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{
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"results": [
{
"id": "jvasp-119032",
"created_at": "2022-09-04T14:38:32.969620Z",
"updated_at": "2022-09-04T14:38:32.969650Z",
"structure_string": "Nd4 Zn10 Sn2\n1.0\n8.580817 -0.018894 0.000000\n-7.414242 4.319698 0.000000\n0.000000 -0.000000 9.061992\nNd Zn Sn\n4 10 2\ndirect\n0.205020 0.794981 0.250000 Nd\n0.794982 0.205020 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.814570 0.185432 0.391741 Zn\n0.185432 0.814570 0.608259 Zn\n0.814570 0.185432 0.108259 Zn\n0.185432 0.814570 0.891740 Zn\n0.656510 0.343492 0.483384 Zn\n0.343492 0.656510 0.516616 Zn\n0.656510 0.343492 0.016616 Zn\n0.343492 0.656510 0.983384 Zn\n0.394471 0.605531 0.250000 Zn\n0.605531 0.394471 0.750000 Zn\n0.554365 0.445637 0.250000 Sn\n0.445637 0.554365 0.750000 Sn\n",
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{
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"updated_at": "2022-09-04T14:36:34.002573Z",
"structure_string": "Nd2 Zn2 Sn2\n1.0\n4.850347 -0.000000 -0.000000\n-2.425172 4.200523 0.000000\n0.000000 0.000000 7.422233\nNd Zn Sn\n2 2 2\ndirect\n-0.000000 -0.000000 0.232318 Nd\n-0.000000 -0.000000 0.767682 Nd\n0.333333 0.666667 0.003799 Zn\n0.666667 0.333333 0.996201 Zn\n0.666667 0.333333 0.539243 Sn\n0.333333 0.666667 0.460757 Sn\n",
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},
{
"id": "jvasp-23385",
"created_at": "2022-09-04T14:37:44.572835Z",
"updated_at": "2022-09-04T14:37:44.572852Z",
"structure_string": "Nd4 Zn4 Sn4\n1.0\n2.284521 -3.956907 0.000000\n2.284521 3.956907 -0.000000\n0.000000 0.000000 16.551775\nNd Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Nd\n0.000000 0.000000 0.250000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.841813 Zn\n0.666667 0.333333 0.658187 Zn\n0.333333 0.666667 0.158187 Zn\n0.333333 0.666667 0.341813 Zn\n0.666667 0.333333 0.114843 Sn\n0.666667 0.333333 0.385157 Sn\n0.333333 0.666667 0.885157 Sn\n0.333333 0.666667 0.614843 Sn\n",
"nsites": 12,
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],
"chemical_system": "Nd-Sn-Zn",
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"density_atomic": 0.040101043946283915,
"volume": 299.24407993154045,
"volume_molar": 15.017416424536897,
"formula_full": "Nd4 Zn4 Sn4",
"formula_reduced": "NdZnSn",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-106978",
"created_at": "2022-09-04T14:36:53.347292Z",
"updated_at": "2022-09-04T14:36:53.347318Z",
"structure_string": "Sr6 Nd2\n1.0\n8.064305 -0.000000 0.000000\n-4.032152 6.983894 0.000000\n-0.000000 -0.000000 6.511591\nSr Nd\n6 2\ndirect\n0.828416 0.171584 0.750000 Sr\n0.343169 0.171584 0.750000 Sr\n0.828416 0.656831 0.750000 Sr\n0.171584 0.828415 0.250000 Sr\n0.656832 0.828415 0.250000 Sr\n0.171584 0.343168 0.250000 Sr\n0.666667 0.333333 0.250000 Nd\n0.333334 0.666666 0.750000 Nd\n",
"nsites": 8,
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"elements": [
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"Nd"
],
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"density": 3.6866391512814247,
"density_atomic": 0.021814149680439817,
"volume": 366.7344415067158,
"volume_molar": 27.60658035366787,
"formula_full": "Sr6 Nd2",
"formula_reduced": "Sr3Nd",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-107987",
"created_at": "2022-09-04T14:36:03.111713Z",
"updated_at": "2022-09-04T14:36:03.111744Z",
"structure_string": "Sr2 Nd6\n1.0\n7.584398 0.000000 0.000000\n-3.792199 6.568281 0.000000\n0.000000 -0.000000 6.004771\nSr Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160794 0.321588 0.250000 Nd\n0.678412 0.839206 0.250000 Nd\n0.160793 0.839206 0.250000 Nd\n0.839207 0.678412 0.750000 Nd\n0.321588 0.160793 0.750000 Nd\n0.839207 0.160793 0.750000 Nd\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Nd-Sr",
"density": 5.776995438639949,
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"volume": 299.13641799671007,
"volume_molar": 22.51802019522982,
"formula_full": "Sr2 Nd6",
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"spacegroup": 194
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{
"id": "jvasp-121986",
"created_at": "2022-09-04T14:38:50.694812Z",
"updated_at": "2022-09-04T14:38:50.694846Z",
"structure_string": "Nd4 Sc4 S12\n1.0\n6.476869 -0.000000 0.000000\n0.000000 7.166921 0.000000\n-0.000000 -0.000000 9.564540\nNd Sc S\n4 4 12\ndirect\n0.537296 0.400835 0.750000 Nd\n0.462704 0.599165 0.250000 Nd\n0.037296 0.099165 0.250000 Nd\n0.962704 0.900835 0.750000 Nd\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.128429 0.535676 0.750000 S\n0.871571 0.464323 0.250000 S\n0.676201 0.686430 0.938053 S\n0.323799 0.313570 0.438053 S\n0.176201 0.813570 0.438053 S\n0.176201 0.813570 0.061947 S\n0.676201 0.686430 0.561947 S\n0.323799 0.313570 0.061947 S\n0.371571 0.035676 0.750000 S\n0.823799 0.186430 0.561947 S\n0.823799 0.186430 0.938053 S\n0.628429 0.964323 0.250000 S\n",
"nsites": 20,
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"elements": [
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"Sc",
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"chemical_system": "Nd-S-Sc",
"density": 4.269632084203977,
"density_atomic": 0.045047238968174086,
"volume": 443.978375991701,
"volume_molar": 13.36850137309114,
"formula_full": "Nd4 Sc4 S12",
"formula_reduced": "NdScS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.67550535,
"spacegroup": 62
},
{
"id": "jvasp-26731",
"created_at": "2022-09-04T14:37:47.749297Z",
"updated_at": "2022-09-04T14:37:47.749315Z",
"structure_string": "Nd4 Sn2 S10\n1.0\n3.963257 0.000000 0.000000\n0.000000 7.851101 -0.000000\n0.000000 0.000000 11.383137\nNd Sn S\n4 2 10\ndirect\n0.500000 0.444403 0.171064 Nd\n0.500000 0.055597 0.671064 Nd\n0.500000 0.944402 0.328936 Nd\n0.500000 0.555597 0.828937 Nd\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.183091 0.918810 S\n0.000000 0.658683 0.299880 S\n0.500000 0.816909 0.081190 S\n0.000000 0.841317 0.799880 S\n0.500000 0.316909 0.418810 S\n0.000000 0.158683 0.200120 S\n0.000000 0.341317 0.700120 S\n0.500000 0.683091 0.581191 S\n0.000000 0.000000 0.500000 S\n0.000000 0.500000 0.000000 S\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Nd-S-Sn",
"density": 5.321263151343293,
"density_atomic": 0.0451726137513841,
"volume": 354.19690540952496,
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"formula_full": "Nd4 Sn2 S10",
"formula_reduced": "Nd2SnS5",
"formula_anonymous": "AB2C5",
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"spacegroup": 55
},
{
"id": "jvasp-13351",
"created_at": "2022-09-04T14:36:56.598901Z",
"updated_at": "2022-09-04T14:36:56.598924Z",
"structure_string": "Sr2 Nd4 S8\n1.0\n7.514707 0.002818 -0.004881\n-2.502245 7.085872 0.004881\n-2.510215 -3.541527 6.134106\nSr Nd S\n2 4 8\ndirect\n0.125000 0.750000 0.875000 Sr\n0.375000 0.250000 0.625000 Sr\n0.250000 0.627474 0.377474 Nd\n0.622526 0.372526 0.250000 Nd\n0.750001 0.872526 0.122526 Nd\n0.877475 0.127474 0.750001 Nd\n0.990722 0.847265 0.491657 S\n0.509279 0.000935 0.856544 S\n0.143457 0.152735 0.144391 S\n0.356544 0.500935 0.009279 S\n0.644392 0.652735 0.643457 S\n0.508344 0.999065 0.355609 S\n0.855610 0.499065 0.008343 S\n0.991658 0.347265 0.490722 S\n",
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"density_atomic": 0.04285625052241286,
"volume": 326.6734683818948,
"volume_molar": 14.051954351094142,
"formula_full": "Sr2 Nd4 S8",
"formula_reduced": "Sr(NdS2)2",
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"spacegroup": 122
},
{
"id": "jvasp-13279",
"created_at": "2022-09-04T14:38:35.573363Z",
"updated_at": "2022-09-04T14:38:35.573390Z",
"structure_string": "Sr1 Nd5 S8\n1.0\n7.471232 0.000536 -0.000927\n-2.489906 7.044123 0.000927\n-2.491421 -3.521793 6.099926\nSr Nd S\n1 5 8\ndirect\n0.125000 0.750001 0.875001 Sr\n0.246906 0.624232 0.372541 Nd\n0.375000 0.250001 0.625000 Nd\n0.748309 0.875769 0.122675 Nd\n0.627459 0.374365 0.251690 Nd\n0.877325 0.125636 0.753094 Nd\n0.996593 0.853215 0.493724 S\n0.150470 0.154247 0.153520 S\n0.506276 0.002870 0.359490 S\n0.356620 0.497130 0.003406 S\n0.640509 0.646786 0.643380 S\n0.503778 0.003051 0.849531 S\n0.846480 0.496950 0.000727 S\n0.999273 0.345754 0.496222 S\n",
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"formula_full": "Sr1 Nd5 S8",
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{
"id": "jvasp-3138",
"created_at": "2022-09-04T14:35:44.526491Z",
"updated_at": "2022-09-04T14:35:44.526517Z",
"structure_string": "Nd2 Te1 S2\n1.0\n2.322030 -4.021875 0.000000\n2.322030 4.021875 0.000000\n0.000000 0.000000 7.761314\nNd Te S\n2 1 2\ndirect\n0.666667 0.333333 0.266197 Nd\n0.333333 0.666667 0.733803 Nd\n0.000000 0.000000 0.000000 Te\n0.333333 0.666667 0.364428 S\n0.666667 0.333333 0.635572 S\n",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
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"created_at": "2022-09-04T14:36:57.682447Z",
"updated_at": "2022-09-04T14:36:57.682476Z",
"structure_string": "Nd1 Tl1 S2\n1.0\n4.010996 -0.005954 6.716472\n1.848338 3.559743 6.716472\n-0.009816 -0.005954 7.822978\nNd Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500001 0.499999 Tl\n0.735489 0.735490 0.735488 S\n0.264511 0.264511 0.264510 S\n",
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},
{
"id": "jvasp-116602",
"created_at": "2022-09-04T14:38:42.519155Z",
"updated_at": "2022-09-04T14:38:42.519188Z",
"structure_string": "Nd2 Tm6 S12\n1.0\n3.936098 0.000000 0.000000\n-0.000000 10.368012 3.560549\n-0.000000 0.005262 11.240725\nNd Tm S\n2 6 12\ndirect\n0.250000 0.950269 0.696062 Nd\n0.750000 0.049731 0.303938 Nd\n0.250000 0.558142 0.833126 Tm\n0.750000 0.441857 0.166874 Tm\n0.250000 0.320178 0.501310 Tm\n0.750000 0.679821 0.498690 Tm\n0.250000 0.838730 0.087071 Tm\n0.750000 0.161269 0.912928 Tm\n0.750000 0.119346 0.535974 S\n0.250000 0.880653 0.464026 S\n0.750000 0.734163 0.728503 S\n0.250000 0.265837 0.271497 S\n0.750000 0.393360 0.942395 S\n0.750000 0.479335 0.387269 S\n0.750000 0.917601 0.906853 S\n0.250000 0.082399 0.093147 S\n0.250000 0.198288 0.750861 S\n0.250000 0.520664 0.612731 S\n0.250000 0.606640 0.057605 S\n0.750000 0.801712 0.249139 S\n",
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"volume": 458.65474868347263,
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"formula_full": "Nd2 Tm6 S12",
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"spacegroup": 11
}
]
}