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{
"id": "jvasp-117269",
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{
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{
"id": "jvasp-117152",
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"updated_at": "2022-09-04T14:38:48.339884Z",
"structure_string": "Nd6 Ga2 Ni2 S14\n1.0\n9.787365 0.000000 0.000000\n-4.893683 8.476107 0.000000\n-0.000000 -0.000000 6.275144\nNd Ga Ni S\n6 2 2 14\ndirect\n0.835546 0.624175 0.676272 Nd\n0.788630 0.164455 0.676272 Nd\n0.375825 0.211370 0.676272 Nd\n0.164455 0.375825 0.176273 Nd\n0.211371 0.835546 0.176273 Nd\n0.624176 0.788630 0.176273 Nd\n0.333334 0.666667 0.600784 Ga\n0.666667 0.333333 0.100784 Ga\n0.000000 0.000000 0.996953 Ni\n0.000000 0.000000 0.496953 Ni\n0.873147 0.101658 0.262457 S\n0.101658 0.228511 0.762457 S\n0.771489 0.873147 0.762457 S\n0.126854 0.898342 0.762457 S\n0.666667 0.333333 0.461341 S\n0.333334 0.666667 0.961341 S\n0.914357 0.441066 0.955781 S\n0.085644 0.558934 0.455781 S\n0.441066 0.526710 0.455781 S\n0.526710 0.085643 0.955781 S\n0.228512 0.126853 0.262457 S\n0.558935 0.473291 0.955781 S\n0.473291 0.914357 0.455781 S\n0.898343 0.771489 0.262457 S\n",
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{
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"updated_at": "2022-09-04T14:36:04.222418Z",
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{
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"structure_string": "Nd6 Cu2 Ge2 Se14\n1.0\n10.612464 -0.000001 -0.000000\n-5.306231 9.190664 0.000000\n0.000000 0.000000 6.133223\nNd Cu Ge Se\n6 2 2 14\ndirect\n0.355930 0.131270 0.248709 Nd\n0.868730 0.224660 0.248709 Nd\n0.775340 0.644070 0.248709 Nd\n0.644069 0.868730 0.748709 Nd\n0.224659 0.355930 0.748709 Nd\n0.131270 0.775340 0.748709 Nd\n0.000000 0.000000 0.717532 Cu\n0.000000 0.000000 0.217532 Cu\n0.666667 0.333333 0.831490 Ge\n0.333333 0.666667 0.331490 Ge\n0.096445 0.518250 0.491245 Se\n0.903555 0.481750 0.991245 Se\n0.518250 0.421805 0.991245 Se\n0.095946 0.837852 0.229392 Se\n0.421805 0.903555 0.491245 Se\n0.258093 0.095946 0.729392 Se\n0.481750 0.578195 0.491245 Se\n0.578195 0.096445 0.991245 Se\n0.904054 0.162147 0.729392 Se\n0.162147 0.258093 0.229392 Se\n0.741907 0.904054 0.229392 Se\n0.666667 0.333333 0.447542 Se\n0.333333 0.666667 0.947542 Se\n0.837852 0.741907 0.729392 Se\n",
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{
"id": "jvasp-97847",
"created_at": "2022-09-04T14:36:07.055234Z",
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"structure_string": "Ce6 Cu2 Sn2 S14\n1.0\n9.990619 -0.000000 -0.000000\n-4.995309 8.652130 0.000000\n-0.000000 0.000000 6.320873\nCe Cu Sn S\n6 2 2 14\ndirect\n0.211465 0.363190 0.772357 Ce\n0.848275 0.211465 0.272357 Ce\n0.363190 0.151725 0.272357 Ce\n0.636810 0.848275 0.772357 Ce\n0.151725 0.788536 0.772357 Ce\n0.788536 0.636810 0.272357 Ce\n0.000000 0.000000 0.680575 Cu\n0.000000 0.000000 0.180575 Cu\n0.333333 0.666667 0.338969 Sn\n0.666667 0.333333 0.838969 Sn\n0.079095 0.519659 0.513328 S\n0.920905 0.480341 0.013328 S\n0.519659 0.440563 0.013328 S\n0.440563 0.920905 0.513328 S\n0.111048 0.853181 0.210280 S\n0.257867 0.111048 0.710280 S\n0.666667 0.333333 0.450459 S\n0.146819 0.257867 0.210280 S\n0.742133 0.888952 0.210280 S\n0.888952 0.146819 0.710280 S\n0.480341 0.559437 0.513328 S\n0.333333 0.666667 0.950458 S\n0.853181 0.742133 0.710280 S\n0.559437 0.079095 0.013328 S\n",
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"structure_string": "Ho6 Cu2 Si2 Se14\n1.0\n5.128660 -8.883100 0.000000\n5.128660 8.883100 0.000000\n-0.000000 0.000000 6.010988\nHo Cu Si Se\n6 2 2 14\ndirect\n0.778783 0.643261 0.769616 Ho\n0.643261 0.864479 0.269616 Ho\n0.135521 0.778783 0.269616 Ho\n0.864479 0.221217 0.769616 Ho\n0.356739 0.135521 0.769616 Ho\n0.221217 0.356739 0.269616 Ho\n0.000000 0.000000 0.823493 Cu\n0.000000 0.000000 0.323493 Cu\n0.666667 0.333333 0.181318 Si\n0.333333 0.666667 0.681319 Si\n0.333333 0.666667 0.059628 Se\n0.264037 0.102860 0.304572 Se\n0.521651 0.423713 0.025065 Se\n0.102860 0.838824 0.804573 Se\n0.576287 0.097938 0.025065 Se\n0.838824 0.735964 0.304572 Se\n0.478350 0.576287 0.525065 Se\n0.666667 0.333333 0.559628 Se\n0.897140 0.161176 0.304572 Se\n0.097938 0.521651 0.525065 Se\n0.161176 0.264037 0.804573 Se\n0.423713 0.902062 0.525065 Se\n0.902062 0.478349 0.025065 Se\n0.735964 0.897140 0.804573 Se\n",
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"structure_string": "Na2 Y6 Si2 S14\n1.0\n4.966997 -8.603091 0.000000\n4.966997 8.603091 -0.000000\n0.000000 0.000000 5.734027\nNa Y Si S\n2 6 2 14\ndirect\n0.000000 0.000000 0.965141 Na\n0.000000 0.000000 0.465140 Na\n0.362176 0.231227 0.245848 Y\n0.231227 0.869051 0.745849 Y\n0.869051 0.637824 0.245848 Y\n0.768773 0.130949 0.245848 Y\n0.130949 0.362176 0.745849 Y\n0.637824 0.768773 0.745849 Y\n0.333333 0.666667 0.331361 Si\n0.666667 0.333333 0.831361 Si\n0.477795 0.893075 0.483122 S\n0.893075 0.415281 0.983122 S\n0.584719 0.477795 0.983122 S\n0.522206 0.106926 0.983122 S\n0.333333 0.666667 0.961629 S\n0.666667 0.333333 0.461629 S\n0.834541 0.096879 0.712521 S\n0.106926 0.584719 0.483122 S\n0.737663 0.834542 0.212521 S\n0.096879 0.262338 0.212521 S\n0.415281 0.522206 0.483122 S\n0.262338 0.165459 0.712521 S\n0.903121 0.737663 0.712521 S\n0.165459 0.903121 0.212521 S\n",
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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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"nelements": 4,
"elements": [
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"Ag",
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],
"chemical_system": "Ag-Nd-S-Si",
"density": 4.966010304892295,
"density_atomic": 0.045247315113571704,
"volume": 530.4182124344726,
"volume_molar": 13.309388070616569,
"formula_full": "Nd6 Si2 Ag2 S14",
"formula_reduced": "Nd3SiAgS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.001913363333333,
"spacegroup": 173
},
{
"id": "jvasp-24936",
"created_at": "2022-09-04T14:38:18.991505Z",
"updated_at": "2022-09-04T14:38:18.991515Z",
"structure_string": "Dy6 Cu2 Si2 S14\n1.0\n4.934536 -8.546866 -0.000000\n4.934536 8.546866 0.000000\n-0.000000 0.000000 5.684005\nDy Cu Si S\n6 2 2 14\ndirect\n0.771493 0.129079 0.745323 Dy\n0.870922 0.642414 0.745323 Dy\n0.642414 0.771493 0.245323 Dy\n0.129079 0.357586 0.245323 Dy\n0.357586 0.228508 0.745323 Dy\n0.228508 0.870922 0.245323 Dy\n0.000000 0.000000 0.703733 Cu\n0.000000 0.000000 0.203734 Cu\n0.333333 0.666668 0.832297 Si\n0.666668 0.333333 0.332297 Si\n0.835509 0.095124 0.220100 S\n0.666668 0.333333 0.960689 S\n0.105136 0.582571 0.982781 S\n0.582571 0.477435 0.482781 S\n0.522566 0.105136 0.482781 S\n0.095124 0.259617 0.720099 S\n0.164492 0.904877 0.720099 S\n0.477435 0.894865 0.982781 S\n0.740384 0.835509 0.720099 S\n0.259617 0.164492 0.220100 S\n0.894865 0.417430 0.482781 S\n0.333333 0.666668 0.460690 S\n0.904877 0.740384 0.220100 S\n0.417430 0.522566 0.982781 S\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cu-Dy-S-Si",
"density": 5.566395515888095,
"density_atomic": 0.05005800968646727,
"volume": 479.4437523649323,
"volume_molar": 12.030324013517522,
"formula_full": "Dy6 Cu2 Si2 S14",
"formula_reduced": "Dy3CuSiS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.9147757125,
"spacegroup": 173
}
]
}