Cu\n0.379553 0.120448 -0.000000 Cu\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cd-Cu-Dy",
"density": 9.047453151681948,
"density_atomic": 0.04825929748625178,
"volume": 207.21395712088065,
"volume_molar": 12.478716172185477,
"formula_full": "Dy4 Cd2 Cu4",
"formula_reduced": "Dy2CdCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1714133899999999,
"spacegroup": 127
},
{
"id": "jvasp-116703",
"created_at": "2022-09-04T14:38:44.305239Z",
"updated_at": "2022-09-04T14:38:44.305266Z",
"structure_string": "Dy4 Cd1 Se7\n1.0\n6.681569 -0.008217 1.751801\n5.498297 3.796336 1.751801\n0.056240 0.017492 12.159036\nDy Cd Se\n4 1 7\ndirect\n0.701307 0.701307 0.189638 Dy\n0.315900 0.315900 0.789416 Dy\n0.007113 0.007113 0.003465 Dy\n0.110867 0.110866 0.571047 Dy\n0.880973 0.880973 0.420645 Cd\n0.735691 0.735690 0.645340 Se\n0.254182 0.254181 0.348362 Se\n0.345407 0.345407 0.045369 Se\n0.667184 0.667184 0.944854 Se\n0.039445 0.039445 0.221198 Se\n0.967209 0.967209 0.788745 Se\n0.474724 0.474724 0.531923 Se\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cd-Dy-Se",
"density": 7.07752211699647,
"density_atomic": 0.03889057540454462,
"volume": 308.5580471662994,
"volume_molar": 15.484833272218118,
"formula_full": "Dy4 Cd1 Se7",
"formula_reduced": "Dy4CdSe7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.2284457763888892,
"spacegroup": 8
},
{
"id": "jvasp-120533",
"created_at": "2022-09-04T14:38:45.101979Z",
"updated_at": "2022-09-04T14:38:45.102006Z",
"structure_string": "Dy4 Cd1 S7\n1.0\n6.402156 -0.007401 1.665971\n5.262708 3.645760 1.665971\n0.048754 0.015207 11.586641\nDy Cd S\n4 1 7\ndirect\n0.700558 0.700558 0.190856 Dy\n0.314893 0.314895 0.790993 Dy\n0.006576 0.006576 0.002489 Dy\n0.110720 0.110721 0.571620 Dy\n0.882434 0.882435 0.419370 Cd\n0.735243 0.735244 0.646077 S\n0.254235 0.254236 0.349027 S\n0.345890 0.345890 0.047200 S\n0.666116 0.666118 0.945378 S\n0.040896 0.040896 0.219840 S\n0.964900 0.964902 0.788257 S\n0.477535 0.477536 0.528893 S\n",
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],
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"density": 6.056665458463754,
"density_atomic": 0.0443514219029169,
"volume": 270.56629720389606,
"volume_molar": 13.57823605561547,
"formula_full": "Dy4 Cd1 S7",
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"formula_anonymous": "AB4C7",
"energy_above_hull": 1.5649188125000002,
"spacegroup": 8
},
{
"id": "jvasp-46077",
"created_at": "2022-09-04T14:38:17.155828Z",
"updated_at": "2022-09-04T14:38:17.155855Z",
"structure_string": "Dy4 Bi4 O14\n1.0\n-0.000000 5.450907 5.450907\n5.450907 0.000000 5.450907\n5.450907 5.450907 -0.000000\nDy Bi O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.894991 0.355010 0.894991 O\n0.625000 0.625000 0.625000 O\n0.894991 0.894991 0.355010 O\n0.355010 0.355010 0.894991 O\n0.355010 0.894991 0.355010 O\n0.644991 0.105010 0.644991 O\n0.105010 0.644991 0.105010 O\n0.105010 0.105010 0.644991 O\n0.644991 0.644991 0.105010 O\n0.105010 0.644991 0.644991 O\n0.894991 0.355010 0.355010 O\n0.644991 0.105010 0.105010 O\n0.375000 0.375000 0.375000 O\n0.355010 0.894991 0.894991 O\n",
"nsites": 22,
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"chemical_system": "Bi-Dy-O",
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"density_atomic": 0.06791823133438786,
"volume": 323.9189179071146,
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"formula_full": "Dy4 Bi4 O14",
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"formula_anonymous": "A2B2C7",
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{
"id": "jvasp-55536",
"created_at": "2022-09-04T14:37:13.649284Z",
"updated_at": "2022-09-04T14:37:13.649313Z",
"structure_string": "Dy4 Be4 Ge2 O14\n1.0\n7.434175 0.000000 0.000000\n0.000000 7.434175 0.000000\n0.000000 -0.000000 4.810873\nDy Be Ge O\n4 4 2 14\ndirect\n0.658001 0.841998 0.505015 Dy\n0.158001 0.658001 0.494984 Dy\n0.841998 0.341998 0.494984 Dy\n0.341998 0.158001 0.505015 Dy\n0.364542 0.864542 0.048416 Be\n0.864542 0.635457 0.951583 Be\n0.635457 0.135457 0.048416 Be\n0.135457 0.364542 0.951583 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.857630 0.642369 0.282127 O\n0.357631 0.857630 0.717872 O\n0.642369 0.142369 0.717872 O\n0.142369 0.357631 0.282127 O\n0.500000 0.000000 0.185738 O\n0.000000 0.500000 0.814262 O\n0.172002 0.918795 0.218936 O\n0.327997 0.418795 0.781063 O\n0.418795 0.672002 0.218936 O\n0.581205 0.327997 0.218936 O\n0.081205 0.172002 0.781063 O\n0.918795 0.827997 0.781063 O\n0.672002 0.581205 0.781063 O\n0.827997 0.081205 0.218936 O\n",
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{
"id": "jvasp-61260",
"created_at": "2022-09-04T14:35:55.629340Z",
"updated_at": "2022-09-04T14:35:55.629364Z",
"structure_string": "Dy4 B8 Ru4\n1.0\n5.312498 0.000000 0.000000\n-0.000000 5.908853 0.000000\n0.000000 0.000000 6.378314\nDy B Ru\n4 8 4\ndirect\n0.250000 0.009940 0.661740 Dy\n0.750000 0.490059 0.161741 Dy\n0.750000 0.990059 0.338259 Dy\n0.250000 0.509940 0.838259 Dy\n0.085442 0.371725 0.462440 B\n0.914559 0.128274 0.962440 B\n0.585442 0.628274 0.537559 B\n0.414558 0.871725 0.037559 B\n0.914559 0.628274 0.537559 B\n0.085442 0.871725 0.037559 B\n0.414558 0.371725 0.462440 B\n0.585442 0.128274 0.962440 B\n0.250000 0.185195 0.183355 Ru\n0.750000 0.314804 0.683355 Ru\n0.750000 0.814804 0.816644 Ru\n0.250000 0.685195 0.316644 Ru\n",
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{
"id": "jvasp-21780",
"created_at": "2022-09-04T14:38:35.728872Z",
"updated_at": "2022-09-04T14:38:35.728903Z",
"structure_string": "Dy4 B4 O12\n1.0\n6.129556 -0.060506 -0.101793\n-1.924583 6.094596 0.003779\n-1.961805 -0.887005 6.014136\nDy B O\n4 4 12\ndirect\n0.558134 0.273177 0.848121 Dy\n0.441866 0.726823 0.151881 Dy\n0.938565 0.819050 0.719540 Dy\n0.061436 0.180950 0.280461 Dy\n0.990389 0.281509 0.769248 B\n0.009612 0.718491 0.230753 B\n0.474300 0.760989 0.710635 B\n0.525701 0.239010 0.289366 B\n0.871503 0.128421 0.883613 O\n0.128498 0.871578 0.116388 O\n0.347599 0.877457 0.780936 O\n0.652402 0.122543 0.219065 O\n0.120685 0.204529 0.661387 O\n0.589204 0.644936 0.866510 O\n0.528686 0.770839 0.520014 O\n0.471314 0.229161 0.479987 O\n0.041648 0.518301 0.232927 O\n0.410796 0.355064 0.133491 O\n0.879316 0.795470 0.338615 O\n0.958353 0.481699 0.767074 O\n",
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}
]
}