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{
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"results": [
{
"id": "jvasp-59790",
"created_at": "2022-09-04T14:37:34.640005Z",
"updated_at": "2022-09-04T14:37:34.640026Z",
"structure_string": "Nd4 Sn4 Pd4\n1.0\n4.720294 0.000000 0.000000\n0.000000 7.496216 0.000000\n0.000000 0.000000 8.023893\nNd Sn Pd\n4 4 4\ndirect\n0.250000 0.488738 0.702797 Nd\n0.749999 0.511262 0.297203 Nd\n0.250000 0.988738 0.797203 Nd\n0.749999 0.011262 0.202797 Nd\n0.250000 0.809718 0.412198 Sn\n0.749999 0.690283 0.912198 Sn\n0.250000 0.309717 0.087802 Sn\n0.749999 0.190283 0.587802 Sn\n0.749999 0.298426 0.916093 Pd\n0.250000 0.201574 0.416094 Pd\n0.749999 0.798426 0.583906 Pd\n0.250000 0.701575 0.083906 Pd\n",
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{
"id": "jvasp-119084",
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"updated_at": "2022-09-04T14:38:34.030852Z",
"structure_string": "Nd4 Si4 Pd8\n1.0\n5.687588 -0.000000 0.000000\n0.000000 6.960613 0.000000\n-0.000000 -0.000000 7.588291\nNd Si Pd\n4 4 8\ndirect\n0.144219 0.750000 0.531200 Nd\n0.855781 0.250000 0.468800 Nd\n0.644219 0.250000 0.968800 Nd\n0.355781 0.750000 0.031200 Nd\n0.851688 0.750000 0.876138 Si\n0.148313 0.250000 0.123862 Si\n0.351687 0.250000 0.623862 Si\n0.648313 0.750000 0.376138 Si\n0.592467 0.551873 0.675699 Pd\n0.407533 0.448126 0.324301 Pd\n0.092467 0.448126 0.824301 Pd\n0.407533 0.051874 0.324301 Pd\n0.907534 0.551873 0.175699 Pd\n0.592467 0.948126 0.675699 Pd\n0.907534 0.948126 0.175699 Pd\n0.092467 0.051874 0.824301 Pd\n",
"nsites": 16,
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"elements": [
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"volume": 300.41360342311776,
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"formula_full": "Nd4 Si4 Pd8",
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"formula_anonymous": "ABC2",
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"spacegroup": 62
},
{
"id": "jvasp-15361",
"created_at": "2022-09-04T14:36:49.951547Z",
"updated_at": "2022-09-04T14:36:49.951573Z",
"structure_string": "Nd1 Si2 Pd2\n1.0\n3.961575 0.000000 -1.549322\n-0.605920 3.914963 -1.549322\n-0.005235 -0.006107 5.826096\nNd Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.619724 0.619724 0.239451 Si\n0.380276 0.380274 0.760550 Si\n0.750000 0.249999 0.500000 Pd\n0.250000 0.749999 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Nd-Pd-Si",
"density": 7.600679273100597,
"density_atomic": 0.055380554369894745,
"volume": 90.28439777984661,
"volume_molar": 10.874107037241359,
"formula_full": "Nd1 Si2 Pd2",
"formula_reduced": "Nd(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.21508802,
"spacegroup": 139
},
{
"id": "jvasp-85224",
"created_at": "2022-09-04T14:37:09.004864Z",
"updated_at": "2022-09-04T14:37:09.004889Z",
"structure_string": "Nd4 Sb4 Pd4\n1.0\n4.535546 0.000000 0.000000\n0.000000 8.041181 -0.000000\n0.000000 -0.000000 8.196041\nNd Sb Pd\n4 4 4\ndirect\n0.500000 0.750000 0.500346 Nd\n0.000000 0.750000 0.999659 Nd\n0.500000 0.250000 0.499654 Nd\n0.000000 0.250000 0.000341 Nd\n0.500000 0.499801 0.821283 Sb\n0.500000 0.999801 0.178717 Sb\n0.500000 0.500199 0.178717 Sb\n0.500000 0.000199 0.821283 Sb\n0.000000 0.500479 0.336137 Pd\n0.000000 0.499521 0.663863 Pd\n0.000000 0.999521 0.336137 Pd\n0.000000 0.000479 0.663863 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Sb",
"Pd"
],
"chemical_system": "Nd-Pd-Sb",
"density": 8.275435933158633,
"density_atomic": 0.04014465315453875,
"volume": 298.919010554293,
"volume_molar": 15.001102978315652,
"formula_full": "Nd4 Sb4 Pd4",
"formula_reduced": "NdSbPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1685477666666668,
"spacegroup": 47
},
{
"id": "jvasp-35010",
"created_at": "2022-09-04T14:37:32.847597Z",
"updated_at": "2022-09-04T14:37:32.847627Z",
"structure_string": "Nd2 Sb2 Pd2\n1.0\n2.305035 -3.992439 0.000000\n2.305035 3.992439 0.000000\n-0.000000 -0.000000 7.996354\nNd Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.666668 0.333334 0.750000 Sb\n0.333334 0.666668 0.250000 Sb\n0.666668 0.333334 0.250000 Pd\n0.333334 0.666668 0.750000 Pd\n",
"nsites": 6,
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"elements": [
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"formula_full": "Nd2 Sb2 Pd2",
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"spacegroup": 194
},
{
"id": "jvasp-8468",
"created_at": "2022-09-04T14:37:04.260334Z",
"updated_at": "2022-09-04T14:37:04.260364Z",
"structure_string": "Nd2 Sb4 Pd2\n1.0\n4.503260 0.000000 0.000000\n0.000000 4.503260 0.000000\n0.000000 0.000000 9.874842\nNd Sb Pd\n2 4 2\ndirect\n0.000000 0.500000 0.246608 Nd\n0.500000 0.000000 0.753391 Nd\n0.000000 0.500000 0.844550 Sb\n0.500000 0.000000 0.155450 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 200.25538331015082,
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"formula_full": "Nd2 Sb4 Pd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 129
},
{
"id": "jvasp-22137",
"created_at": "2022-09-04T14:38:15.386162Z",
"updated_at": "2022-09-04T14:38:15.386178Z",
"structure_string": "Nd2 Pd6 S8\n1.0\n6.758997 -0.000000 -0.000000\n0.000000 6.758997 -0.000000\n0.000000 -0.000000 6.758997\nNd Pd S\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.750000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.000000 0.500000 0.750000 Pd\n0.000000 0.500000 0.250000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 S\n0.250000 0.250000 0.750000 S\n0.250000 0.750000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.750000 0.250000 S\n0.250000 0.250000 0.250000 S\n0.750000 0.250000 0.750000 S\n",
"nsites": 16,
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"elements": [
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"S"
],
"chemical_system": "Nd-Pd-S",
"density": 6.364721507710042,
"density_atomic": 0.05181711408420962,
"volume": 308.77829232245347,
"volume_molar": 11.621914624989012,
"formula_full": "Nd2 Pd6 S8",
"formula_reduced": "NdPd3S4",
"formula_anonymous": "AB3C4",
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"spacegroup": 223
},
{
"id": "jvasp-78499",
"created_at": "2022-09-04T14:37:15.495952Z",
"updated_at": "2022-09-04T14:37:15.495978Z",
"structure_string": "Nd1 Pd2\n1.0\n3.959702 -0.000000 -0.000000\n-0.000000 3.959702 -0.000000\n-1.979851 -1.979851 4.411589\nNd Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 3,
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"elements": [
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"density": 8.572292965093235,
"density_atomic": 0.04337117655574005,
"volume": 69.17036239827252,
"volume_molar": 13.885121959420275,
"formula_full": "Nd1 Pd2",
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"spacegroup": 139
},
{
"id": "jvasp-14501",
"created_at": "2022-09-04T14:38:10.762899Z",
"updated_at": "2022-09-04T14:38:10.762909Z",
"structure_string": "Nd1 Pd3\n1.0\n4.195940 0.000000 0.000000\n0.000000 4.195940 0.000000\n-0.000000 -0.000000 4.195940\nNd Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
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"density": 10.418684859519093,
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"volume": 73.8733524264366,
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"formula_full": "Nd1 Pd3",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-37136",
"created_at": "2022-09-04T14:38:04.829832Z",
"updated_at": "2022-09-04T14:38:04.829856Z",
"structure_string": "Nd2 Pd2\n1.0\n-3.877073 0.000000 0.000000\n-0.000000 -0.000000 -4.627641\n-1.938537 -5.445362 -0.000000\nNd Pd\n2 2\ndirect\n0.136600 0.750000 0.726800 Nd\n0.863400 0.250000 0.273200 Nd\n0.412769 0.750000 0.174462 Pd\n0.587231 0.250000 0.825538 Pd\n",
"nsites": 4,
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},
{
"id": "jvasp-79045",
"created_at": "2022-09-04T14:36:42.586141Z",
"updated_at": "2022-09-04T14:36:42.586166Z",
"structure_string": "Nd3 Pd1\n1.0\n-2.258082 2.258082 5.437112\n2.258082 -2.258082 5.437112\n2.258082 2.258082 -5.437112\nNd Pd\n3 1\ndirect\n0.750000 0.250000 0.500000 Nd\n0.250000 0.750000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Pd\n",
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},
{
"id": "jvasp-113070",
"created_at": "2022-09-04T14:38:46.519732Z",
"updated_at": "2022-09-04T14:38:46.519756Z",
"structure_string": "Nd4 Si4 Pb2 S16\n1.0\n8.121968 -0.060235 3.734761\n3.091138 7.510983 3.734761\n-0.041470 -0.027556 10.165764\nNd Si Pb S\n4 4 2 16\ndirect\n0.060640 0.254122 0.750497 Nd\n0.441588 0.560706 0.754803 Nd\n0.254123 0.060639 0.250497 Nd\n0.560707 0.441587 0.254803 Nd\n0.646231 0.176557 0.020238 Si\n0.176558 0.646230 0.520238 Si\n0.325961 0.851345 0.980433 Si\n0.851347 0.325959 0.480433 Si\n0.913103 0.753797 0.241043 Pb\n0.753799 0.913101 0.741043 Pb\n0.099098 0.569414 0.761360 S\n0.569415 0.099097 0.261360 S\n0.796007 0.532704 0.569561 S\n0.072541 0.103305 0.548663 S\n0.615220 0.272677 0.566492 S\n0.532705 0.796005 0.069561 S\n0.272678 0.615219 0.066492 S\n0.423625 0.236281 0.952756 S\n0.236282 0.423624 0.452756 S\n0.983689 0.877448 0.420220 S\n0.408450 0.709326 0.444205 S\n0.397241 0.918920 0.739726 S\n0.709328 0.408449 0.944205 S\n0.877451 0.983687 0.920220 S\n0.103306 0.072541 0.048664 S\n0.918922 0.397239 0.239726 S\n",
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}
]
}