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{
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"results": [
{
"id": "oqmd-1557800",
"created_at": "2022-09-04T15:55:40.120860Z",
"updated_at": "2022-09-04T15:55:40.120891Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.750026 -1.933228 0.000000\n7.750026 1.933228 0.000000\n-1.726737 0.000000 9.622929\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.055413 0.055413 0.254631 Er\n0.944587 0.944587 0.745369 Er\n0.395070 0.395070 0.058315 Ho\n0.604930 0.604930 0.941685 Ho\n0.911497 0.911497 0.192902 N\n0.088503 0.088503 0.807098 N\n0.812256 0.812256 0.336653 Nd\n0.187744 0.187744 0.663347 Nd\n0.541323 0.541323 0.135353 O\n0.458677 0.458677 0.864647 O\n0.629263 0.629263 0.455866 S\n0.370737 0.370737 0.544134 S\n0.216266 0.216266 0.143513 Se\n0.783734 0.783734 0.856487 Se\n",
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},
{
"id": "oqmd-1557611",
"created_at": "2022-09-04T15:55:49.076950Z",
"updated_at": "2022-09-04T15:55:49.076980Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.645486 -1.948851 0.000000\n7.645486 1.948851 0.000000\n-1.643363 0.000000 9.689090\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.949695 0.949695 0.241802 Er\n0.050305 0.050305 0.758198 Er\n0.095416 0.095416 0.302793 N\n0.904584 0.904584 0.697207 N\n0.614515 0.614515 0.446754 Nd\n0.385485 0.385485 0.553246 Nd\n0.460183 0.460183 0.356843 O\n0.539817 0.539817 0.643157 O\n0.785863 0.785863 0.340544 S\n0.214137 0.214137 0.659456 S\n0.369403 0.369403 0.032056 Se\n0.630597 0.630597 0.967944 Se\n0.197052 0.197052 0.172955 Y\n0.802948 0.802948 0.827045 Y\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.04848767012178057,
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"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
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"formation_energy": -2.4379908936050887,
"spacegroup": 12
},
{
"id": "oqmd-1557785",
"created_at": "2022-09-04T15:55:40.167095Z",
"updated_at": "2022-09-04T15:55:40.167117Z",
"structure_string": "Tb2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.727247 -1.926905 0.000000\n7.727247 1.926905 0.000000\n-1.465541 0.000000 9.466149\nEr Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.605633 0.605633 0.441260 Er\n0.394367 0.394367 0.558740 Er\n0.193346 0.193346 0.167793 Gd\n0.806654 0.806654 0.832207 Gd\n0.093353 0.093353 0.306382 N\n0.906647 0.906647 0.693618 N\n0.461047 0.461047 0.362340 O\n0.538953 0.538953 0.637660 O\n0.367290 0.367290 0.031355 S\n0.632710 0.632710 0.968645 S\n0.785286 0.785286 0.354052 Se\n0.214714 0.214714 0.645948 Se\n0.948436 0.948436 0.236055 Tb\n0.051564 0.051564 0.763945 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.35697157573929,
"density_atomic": 0.04966376104268416,
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"volume_molar": 12.125825015194064,
"formula_full": "Tb2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3629530917717543,
"spacegroup": 12
},
{
"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,
"nelements": 7,
"elements": [
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},
{
"id": "oqmd-1557735",
"created_at": "2022-09-04T15:55:40.166518Z",
"updated_at": "2022-09-04T15:55:40.166542Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.704728 -1.917181 0.000000\n7.704728 1.917181 0.000000\n-1.574974 0.000000 9.461760\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.052627 0.052627 0.261062 Er\n0.947373 0.947373 0.738938 Er\n0.808981 0.808981 0.335119 Gd\n0.191019 0.191019 0.664881 Gd\n0.393905 0.393905 0.059174 Ho\n0.606095 0.606095 0.940826 Ho\n0.908534 0.908534 0.196481 N\n0.091466 0.091466 0.803519 N\n0.540004 0.540004 0.138716 O\n0.459996 0.459996 0.861284 O\n0.631477 0.631477 0.464094 S\n0.368523 0.368523 0.535906 S\n0.215114 0.215114 0.147855 Se\n0.784886 0.784886 0.852145 Se\n",
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"elements": [
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"density": 7.4906836701665025,
"density_atomic": 0.05008477007719979,
"volume": 279.5260910336744,
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"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557455",
"created_at": "2022-09-04T15:55:49.264301Z",
"updated_at": "2022-09-04T15:55:49.264312Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.539137 -1.927491 0.000000\n7.539137 1.927491 0.000000\n-1.494692 0.000000 9.532022\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.610390 0.610390 0.446395 Er\n0.389610 0.389610 0.553605 Er\n0.949471 0.949471 0.245238 Ho\n0.050529 0.050529 0.754762 Ho\n0.096021 0.096021 0.315328 N\n0.903979 0.903979 0.684672 N\n0.460191 0.460191 0.364197 O\n0.539809 0.539809 0.635803 O\n0.785443 0.785443 0.353597 S\n0.214557 0.214557 0.646403 S\n0.370878 0.370878 0.029191 Se\n0.629122 0.629122 0.970809 Se\n0.198789 0.198789 0.180561 Tb\n0.801211 0.801211 0.819439 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.5782216490460605,
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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557312",
"created_at": "2022-09-04T15:55:49.212797Z",
"updated_at": "2022-09-04T15:55:49.212823Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.573923 -1.961392 0.000000\n7.573923 1.961392 0.000000\n-0.683393 0.000000 9.456156\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.386632 0.386632 0.045843 Ho\n0.613368 0.613368 0.954157 Ho\n0.890188 0.890188 0.171782 N\n0.109812 0.109812 0.828218 N\n0.031555 0.031555 0.275390 Nd\n0.968445 0.968445 0.724610 Nd\n0.529648 0.529648 0.142485 O\n0.470352 0.470352 0.857515 O\n0.205752 0.205752 0.153514 S\n0.794248 0.794248 0.846486 S\n0.624528 0.624528 0.499858 Se\n0.375472 0.375472 0.500142 Se\n0.786079 0.786079 0.313653 Y\n0.213921 0.213921 0.686347 Y\n",
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],
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"formula_full": "Nd2 Y2 Ho2 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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"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557739",
"created_at": "2022-09-04T15:55:40.180459Z",
"updated_at": "2022-09-04T15:55:40.180489Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.612582 -1.957385 0.000000\n7.612582 1.957385 0.000000\n-1.581269 0.000000 9.691694\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.391046 0.391046 0.052200 Er\n0.608954 0.608954 0.947800 Er\n0.905213 0.905213 0.179618 N\n0.094787 0.094787 0.820382 N\n0.801856 0.801856 0.319742 Nd\n0.198144 0.198144 0.680258 Nd\n0.539604 0.539604 0.133591 O\n0.460396 0.460396 0.866409 O\n0.213550 0.213550 0.141146 S\n0.786450 0.786450 0.858854 S\n0.625388 0.625388 0.466259 Se\n0.374612 0.374612 0.533741 Se\n0.051479 0.051479 0.251045 Y\n0.948521 0.948521 0.748955 Y\n",
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},
{
"id": "oqmd-1557541",
"created_at": "2022-09-04T15:55:49.235352Z",
"updated_at": "2022-09-04T15:55:49.235372Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.535321 -1.932040 0.000000\n7.535321 1.932040 0.000000\n-1.282971 0.000000 9.459524\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.202639 0.202639 0.182414 Dy\n0.797361 0.797361 0.817586 Dy\n0.610957 0.610957 0.448093 Er\n0.389043 0.389043 0.551907 Er\n0.099867 0.099867 0.318113 N\n0.900133 0.900133 0.681887 N\n0.462813 0.462813 0.361750 O\n0.537187 0.537187 0.638250 O\n0.787643 0.787643 0.351058 S\n0.212357 0.212357 0.648942 S\n0.371785 0.371785 0.021243 Se\n0.628215 0.628215 0.978757 Se\n0.953823 0.953823 0.239229 Tb\n0.046177 0.046177 0.760771 Tb\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbDyErSeSNO",
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"spacegroup": 12
},
{
"id": "oqmd-1557812",
"created_at": "2022-09-04T15:55:40.313916Z",
"updated_at": "2022-09-04T15:55:40.313943Z",
"structure_string": "Nd2 Gd2 Er2 Se2 S2 N2 O2\n1.0\n7.629398 -1.956618 0.000000\n7.629398 1.956618 0.000000\n-1.696155 0.000000 9.758579\nEr Gd N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.051586 0.051586 0.249508 Er\n0.948414 0.948414 0.750492 Er\n0.388540 0.388540 0.051733 Gd\n0.611460 0.611460 0.948267 Gd\n0.906235 0.906235 0.185273 N\n0.093765 0.093765 0.814727 N\n0.803987 0.803987 0.324512 Nd\n0.196013 0.196013 0.675488 Nd\n0.540261 0.540261 0.136862 O\n0.459739 0.459739 0.863138 O\n0.213723 0.213723 0.146015 S\n0.786277 0.786277 0.853985 S\n0.624615 0.624615 0.462155 Se\n0.375385 0.375385 0.537845 Se\n",
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"elements": [
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],
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"density": 6.950897288553001,
"density_atomic": 0.04805240646798902,
"volume": 291.3485718832074,
"volume_molar": 12.532443643611808,
"formula_full": "Nd2 Gd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdGdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.437650352533659,
"spacegroup": 12
},
{
"id": "oqmd-1557341",
"created_at": "2022-09-04T15:55:49.345282Z",
"updated_at": "2022-09-04T15:55:49.345307Z",
"structure_string": "Tb2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.732568 -1.925846 0.000000\n7.732568 1.925846 0.000000\n-1.473171 0.000000 9.440021\nDy N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.806122 0.806122 0.333827 Dy\n0.193878 0.193878 0.666173 Dy\n0.905644 0.905644 0.198113 N\n0.094356 0.094356 0.801887 N\n0.538688 0.538688 0.140567 O\n0.461312 0.461312 0.859433 O\n0.634298 0.634298 0.470528 S\n0.365702 0.365702 0.529472 S\n0.214635 0.214635 0.150457 Se\n0.785365 0.785365 0.849543 Se\n0.050409 0.050409 0.266829 Tb\n0.949591 0.949591 0.733171 Tb\n0.392520 0.392520 0.058706 Y\n0.607480 0.607480 0.941294 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.512802384255833,
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"volume": 281.156585132605,
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"formula_full": "Tb2 Dy2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbDyYSeSNO",
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"spacegroup": 12
}
]
}