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{
"id": "jvasp-101007",
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"structure_string": "Nd2 Tl1 Ag1\n1.0\n4.679787 -0.000000 2.701876\n1.559929 4.412145 2.701876\n-0.000000 -0.000000 5.403752\nNd Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750001 0.750000 Nd\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.500000 Ag\n",
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{
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"structure_string": "Nd6 Si2 Ag2 S14\n1.0\n0.000000 10.304954 0.001407\n5.767559 0.000000 0.000000\n0.000000 -5.151410 -8.925130\nNd Si Ag S\n6 2 2 14\ndirect\n0.359697 0.249992 0.236163 Nd\n0.640303 0.749992 0.763836 Nd\n0.763834 0.249998 0.123529 Nd\n0.876468 0.249993 0.640308 Nd\n0.123531 0.749994 0.359692 Nd\n0.236165 0.749998 0.876471 Nd\n0.666671 0.663666 0.333336 Si\n0.333329 0.163666 0.666664 Si\n-0.000002 0.288537 -0.000003 Ag\n0.000002 0.788537 0.000003 Ag\n0.908559 0.763410 0.730717 S\n0.822155 0.763403 0.091441 S\n0.730716 0.263410 0.822156 S\n0.269283 0.763410 0.177843 S\n0.114079 0.017660 0.589802 S\n0.410190 0.017665 0.524274 S\n0.333330 0.530602 0.666665 S\n0.885920 0.517660 0.410197 S\n0.475723 0.017662 0.885912 S\n0.524276 0.517662 0.114088 S\n0.091441 0.263410 0.269283 S\n0.666669 0.030602 0.333334 S\n0.589809 0.517665 0.475726 S\n0.177845 0.263403 0.908559 S\n",
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"formula_full": "Nd6 Si2 Ag2 S14",
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{
"id": "jvasp-15449",
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"structure_string": "Nd2 Ag2 Sn2\n1.0\n2.398251 -4.153893 -0.000000\n2.398251 4.153893 0.000000\n0.000000 -0.000000 7.651703\nNd Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.761068 Nd\n0.000000 0.000000 0.261068 Nd\n0.666667 0.333333 0.958110 Ag\n0.333333 0.666667 0.458110 Ag\n0.333333 0.666667 0.040821 Sn\n0.666667 0.333333 0.540821 Sn\n",
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"density_atomic": 0.03935620467930662,
"volume": 152.45372486729605,
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"formula_reduced": "NdAgSn",
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"spacegroup": 186
},
{
"id": "jvasp-31187",
"created_at": "2022-09-04T14:38:30.038493Z",
"updated_at": "2022-09-04T14:38:30.038519Z",
"structure_string": "Nd2 Si2 Ag2\n1.0\n2.221869 -3.848391 0.000000\n2.221869 3.848391 -0.000000\n0.000000 0.000000 7.893600\nNd Si Ag\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n",
"nsites": 6,
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"volume": 134.99035852742463,
"volume_molar": 13.548849004916958,
"formula_full": "Nd2 Si2 Ag2",
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},
{
"id": "jvasp-18829",
"created_at": "2022-09-04T14:35:51.900469Z",
"updated_at": "2022-09-04T14:35:51.900486Z",
"structure_string": "Nd1 Si2 Ag2\n1.0\n3.998928 -0.000000 -1.465942\n-0.537391 3.962655 -1.465942\n-0.017997 -0.020602 6.138192\nNd Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.609282 0.609283 0.218564 Si\n0.390718 0.390719 0.781436 Si\n0.250000 0.750001 0.500000 Ag\n0.750000 0.250001 0.500000 Ag\n",
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"formula_full": "Nd1 Si2 Ag2",
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{
"id": "jvasp-49375",
"created_at": "2022-09-04T14:36:58.931535Z",
"updated_at": "2022-09-04T14:36:58.931556Z",
"structure_string": "Nd6 Si2 Ag2 Se14\n1.0\n5.359646 -9.283179 -0.000000\n5.359646 9.283179 0.000000\n0.000000 0.000000 6.052541\nNd Si Ag Se\n6 2 2 14\ndirect\n0.230746 0.873159 0.533255 Nd\n0.873159 0.642414 0.033255 Nd\n0.357587 0.230746 0.033255 Nd\n0.642414 0.769255 0.533255 Nd\n0.126842 0.357587 0.533255 Nd\n0.769255 0.126842 0.033255 Nd\n0.666667 0.333333 0.621241 Si\n0.333333 0.666667 0.121241 Si\n0.000000 0.000000 0.492464 Ag\n0.000000 0.000000 0.992464 Ag\n0.824649 0.096173 0.517940 Se\n0.728476 0.824649 0.017940 Se\n0.333333 0.666667 0.746179 Se\n0.666667 0.333333 0.246179 Se\n0.106974 0.584987 0.272391 Se\n0.521988 0.106974 0.772391 Se\n0.584987 0.478013 0.772391 Se\n0.271524 0.175352 0.517940 Se\n0.478013 0.893027 0.272391 Se\n0.893027 0.415014 0.772391 Se\n0.903828 0.728477 0.517940 Se\n0.415014 0.521988 0.272391 Se\n0.175352 0.903828 0.017940 Se\n0.096172 0.271524 0.017940 Se\n",
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"density_atomic": 0.03984838047907864,
"volume": 602.2829462944065,
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"formula_full": "Nd6 Si2 Ag2 Se14",
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{
"id": "jvasp-13333",
"created_at": "2022-09-04T14:36:49.869771Z",
"updated_at": "2022-09-04T14:36:49.869792Z",
"structure_string": "Nd5 Ag1 Se8\n1.0\n7.722022 0.053419 0.000000\n-2.523643 7.298199 -0.000000\n-2.599189 -3.675808 6.274164\nNd Ag Se\n5 1 8\ndirect\n0.113664 0.744534 0.871861 Nd\n0.255465 0.627326 0.369129 Nd\n0.372673 0.241803 0.628139 Nd\n0.625000 0.375000 0.250000 Nd\n0.758197 0.886336 0.130871 Nd\n0.875000 0.125000 0.750000 Ag\n0.989972 0.851642 0.500591 Se\n0.008037 0.361895 0.491585 Se\n0.483548 0.991963 0.853858 Se\n0.148358 0.148950 0.138330 Se\n0.370310 0.516452 0.008414 Se\n0.638105 0.629690 0.646142 Se\n0.510619 0.010028 0.361670 Se\n0.851050 0.489380 0.999408 Se\n",
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"formula_full": "Nd5 Ag1 Se8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 82
},
{
"id": "jvasp-13361",
"created_at": "2022-09-04T14:36:32.545311Z",
"updated_at": "2022-09-04T14:36:32.545338Z",
"structure_string": "Nd5 Ag1 S8\n1.0\n7.419618 0.039315 -0.000000\n-2.436139 7.008388 0.000000\n-2.491739 -3.523851 6.035394\nNd Ag S\n5 1 8\ndirect\n0.111581 0.743587 0.869528 Nd\n0.256413 0.625941 0.367993 Nd\n0.374059 0.242053 0.630472 Nd\n0.625000 0.375000 0.250000 Nd\n0.757947 0.888420 0.132007 Nd\n0.875000 0.125000 0.750000 Ag\n0.990660 0.850118 0.498521 S\n0.482141 0.991899 0.854259 S\n0.507862 0.009340 0.359456 S\n0.149883 0.148405 0.140543 S\n0.372118 0.517859 0.009758 S\n0.637639 0.627882 0.645740 S\n0.851596 0.492139 0.001479 S\n0.008101 0.362361 0.490242 S\n",
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{
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"structure_string": "Nd2 Ag1 Ru1\n1.0\n4.421814 -0.000000 2.552935\n1.473938 4.168926 2.552935\n-0.000000 -0.000000 5.105871\nNd Ag Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.749999 0.750001 0.750001 Nd\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Ru\n",
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},
{
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"structure_string": "Nd2 Ag2 Pb2\n1.0\n2.437268 -4.221472 0.000000\n2.437268 4.221472 0.000000\n0.000000 0.000000 7.697211\nNd Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.988075 Nd\n0.000000 0.000000 0.488075 Nd\n0.666667 0.333334 0.679624 Ag\n0.333334 0.666667 0.179624 Ag\n0.333334 0.666667 0.768800 Pb\n0.666667 0.333334 0.268801 Pb\n",
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{
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"structure_string": "Nd1 Ag2\n1.0\n2.408495 -4.171635 0.000000\n2.408495 4.171635 -0.000000\n-0.000000 0.000000 3.472367\nNd Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333334 0.666668 0.500000 Ag\n0.666668 0.333334 0.500000 Ag\n",
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{
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