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{
"id": "oqmd-1558327",
"created_at": "2022-09-04T15:55:43.014121Z",
"updated_at": "2022-09-04T15:55:43.014133Z",
"structure_string": "Nd2 Gd2 Dy2 S4 N2 O2\n1.0\n7.641313 -1.948207 0.000000\n7.641313 1.948207 0.000000\n-1.337832 0.000000 9.470652\nDy Gd N Nd O S\n2 2 2 2 2 4\ndirect\n0.389234 0.389234 0.052720 Dy\n0.610766 0.610766 0.947280 Dy\n0.797426 0.797426 0.322611 Gd\n0.202574 0.202574 0.677389 Gd\n0.900093 0.900093 0.186261 N\n0.099907 0.099907 0.813739 N\n0.048983 0.048983 0.272533 Nd\n0.951017 0.951017 0.727467 Nd\n0.537275 0.537275 0.138633 O\n0.462725 0.462725 0.861367 O\n0.213266 0.213266 0.148946 S\n0.634776 0.634776 0.482666 S\n0.365224 0.365224 0.517334 S\n0.786734 0.786734 0.851054 S\n",
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{
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"structure_string": "Nd2 Dy4 Se2 S2 N2 O2\n1.0\n7.793552 -1.945729 0.000000\n7.793552 1.945729 0.000000\n-1.709884 0.000000 9.672709\nDy N Nd O S Se\n4 2 2 2 2 2\ndirect\n0.395146 0.395146 0.058496 Dy\n0.055139 0.055139 0.255757 Dy\n0.944861 0.944861 0.744243 Dy\n0.604854 0.604854 0.941504 Dy\n0.911035 0.911035 0.192612 N\n0.088965 0.088965 0.807388 N\n0.811937 0.811937 0.335606 Nd\n0.188063 0.188063 0.664394 Nd\n0.541010 0.541010 0.135335 O\n0.458990 0.458990 0.864665 O\n0.630612 0.630612 0.458189 S\n0.369388 0.369388 0.541811 S\n0.216736 0.216736 0.144525 Se\n0.783264 0.783264 0.855475 Se\n",
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{
"id": "oqmd-1558247",
"created_at": "2022-09-04T15:55:43.096708Z",
"updated_at": "2022-09-04T15:55:43.096736Z",
"structure_string": "Nd2 Ho2 Er2 Se4 N2 O2\n1.0\n7.777949 -1.960227 0.000000\n7.777949 1.960227 0.000000\n-1.540759 0.000000 9.793355\nEr Ho N Nd O Se\n2 2 2 2 2 4\ndirect\n0.395229 0.395229 0.056115 Er\n0.604771 0.604771 0.943885 Er\n0.051031 0.051031 0.248960 Ho\n0.948969 0.948969 0.751040 Ho\n0.908733 0.908733 0.183498 N\n0.091267 0.091267 0.816502 N\n0.808755 0.808755 0.326983 Nd\n0.191245 0.191245 0.673017 Nd\n0.539228 0.539228 0.133027 O\n0.460772 0.460772 0.866973 O\n0.214772 0.214772 0.141426 Se\n0.626046 0.626046 0.459763 Se\n0.373954 0.373954 0.540237 Se\n0.785228 0.785228 0.858574 Se\n",
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"elements": [
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"density_atomic": 0.04688080759394098,
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"formula_full": "Nd2 Ho2 Er2 Se4 N2 O2",
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{
"id": "oqmd-1558301",
"created_at": "2022-09-04T15:55:43.294179Z",
"updated_at": "2022-09-04T15:55:43.294195Z",
"structure_string": "Nd2 Dy2 Tm2 S4 N2 O2\n1.0\n7.615852 -1.914944 0.000000\n7.615852 1.914944 0.000000\n-1.741932 0.000000 9.494006\nDy N Nd O S Tm\n2 2 2 2 4 2\ndirect\n0.805540 0.805540 0.336918 Dy\n0.194460 0.194460 0.663082 Dy\n0.906583 0.906583 0.206301 N\n0.093417 0.093417 0.793699 N\n0.385723 0.385723 0.055592 Nd\n0.614277 0.614277 0.944408 Nd\n0.540975 0.540975 0.145269 O\n0.459025 0.459025 0.854731 O\n0.215395 0.215395 0.162561 S\n0.634056 0.634056 0.465143 S\n0.365944 0.365944 0.534857 S\n0.784605 0.784605 0.837439 S\n0.052912 0.052912 0.263943 Tm\n0.947088 0.947088 0.736057 Tm\n",
"nsites": 14,
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"elements": [
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{
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"created_at": "2022-09-04T15:55:43.303059Z",
"updated_at": "2022-09-04T15:55:43.303096Z",
"structure_string": "Gd2 Dy2 Er2 Se4 N2 O2\n1.0\n7.755887 -1.947396 0.000000\n7.755887 1.947396 0.000000\n-1.283992 0.000000 9.599396\nDy Er Gd N O Se\n2 2 2 2 2 4\ndirect\n0.044619 0.044619 0.262189 Dy\n0.955381 0.955381 0.737811 Dy\n0.803694 0.803694 0.326266 Er\n0.196306 0.196306 0.673734 Er\n0.390636 0.390636 0.055230 Gd\n0.609364 0.609364 0.944770 Gd\n0.902559 0.902559 0.191648 N\n0.097441 0.097441 0.808352 N\n0.536346 0.536346 0.141365 O\n0.463654 0.463654 0.858635 O\n0.213006 0.213006 0.153477 Se\n0.629769 0.629769 0.474434 Se\n0.370231 0.370231 0.525566 Se\n0.786994 0.786994 0.846523 Se\n",
"nsites": 14,
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"elements": [
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},
{
"id": "oqmd-1557745",
"created_at": "2022-09-04T15:55:38.204487Z",
"updated_at": "2022-09-04T15:55:38.204501Z",
"structure_string": "Tb2 Nd2 Er2 S4 N2 O2\n1.0\n7.596716 -1.932757 0.000000\n7.596716 1.932757 0.000000\n-1.661196 0.000000 9.539268\nEr N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.609147 0.609147 0.446746 Er\n0.390853 0.390853 0.553254 Er\n0.093903 0.093903 0.314319 N\n0.906097 0.906097 0.685681 N\n0.196346 0.196346 0.172338 Nd\n0.803654 0.803654 0.827662 Nd\n0.459802 0.459802 0.364668 O\n0.540198 0.540198 0.635332 O\n0.370110 0.370110 0.034871 S\n0.786059 0.786059 0.357127 S\n0.213941 0.213941 0.642873 S\n0.629890 0.629890 0.965129 S\n0.946511 0.946511 0.242272 Tb\n0.053489 0.053489 0.757728 Tb\n",
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"elements": [
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},
{
"id": "oqmd-1528459",
"created_at": "2022-09-04T15:55:06.890562Z",
"updated_at": "2022-09-04T15:55:06.890592Z",
"structure_string": "La1 Pr1 Nd1 Gd1 Zn12 Ge6\n1.0\n7.674744 0.000000 0.000000\n0.000000 4.103472 0.000000\n-0.001158 0.000000 13.293685\nGd Ge La Nd Pr Zn\n1 6 1 1 1 12\ndirect\n0.000252 0.000000 0.333431 Gd\n0.381668 0.500000 0.000854 Ge\n0.811638 0.500000 0.193656 Ge\n0.304088 0.500000 0.309683 Ge\n0.883393 0.500000 0.497388 Ge\n0.308293 0.500000 0.689760 Ge\n0.810708 0.500000 0.808651 Ge\n0.499945 0.000000 0.833238 La\n0.000569 0.000000 0.665165 Nd\n0.499343 0.000000 0.168159 Pr\n0.189106 0.000000 0.001283 Zn\n0.713340 0.500000 0.001385 Zn\n0.906057 0.000000 0.095817 Zn\n0.143237 0.500000 0.145203 Zn\n0.643456 0.500000 0.356051 Zn\n0.402419 0.000000 0.405502 Zn\n0.689478 0.000000 0.498777 Zn\n0.210453 0.500000 0.499192 Zn\n0.404613 0.000000 0.593444 Zn\n0.645697 0.500000 0.642644 Zn\n0.143749 0.500000 0.855532 Zn\n0.908404 0.000000 0.905186 Zn\n",
"nsites": 22,
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},
{
"id": "oqmd-1527007",
"created_at": "2022-09-04T15:55:06.494656Z",
"updated_at": "2022-09-04T15:55:06.494694Z",
"structure_string": "Dy1 Y2 Tm2 Lu2 Ni2 Te2\n1.0\n-1.920017 7.738258 4.747328\n1.920017 -7.738258 4.747328\n1.920017 7.738258 -4.747328\nDy Lu Ni Te Tm Y\n1 2 2 2 2 2\ndirect\n0.477597 0.477597 0.000000 Dy\n0.412200 0.097090 0.315110 Lu\n0.781981 0.097090 0.684890 Lu\n0.646733 0.407431 0.239301 Ni\n0.168130 0.407431 0.760699 Ni\n0.139268 0.139268 0.000000 Te\n0.742308 0.242308 0.500000 Te\n0.027402 0.894130 0.133271 Tm\n0.760859 0.894130 0.866729 Tm\n0.097447 0.744823 0.352624 Y\n0.392199 0.744823 0.647376 Y\n",
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{
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"created_at": "2022-09-04T15:55:07.106820Z",
"updated_at": "2022-09-04T15:55:07.106847Z",
"structure_string": "Cs1 Cr1 P2 Se3 S2 O2\n1.0\n4.479712 -5.675067 0.000000\n4.479712 5.675067 0.000000\n-1.892086 0.000000 6.682108\nCr Cs O P S Se\n1 1 2 2 2 3\ndirect\n0.457666 0.542334 0.000000 Cr\n0.151609 0.848391 0.500000 Cs\n0.506199 0.829820 0.110507 O\n0.170180 0.493801 0.889493 O\n0.429394 0.012257 0.112231 P\n0.987743 0.570606 0.887769 P\n0.669626 0.575861 0.323929 S\n0.424139 0.330374 0.676071 S\n0.093316 0.906684 0.000000 Se\n0.822538 0.361991 0.390379 Se\n0.638009 0.177462 0.609621 Se\n",
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{
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"structure_string": "Sr2 Ca2 Yb2 Pr1 Pb3 N2\n1.0\n2.466052 -12.845973 0.000000\n2.466052 12.845973 0.000000\n0.000000 0.000000 4.972618\nCa N Pb Pr Sr Yb\n2 2 3 1 2 2\ndirect\n0.599264 0.400736 0.000000 Ca\n0.400736 0.599264 0.000000 Ca\n0.903597 0.096403 0.000000 N\n0.096403 0.903597 0.000000 N\n0.698831 0.301169 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n0.301169 0.698831 0.500000 Pb\n0.000000 0.000000 0.000000 Pr\n0.802941 0.197059 0.000000 Sr\n0.197059 0.802941 0.000000 Sr\n0.902931 0.097069 0.500000 Yb\n0.097069 0.902931 0.500000 Yb\n",
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],
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"formula_full": "Sr2 Ca2 Yb2 Pr1 Pb3 N2",
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},
{
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"created_at": "2022-09-04T15:54:45.905957Z",
"updated_at": "2022-09-04T15:54:45.905985Z",
"structure_string": "Sr3 Ca2 Yb2 Sn1 Pb2 N2\n1.0\n2.460948 -12.827672 0.000000\n2.460948 12.827672 0.000000\n0.000000 0.000000 5.045080\nCa N Pb Sn Sr Yb\n2 2 2 1 3 2\ndirect\n0.593461 0.406539 0.000000 Ca\n0.406539 0.593461 0.000000 Ca\n0.602225 0.397775 0.500000 N\n0.397775 0.602225 0.500000 N\n0.795449 0.204551 0.000000 Pb\n0.204551 0.795449 0.000000 Pb\n0.000000 0.000000 0.000000 Sn\n0.697157 0.302843 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.302843 0.697157 0.500000 Sr\n0.903834 0.096166 0.500000 Yb\n0.096166 0.903834 0.500000 Yb\n",
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],
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"formula_full": "Sr3 Ca2 Yb2 Sn1 Pb2 N2",
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},
{
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"created_at": "2022-09-04T15:54:45.634605Z",
"updated_at": "2022-09-04T15:54:45.634625Z",
"structure_string": "Sr2 Ca2 Yb1 Pr2 Pb3 N2\n1.0\n2.601931 -12.283929 0.000000\n2.601931 12.283929 0.000000\n0.000000 0.000000 5.058318\nCa N Pb Pr Sr Yb\n2 2 3 2 2 1\ndirect\n0.699509 0.300491 0.000000 Ca\n0.300491 0.699509 0.000000 Ca\n0.600767 0.399233 0.000000 N\n0.399233 0.600767 0.000000 N\n0.000000 0.000000 0.500000 Pb\n0.803577 0.196423 0.500000 Pb\n0.196423 0.803577 0.500000 Pb\n0.597619 0.402381 0.500000 Pr\n0.402381 0.597619 0.500000 Pr\n0.899428 0.100572 0.000000 Sr\n0.100572 0.899428 0.000000 Sr\n0.500000 0.500000 0.000000 Yb\n",
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}
]
}