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{
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{
"id": "oqmd-1557454",
"created_at": "2022-09-04T15:55:48.738331Z",
"updated_at": "2022-09-04T15:55:48.738360Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.728851 -1.916554 0.000000\n7.728851 1.916554 0.000000\n-1.535793 0.000000 9.421430\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.192485 0.192485 0.164275 Er\n0.807515 0.807515 0.835725 Er\n0.608114 0.608114 0.440658 Gd\n0.391886 0.391886 0.559342 Gd\n0.948831 0.948831 0.232561 Ho\n0.051169 0.051169 0.767439 Ho\n0.092962 0.092962 0.296773 N\n0.907038 0.907038 0.703227 N\n0.460811 0.460811 0.357417 O\n0.539189 0.539189 0.642583 O\n0.364766 0.364766 0.030594 S\n0.635234 0.635234 0.969406 S\n0.784918 0.784918 0.345845 Se\n0.215082 0.215082 0.654155 Se\n",
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{
"id": "oqmd-1557625",
"created_at": "2022-09-04T15:55:48.767759Z",
"updated_at": "2022-09-04T15:55:48.767785Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.656879 -1.959589 0.000000\n7.656879 1.959589 0.000000\n-1.336678 0.000000 9.623585\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.797197 0.797197 0.323399 Er\n0.202803 0.202803 0.676601 Er\n0.043559 0.043559 0.266924 Gd\n0.956441 0.956441 0.733076 Gd\n0.897910 0.897910 0.192316 N\n0.102090 0.102090 0.807684 N\n0.384041 0.384041 0.049933 Nd\n0.615959 0.615959 0.950067 Nd\n0.535711 0.535711 0.145904 O\n0.464289 0.464289 0.854096 O\n0.211794 0.211794 0.162455 S\n0.788206 0.788206 0.837545 S\n0.630431 0.630431 0.480270 Se\n0.369569 0.369569 0.519730 Se\n",
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"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557286",
"created_at": "2022-09-04T15:55:48.015441Z",
"updated_at": "2022-09-04T15:55:48.015459Z",
"structure_string": "Tb2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.575234 -1.931616 0.000000\n7.575234 1.931616 0.000000\n-1.520485 0.000000 9.553725\nHo N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.950348 0.950348 0.244263 Ho\n0.049652 0.049652 0.755737 Ho\n0.096637 0.096637 0.312736 N\n0.903363 0.903363 0.687264 N\n0.460286 0.460286 0.361471 O\n0.539714 0.539714 0.638529 O\n0.785701 0.785701 0.350636 S\n0.214299 0.214299 0.649364 S\n0.371002 0.371002 0.028894 Se\n0.628998 0.628998 0.971106 Se\n0.198696 0.198696 0.178820 Tb\n0.801304 0.801304 0.821180 Tb\n0.611871 0.611871 0.446845 Y\n0.388129 0.388129 0.553155 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.578194016114584,
"density_atomic": 0.050073558632336486,
"volume": 279.58867678637654,
"volume_molar": 12.026588332212173,
"formula_full": "Tb2 Y2 Ho2 Se2 S2 N2 O2",
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"formation_energy": -2.378157229033659,
"spacegroup": 12
},
{
"id": "oqmd-1557594",
"created_at": "2022-09-04T15:55:48.999523Z",
"updated_at": "2022-09-04T15:55:48.999539Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.704933 -1.921850 0.000000\n7.704933 1.921850 0.000000\n-1.426800 0.000000 9.426444\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.393801 0.393801 0.059195 Er\n0.606199 0.606199 0.940805 Er\n0.906021 0.906021 0.194635 N\n0.093979 0.093979 0.805365 N\n0.538784 0.538784 0.138117 O\n0.461216 0.461216 0.861883 O\n0.634652 0.634652 0.469708 S\n0.365348 0.365348 0.530292 S\n0.214780 0.214780 0.147107 Se\n0.785220 0.785220 0.852893 Se\n0.051075 0.051075 0.265361 Tb\n0.948925 0.948925 0.734639 Tb\n0.805568 0.805568 0.332212 Y\n0.194432 0.194432 0.667788 Y\n",
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"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557577",
"created_at": "2022-09-04T15:55:48.935936Z",
"updated_at": "2022-09-04T15:55:48.935956Z",
"structure_string": "Nd2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.822341 -1.934598 0.000000\n7.822341 1.934598 0.000000\n-1.592822 0.000000 9.546103\nDy Er N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.949190 0.949190 0.229946 Dy\n0.050810 0.050810 0.770054 Dy\n0.191667 0.191667 0.161620 Er\n0.808333 0.808333 0.838380 Er\n0.092981 0.092981 0.291129 N\n0.907019 0.907019 0.708871 N\n0.610122 0.610122 0.441119 Nd\n0.389878 0.389878 0.558881 Nd\n0.460432 0.460432 0.353163 O\n0.539568 0.539568 0.646837 O\n0.363720 0.363720 0.029919 S\n0.636280 0.636280 0.970081 S\n0.784639 0.784639 0.339401 Se\n0.215361 0.215361 0.660599 Se\n",
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"elements": [
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"density": 7.06957467105066,
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"formula_full": "Nd2 Dy2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557481",
"created_at": "2022-09-04T15:55:48.957521Z",
"updated_at": "2022-09-04T15:55:48.957534Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.534767 -1.924428 0.000000\n7.534767 1.924428 0.000000\n-1.388958 0.000000 9.461702\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.799546 0.799546 0.317888 Er\n0.200454 0.200454 0.682112 Er\n0.389094 0.389094 0.053211 Ho\n0.610906 0.610906 0.946789 Ho\n0.901964 0.901964 0.185902 N\n0.098036 0.098036 0.814098 N\n0.538930 0.538930 0.137604 O\n0.461070 0.461070 0.862396 O\n0.214469 0.214469 0.150712 S\n0.785531 0.785531 0.849288 S\n0.630839 0.630839 0.476549 Se\n0.369161 0.369161 0.523451 Se\n0.048967 0.048967 0.260270 Y\n0.951033 0.951033 0.739730 Y\n",
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"elements": [
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"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557759",
"created_at": "2022-09-04T15:55:40.285607Z",
"updated_at": "2022-09-04T15:55:40.285637Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.566283 -1.943002 0.000000\n7.566283 1.943002 0.000000\n-1.283749 0.000000 9.516799\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.389369 0.389369 0.052007 Er\n0.610631 0.610631 0.947993 Er\n0.046884 0.046884 0.260710 Gd\n0.953116 0.953116 0.739290 Gd\n0.900625 0.900625 0.180930 N\n0.099375 0.099375 0.819070 N\n0.537557 0.537557 0.137106 O\n0.462443 0.462443 0.862894 O\n0.212737 0.212737 0.147372 S\n0.787263 0.787263 0.852628 S\n0.628384 0.628384 0.478768 Se\n0.371616 0.371616 0.521232 Se\n0.797343 0.797343 0.316985 Tb\n0.202657 0.202657 0.683015 Tb\n",
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},
{
"id": "oqmd-1557416",
"created_at": "2022-09-04T15:55:49.064440Z",
"updated_at": "2022-09-04T15:55:49.064462Z",
"structure_string": "Dy2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.525221 -1.922126 0.000000\n7.525221 1.922126 0.000000\n-1.478256 0.000000 9.495104\nDy Er Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.801049 0.801049 0.319211 Dy\n0.198951 0.198951 0.680789 Dy\n0.389463 0.389463 0.053790 Er\n0.610537 0.610537 0.946210 Er\n0.050408 0.050408 0.255650 Ho\n0.949592 0.949592 0.744350 Ho\n0.903696 0.903696 0.185317 N\n0.096304 0.096304 0.814683 N\n0.539825 0.539825 0.136122 O\n0.460175 0.460175 0.863878 O\n0.214753 0.214753 0.147283 S\n0.785247 0.785247 0.852717 S\n0.629813 0.629813 0.471756 Se\n0.370187 0.370187 0.528244 Se\n",
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"formula_full": "Dy2 Ho2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557513",
"created_at": "2022-09-04T15:55:49.109777Z",
"updated_at": "2022-09-04T15:55:49.109806Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.832476 -1.939530 0.000000\n7.832476 1.939530 0.000000\n-1.570960 0.000000 9.555388\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.807786 0.807786 0.337560 Er\n0.192214 0.192214 0.662440 Er\n0.906488 0.906488 0.208142 N\n0.093512 0.093512 0.791858 N\n0.389905 0.389905 0.058756 Nd\n0.610095 0.610095 0.941244 Nd\n0.539418 0.539418 0.146521 O\n0.460582 0.460582 0.853479 O\n0.636740 0.636740 0.471382 S\n0.363260 0.363260 0.528618 S\n0.215380 0.215380 0.160015 Se\n0.784620 0.784620 0.839985 Se\n0.050769 0.050769 0.270877 Tb\n0.949231 0.949231 0.729123 Tb\n",
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},
{
"id": "oqmd-1557446",
"created_at": "2022-09-04T15:55:49.152727Z",
"updated_at": "2022-09-04T15:55:49.152752Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.730900 -1.921402 0.000000\n7.730900 1.921402 0.000000\n-1.615055 0.000000 9.502229\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.052708 0.052708 0.261563 Er\n0.947292 0.947292 0.738437 Er\n0.809620 0.809620 0.337057 Gd\n0.190380 0.190380 0.662943 Gd\n0.908791 0.908791 0.199528 N\n0.091209 0.091209 0.800472 N\n0.540078 0.540078 0.139666 O\n0.459922 0.459922 0.860334 O\n0.631530 0.631530 0.463434 S\n0.368470 0.368470 0.536566 S\n0.215399 0.215399 0.150531 Se\n0.784601 0.784601 0.849469 Se\n0.392889 0.392889 0.059148 Tb\n0.607111 0.607111 0.940852 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557608",
"created_at": "2022-09-04T15:55:49.213268Z",
"updated_at": "2022-09-04T15:55:49.213291Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.696037 -1.912713 0.000000\n7.696037 1.912713 0.000000\n-1.562579 0.000000 9.434420\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.947505 0.947505 0.237887 Er\n0.052495 0.052495 0.762113 Er\n0.606205 0.606205 0.440492 Ho\n0.393795 0.393795 0.559508 Ho\n0.091719 0.091719 0.302527 N\n0.908281 0.908281 0.697473 N\n0.460051 0.460051 0.361057 O\n0.539949 0.539949 0.638943 O\n0.367692 0.367692 0.034808 S\n0.632308 0.632308 0.965192 S\n0.784740 0.784740 0.351363 Se\n0.215260 0.215260 0.648637 Se\n0.191348 0.191348 0.165071 Tb\n0.808652 0.808652 0.834929 Tb\n",
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],
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557543",
"created_at": "2022-09-04T15:55:49.258113Z",
"updated_at": "2022-09-04T15:55:49.258139Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.677047 -1.908395 0.000000\n7.677047 1.908395 0.000000\n-1.511723 0.000000 9.391178\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.948589 0.948589 0.236439 Er\n0.051411 0.051411 0.763561 Er\n0.606470 0.606470 0.440538 Ho\n0.393530 0.393530 0.559462 Ho\n0.092490 0.092490 0.302040 N\n0.907510 0.907510 0.697960 N\n0.460825 0.460825 0.360088 O\n0.539175 0.539175 0.639912 O\n0.366610 0.366610 0.033900 S\n0.633390 0.633390 0.966100 S\n0.785548 0.785548 0.351389 Se\n0.214452 0.214452 0.648611 Se\n0.192877 0.192877 0.165548 Y\n0.807123 0.807123 0.834452 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
}
]
}