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{
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{
"id": "jvasp-38444",
"created_at": "2022-09-04T14:37:59.911009Z",
"updated_at": "2022-09-04T14:37:59.911030Z",
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{
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"structure_string": "Nd1 P2 Ru2\n1.0\n3.815160 -0.000000 -1.446577\n-0.548493 3.775527 -1.446577\n0.022419 0.025912 5.813413\nNd P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.367582 0.367582 0.735163 P\n0.632418 0.632418 0.264835 P\n0.750000 0.250000 0.499999 Ru\n0.250001 0.750000 0.500000 Ru\n",
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{
"id": "jvasp-38430",
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"structure_string": "Pr1 Nd1 Zn2\n1.0\n0.000000 3.688014 3.688014\n3.688014 0.000000 3.688014\n3.688014 3.688014 -0.000000\nPr Nd Zn\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Pr\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "jvasp-20911",
"created_at": "2022-09-04T14:38:36.245464Z",
"updated_at": "2022-09-04T14:38:36.245487Z",
"structure_string": "Nd8 P8 S32\n1.0\n9.785104 0.000000 -4.798754\n-2.353377 9.497888 -4.798754\n0.014433 0.018446 12.405175\nNd P S\n8 8 32\ndirect\n0.125000 0.375000 0.250000 Nd\n0.874999 0.625000 0.750001 Nd\n0.624999 0.875000 0.250000 Nd\n0.375000 0.625000 0.750001 Nd\n0.625000 0.375000 0.250000 Nd\n0.125000 0.875000 0.250000 Nd\n0.874999 0.125000 0.750000 Nd\n0.375000 0.125000 0.750000 Nd\n0.287423 0.250000 0.500000 P\n0.787423 0.250000 0.500000 P\n0.749999 0.787423 0.000000 P\n0.250000 0.712577 0.000000 P\n0.712576 0.750000 0.500001 P\n0.212577 0.750000 0.500000 P\n0.250000 0.212577 0.000000 P\n0.750000 0.287423 0.000000 P\n0.906545 0.886688 0.995594 S\n0.165401 0.732667 0.826230 S\n0.093454 0.113312 0.004407 S\n0.391094 0.093454 0.504407 S\n0.113312 0.910954 0.504407 S\n0.108905 0.589047 0.495593 S\n0.406546 0.108906 0.995594 S\n0.906436 0.839173 0.673771 S\n0.386687 0.406547 0.495593 S\n0.910953 0.391095 0.004407 S\n0.589046 0.386688 0.995594 S\n0.767333 0.334599 0.673771 S\n0.839172 0.767334 0.173771 S\n0.334598 0.906437 0.173771 S\n0.608905 0.906547 0.495594 S\n0.886687 0.089047 0.495593 S\n0.410953 0.613313 0.004407 S\n0.593453 0.891095 0.004407 S\n0.891094 0.410953 0.504407 S\n0.613312 0.593454 0.504407 S\n0.339172 0.406437 0.173771 S\n0.089046 0.608906 0.995594 S\n0.267333 0.339173 0.673771 S\n0.665401 0.093563 0.826230 S\n0.160827 0.232667 0.826230 S\n0.232666 0.665402 0.326230 S\n0.093563 0.160828 0.326230 S\n0.660827 0.593563 0.826230 S\n0.732666 0.660828 0.326230 S\n0.593562 0.165402 0.326230 S\n0.406437 0.834599 0.673771 S\n0.834598 0.267334 0.173771 S\n",
"nsites": 48,
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"elements": [
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"P",
"S"
],
"chemical_system": "Nd-P-S",
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"volume": 1154.6422438061963,
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"formula_full": "Nd8 P8 S32",
"formula_reduced": "NdPS4",
"formula_anonymous": "ABC4",
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"spacegroup": 142
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{
"id": "jvasp-14515",
"created_at": "2022-09-04T14:38:11.467085Z",
"updated_at": "2022-09-04T14:38:11.467113Z",
"structure_string": "Nd1 Pt5\n1.0\n2.707794 -4.690036 0.000000\n2.707794 4.690036 -0.000000\n0.000000 -0.000000 4.446295\nNd Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333332 0.666666 0.000000 Pt\n0.666666 0.333332 0.000000 Pt\n-0.000001 0.500000 0.499999 Pt\n0.499999 0.499999 0.499999 Pt\n0.500000 -0.000001 0.499999 Pt\n",
"nsites": 6,
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"elements": [
"Nd",
"Pt"
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"chemical_system": "Nd-Pt",
"density": 16.463265017947975,
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"volume": 112.93279251476388,
"volume_molar": 11.334952882396374,
"formula_full": "Nd1 Pt5",
"formula_reduced": "NdPt5",
"formula_anonymous": "AB5",
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"spacegroup": 191
},
{
"id": "jvasp-90863",
"created_at": "2022-09-04T14:36:14.067273Z",
"updated_at": "2022-09-04T14:36:14.067297Z",
"structure_string": "Nd4 Pt4\n1.0\n0.000000 4.599138 -0.000000\n0.000000 0.000000 5.740956\n7.352319 0.000000 0.000000\nNd Pt\n4 4\ndirect\n0.250000 0.358191 0.683140 Nd\n0.250000 0.141810 0.183140 Nd\n0.750000 0.641810 0.316860 Nd\n0.750000 0.858191 0.816860 Nd\n0.250000 0.843018 0.545188 Pt\n0.250000 0.656983 0.045188 Pt\n0.750000 0.156983 0.454812 Pt\n0.750000 0.343018 0.954812 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Pt"
],
"chemical_system": "Nd-Pt",
"density": 11.610240746317992,
"density_atomic": 0.041210225008385296,
"volume": 194.12657898306043,
"volume_molar": 14.613219798665595,
"formula_full": "Nd4 Pt4",
"formula_reduced": "NdPt",
"formula_anonymous": "AB",
"energy_above_hull": 0.80727145,
"spacegroup": 62
},
{
"id": "jvasp-54820",
"created_at": "2022-09-04T14:37:31.044238Z",
"updated_at": "2022-09-04T14:37:31.044254Z",
"structure_string": "Nd2 Pt2\n1.0\n3.681133 0.000000 -1.314666\n0.000000 4.555513 0.000000\n-0.003298 -0.000000 5.801780\nNd Pt\n2 2\ndirect\n0.863025 0.250000 0.726052 Nd\n0.136974 0.749999 0.273947 Nd\n0.410140 0.749999 0.820282 Pt\n0.589859 0.250000 0.179717 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Nd-Pt",
"density": 11.585221758710048,
"density_atomic": 0.04112142081118272,
"volume": 97.27290354014774,
"volume_molar": 14.6447779313168,
"formula_full": "Nd2 Pt2",
"formula_reduced": "NdPt",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-15028",
"created_at": "2022-09-04T14:36:43.640288Z",
"updated_at": "2022-09-04T14:36:43.640312Z",
"structure_string": "Nd2 Pt4\n1.0\n4.777704 -0.000000 2.758408\n1.592568 4.504461 2.758408\n-0.000000 0.000000 5.516816\nNd Pt\n2 4\ndirect\n0.875000 0.875000 0.875001 Nd\n0.125000 0.125000 0.125000 Nd\n0.500000 0.500000 0.500001 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500001 Pt\n",
"nsites": 6,
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"elements": [
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],
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"density": 14.948688736160506,
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"formula_full": "Nd2 Pt4",
"formula_reduced": "NdPt2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-79271",
"created_at": "2022-09-04T14:36:42.740016Z",
"updated_at": "2022-09-04T14:36:42.740036Z",
"structure_string": "Nd1 Pt3\n1.0\n4.206681 0.000000 0.000000\n0.000000 4.206681 0.000000\n-0.000000 -0.000000 4.206681\nNd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Nd-Pt",
"density": 16.27241762935757,
"density_atomic": 0.05373302015005563,
"volume": 74.4421212288001,
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"spacegroup": 221
},
{
"id": "jvasp-17361",
"created_at": "2022-09-04T14:38:31.722280Z",
"updated_at": "2022-09-04T14:38:31.722297Z",
"structure_string": "Nd2 Sb2 Pt2\n1.0\n2.292441 -3.970624 0.000000\n2.292441 3.970624 0.000000\n0.000000 -0.000000 8.078726\nNd Sb Pt\n2 2 2\ndirect\n0.000000 0.000000 0.502792 Nd\n0.000000 0.000000 0.002792 Nd\n0.666667 0.333333 0.765321 Sb\n0.333333 0.666667 0.265321 Sb\n0.333333 0.666667 0.707987 Pt\n0.666667 0.333333 0.207987 Pt\n",
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"elements": [
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],
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"volume": 147.07193448210035,
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"formula_full": "Nd2 Sb2 Pt2",
"formula_reduced": "NdSbPt",
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},
{
"id": "jvasp-95062",
"created_at": "2022-09-04T14:35:47.682693Z",
"updated_at": "2022-09-04T14:35:47.682726Z",
"structure_string": "Nd2 Si2 Pt2\n1.0\n4.224538 0.000000 0.000000\n0.000000 4.224538 0.000000\n-2.112268 -2.112268 7.255432\nNd Si Pt\n2 2 2\ndirect\n0.249161 0.749161 0.498322 Nd\n0.999161 0.999161 0.998322 Nd\n0.668466 0.168466 0.336931 Si\n0.418465 0.418465 0.836931 Si\n0.836373 0.336373 0.672746 Pt\n0.586373 0.586373 0.172746 Pt\n",
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},
{
"id": "jvasp-17887",
"created_at": "2022-09-04T14:38:12.216437Z",
"updated_at": "2022-09-04T14:38:12.216466Z",
"structure_string": "Nd1 Si2 Pt2\n1.0\n3.978465 0.000000 -1.580200\n-0.627637 3.928646 -1.580200\n0.005348 0.006270 5.811849\nNd Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.621720 0.621722 0.243441 Si\n0.378279 0.378279 0.756559 Si\n0.250000 0.750001 0.500000 Pt\n0.749999 0.250000 0.500000 Pt\n",
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}
]
}