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{
"id": "oqmd-1557161",
"created_at": "2022-09-04T15:55:47.724535Z",
"updated_at": "2022-09-04T15:55:47.724549Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.694320 -1.967798 0.000000\n7.694320 1.967798 0.000000\n-1.593021 0.000000 9.727742\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.198040 0.198040 0.174145 Gd\n0.801960 0.801960 0.825855 Gd\n0.096933 0.096933 0.306208 N\n0.903067 0.903067 0.693792 N\n0.614333 0.614333 0.448184 Nd\n0.385667 0.385667 0.551816 Nd\n0.461068 0.461068 0.357633 O\n0.538932 0.538932 0.642367 O\n0.785956 0.785956 0.342096 S\n0.214044 0.214044 0.657904 S\n0.370962 0.370962 0.029557 Se\n0.629038 0.629038 0.970443 Se\n0.950889 0.950889 0.240746 Y\n0.049111 0.049111 0.759254 Y\n",
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{
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"created_at": "2022-09-04T15:55:47.883410Z",
"updated_at": "2022-09-04T15:55:47.883432Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.627455 -1.977049 0.000000\n7.627455 1.977049 0.000000\n-0.749659 0.000000 9.542719\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.614374 0.614374 0.453062 Gd\n0.385626 0.385626 0.546938 Gd\n0.108523 0.108523 0.323626 N\n0.891477 0.891477 0.676374 N\n0.965861 0.965861 0.225842 Nd\n0.034139 0.034139 0.774158 Nd\n0.469128 0.469128 0.356181 O\n0.530872 0.530872 0.643819 O\n0.792468 0.792468 0.343623 S\n0.207532 0.207532 0.656377 S\n0.373739 0.373739 0.004074 Se\n0.626261 0.626261 0.995926 Se\n0.211783 0.211783 0.183856 Y\n0.788217 0.788217 0.816144 Y\n",
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},
{
"id": "oqmd-1557332",
"created_at": "2022-09-04T15:55:48.241752Z",
"updated_at": "2022-09-04T15:55:48.241772Z",
"structure_string": "Nd2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.823097 -1.963427 0.000000\n7.823097 1.963427 0.000000\n-1.284494 0.000000 9.545584\nGd N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.392249 0.392249 0.057543 Gd\n0.607751 0.607751 0.942457 Gd\n0.902412 0.902412 0.194576 N\n0.097588 0.097588 0.805424 N\n0.048693 0.048693 0.274948 Nd\n0.951307 0.951307 0.725052 Nd\n0.537178 0.537178 0.140981 O\n0.462822 0.462822 0.859019 O\n0.637068 0.637068 0.479508 S\n0.362932 0.362932 0.520492 S\n0.213821 0.213821 0.150179 Se\n0.786179 0.786179 0.849821 Se\n0.802064 0.802064 0.329632 Y\n0.197936 0.197936 0.670368 Y\n",
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"elements": [
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"density": 6.018639470345134,
"density_atomic": 0.04774215981392252,
"volume": 293.24186535686084,
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"formula_full": "Nd2 Gd2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558012",
"created_at": "2022-09-04T15:55:41.346590Z",
"updated_at": "2022-09-04T15:55:41.346619Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.874747 -1.952498 0.000000\n7.874747 1.952498 0.000000\n-1.642879 0.000000 9.664094\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.190280 0.190280 0.160917 Gd\n0.809720 0.809720 0.839083 Gd\n0.092014 0.092014 0.294852 N\n0.907986 0.907986 0.705148 N\n0.609636 0.609636 0.441695 Nd\n0.390364 0.390364 0.558305 Nd\n0.460413 0.460413 0.356206 O\n0.539587 0.539587 0.643794 O\n0.365731 0.365731 0.034036 S\n0.634269 0.634269 0.965964 S\n0.784181 0.784181 0.342176 Se\n0.215819 0.215819 0.657824 Se\n0.948236 0.948236 0.234401 Tb\n0.051764 0.051764 0.765599 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"density": 6.7213909136683325,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558181",
"created_at": "2022-09-04T15:55:41.565438Z",
"updated_at": "2022-09-04T15:55:41.565462Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.698245 -1.969571 0.000000\n7.698245 1.969571 0.000000\n-1.491898 0.000000 9.735319\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199999 0.199999 0.175528 Gd\n0.800001 0.800001 0.824472 Gd\n0.098496 0.098496 0.308023 N\n0.901504 0.901504 0.691977 N\n0.614471 0.614471 0.448702 Nd\n0.385529 0.385529 0.551298 Nd\n0.462327 0.462327 0.356337 O\n0.537673 0.537673 0.643663 O\n0.787392 0.787392 0.341861 S\n0.212608 0.212608 0.658139 S\n0.371181 0.371181 0.026397 Se\n0.628819 0.628819 0.973603 Se\n0.953202 0.953202 0.239152 Tb\n0.046798 0.046798 0.760848 Tb\n",
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"elements": [
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"density": 6.766030498155324,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558198",
"created_at": "2022-09-04T15:55:41.626956Z",
"updated_at": "2022-09-04T15:55:41.626984Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.833626 -1.960004 0.000000\n7.833626 1.960004 0.000000\n-1.634112 0.000000 9.692861\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.053843 0.053843 0.258653 Gd\n0.946157 0.946157 0.741347 Gd\n0.909285 0.909285 0.192505 N\n0.090715 0.090715 0.807495 N\n0.809839 0.809839 0.334765 Nd\n0.190161 0.190161 0.665235 Nd\n0.540035 0.540035 0.136051 O\n0.459965 0.459965 0.863949 O\n0.631151 0.631151 0.461848 S\n0.368849 0.368849 0.538152 S\n0.215980 0.215980 0.145029 Se\n0.784020 0.784020 0.854971 Se\n0.394402 0.394402 0.058034 Tb\n0.605598 0.605598 0.941966 Tb\n",
"nsites": 14,
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"elements": [
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"density": 6.710822187821765,
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1558229",
"created_at": "2022-09-04T15:55:39.734092Z",
"updated_at": "2022-09-04T15:55:39.734110Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.651757 -1.978403 0.000000\n7.651757 1.978403 0.000000\n-0.836081 0.000000 9.569984\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.613757 0.613757 0.452817 Gd\n0.386243 0.386243 0.547183 Gd\n0.107687 0.107687 0.323658 N\n0.892313 0.892313 0.676342 N\n0.964510 0.964510 0.227064 Nd\n0.035490 0.035490 0.772936 Nd\n0.468501 0.468501 0.356823 O\n0.531499 0.531499 0.643177 O\n0.792000 0.792000 0.344794 S\n0.208000 0.208000 0.655206 S\n0.373849 0.373849 0.005114 Se\n0.626151 0.626151 0.994886 Se\n0.210554 0.210554 0.184632 Tb\n0.789446 0.789446 0.815368 Tb\n",
"nsites": 14,
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"elements": [
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"spacegroup": 12
},
{
"id": "oqmd-1558043",
"created_at": "2022-09-04T15:55:41.363814Z",
"updated_at": "2022-09-04T15:55:41.363849Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.705702 -1.970554 0.000000\n7.705702 1.970554 0.000000\n-1.450822 0.000000 9.718442\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.953451 0.953451 0.237274 Gd\n0.046549 0.046549 0.762726 Gd\n0.099250 0.099250 0.308032 N\n0.900750 0.900750 0.691968 N\n0.614608 0.614608 0.448713 Nd\n0.385392 0.385392 0.551287 Nd\n0.462616 0.462616 0.356407 O\n0.537384 0.537384 0.643593 O\n0.787053 0.787053 0.341094 S\n0.212947 0.212947 0.658906 S\n0.370071 0.370071 0.024123 Se\n0.629929 0.629929 0.975877 Se\n0.200490 0.200490 0.176441 Tb\n0.799510 0.799510 0.823559 Tb\n",
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},
{
"id": "oqmd-1558015",
"created_at": "2022-09-04T15:55:40.854054Z",
"updated_at": "2022-09-04T15:55:40.854082Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.833782 -1.956571 0.000000\n7.833782 1.956571 0.000000\n-1.690966 0.000000 9.711884\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.393822 0.393822 0.057827 Gd\n0.606178 0.606178 0.942173 Gd\n0.909984 0.909984 0.194445 N\n0.090016 0.090016 0.805555 N\n0.810906 0.810906 0.336236 Nd\n0.189094 0.189094 0.663764 Nd\n0.540313 0.540313 0.137040 O\n0.459687 0.459687 0.862960 O\n0.631031 0.631031 0.459846 S\n0.368969 0.368969 0.540154 S\n0.216127 0.216127 0.146476 Se\n0.783873 0.783873 0.853524 Se\n0.054085 0.054085 0.257849 Tb\n0.945915 0.945915 0.742151 Tb\n",
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"spacegroup": 12
},
{
"id": "oqmd-1558029",
"created_at": "2022-09-04T15:55:42.312821Z",
"updated_at": "2022-09-04T15:55:42.312841Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.830928 -1.966890 0.000000\n7.830928 1.966890 0.000000\n-1.232771 0.000000 9.564223\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.197689 0.197689 0.170632 Gd\n0.802311 0.802311 0.829368 Gd\n0.098218 0.098218 0.309605 N\n0.901782 0.901782 0.690395 N\n0.952893 0.952893 0.227207 Nd\n0.047107 0.047107 0.772793 Nd\n0.463941 0.463941 0.360426 O\n0.536059 0.536059 0.639574 O\n0.366562 0.366562 0.019947 S\n0.633438 0.633438 0.980053 S\n0.786750 0.786750 0.350653 Se\n0.213250 0.213250 0.649347 Se\n0.607307 0.607307 0.443821 Tb\n0.392693 0.392693 0.556179 Tb\n",
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"elements": [
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1558249",
"created_at": "2022-09-04T15:55:42.738638Z",
"updated_at": "2022-09-04T15:55:42.738672Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.675305 -1.970096 0.000000\n7.675305 1.970096 0.000000\n-1.573273 0.000000 9.784250\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.388563 0.388563 0.051032 Gd\n0.611437 0.611437 0.948968 Gd\n0.904097 0.904097 0.182396 N\n0.095903 0.095903 0.817604 N\n0.802318 0.802318 0.322819 Nd\n0.197682 0.197682 0.677181 Nd\n0.538583 0.538583 0.136056 O\n0.461417 0.461417 0.863944 O\n0.213526 0.213526 0.147426 S\n0.786474 0.786474 0.852574 S\n0.625332 0.625332 0.466072 Se\n0.374668 0.374668 0.533928 Se\n0.049609 0.049609 0.251839 Tb\n0.950391 0.950391 0.748161 Tb\n",
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"elements": [
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"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1558233",
"created_at": "2022-09-04T15:55:42.145459Z",
"updated_at": "2022-09-04T15:55:42.145474Z",
"structure_string": "Tb2 Nd2 Gd2 Se2 S2 N2 O2\n1.0\n7.675010 -1.972391 0.000000\n7.675010 1.972391 0.000000\n-1.451681 0.000000 9.744770\nGd N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952527 0.952527 0.245405 Gd\n0.047473 0.047473 0.754595 Gd\n0.097707 0.097707 0.319936 N\n0.902293 0.902293 0.680064 N\n0.200778 0.200778 0.179700 Nd\n0.799222 0.799222 0.820300 Nd\n0.462743 0.462743 0.363726 O\n0.537257 0.537257 0.636274 O\n0.788279 0.788279 0.354491 S\n0.211721 0.211721 0.645509 S\n0.374992 0.374992 0.028902 Se\n0.625008 0.625008 0.971098 Se\n0.611051 0.611051 0.449772 Tb\n0.388949 0.388949 0.550228 Tb\n",
"nsites": 14,
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"elements": [
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"volume_molar": 12.691016762659407,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
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}
]
}