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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_anonymous&page=33",
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"results": [
{
"id": "oqmd-1557488",
"created_at": "2022-09-04T15:55:49.897831Z",
"updated_at": "2022-09-04T15:55:49.897860Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.662688 -1.954623 0.000000\n7.662688 1.954623 0.000000\n-1.501842 0.000000 9.644789\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.199837 0.199837 0.175866 Er\n0.800163 0.800163 0.824134 Er\n0.098408 0.098408 0.303952 N\n0.901592 0.901592 0.696048 N\n0.614891 0.614891 0.447698 Nd\n0.385109 0.385109 0.552302 Nd\n0.461667 0.461667 0.355523 O\n0.538333 0.538333 0.644477 O\n0.785951 0.785951 0.339474 S\n0.214049 0.214049 0.660526 S\n0.367638 0.367638 0.024488 Se\n0.632362 0.632362 0.975512 Se\n0.952087 0.952087 0.235931 Tb\n0.047913 0.047913 0.764069 Tb\n",
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},
{
"id": "oqmd-1557552",
"created_at": "2022-09-04T15:55:49.628032Z",
"updated_at": "2022-09-04T15:55:49.628070Z",
"structure_string": "Tb2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.531134 -1.929035 0.000000\n7.531134 1.929035 0.000000\n-1.304058 0.000000 9.456158\nEr Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.797911 0.797911 0.317629 Er\n0.202089 0.202089 0.682371 Er\n0.388574 0.388574 0.052713 Ho\n0.611426 0.611426 0.947287 Ho\n0.900446 0.900446 0.184426 N\n0.099554 0.099554 0.815574 N\n0.537705 0.537705 0.138661 O\n0.462295 0.462295 0.861339 O\n0.213280 0.213280 0.151202 S\n0.786720 0.786720 0.848798 S\n0.630240 0.630240 0.479312 Se\n0.369760 0.369760 0.520688 Se\n0.046660 0.046660 0.261961 Tb\n0.953340 0.953340 0.738039 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume_molar": 11.818655261946603,
"formula_full": "Tb2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3945431447479453,
"spacegroup": 12
},
{
"id": "oqmd-1557540",
"created_at": "2022-09-04T15:55:49.589374Z",
"updated_at": "2022-09-04T15:55:49.589392Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.810283 -1.952282 0.000000\n7.810283 1.952282 0.000000\n-1.188475 0.000000 9.467680\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.801690 0.801690 0.328637 Er\n0.198310 0.198310 0.671363 Er\n0.901605 0.901605 0.194250 N\n0.098395 0.098395 0.805750 N\n0.047772 0.047772 0.275859 Nd\n0.952228 0.952228 0.724141 Nd\n0.536487 0.536487 0.140467 O\n0.463513 0.463513 0.859533 O\n0.637684 0.637684 0.482776 S\n0.362316 0.362316 0.517224 S\n0.214199 0.214199 0.151230 Se\n0.785801 0.785801 0.848770 Se\n0.392495 0.392495 0.058091 Tb\n0.607505 0.607505 0.941909 Tb\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.033353518209076,
"density_atomic": 0.048489214484660356,
"volume": 288.72400076575633,
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"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557914",
"created_at": "2022-09-04T15:55:40.504964Z",
"updated_at": "2022-09-04T15:55:40.504979Z",
"structure_string": "Tb2 Dy2 Ho2 Se2 S2 N2 O2\n1.0\n7.566252 -1.936090 0.000000\n7.566252 1.936090 0.000000\n-1.331839 0.000000 9.504318\nDy Ho N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.611491 0.611491 0.448115 Dy\n0.388509 0.388509 0.551885 Dy\n0.201513 0.201513 0.182120 Ho\n0.798487 0.798487 0.817880 Ho\n0.099217 0.099217 0.315415 N\n0.900783 0.900783 0.684585 N\n0.462952 0.462952 0.360826 O\n0.537048 0.537048 0.639174 O\n0.786962 0.786962 0.347964 S\n0.213038 0.213038 0.652036 S\n0.370876 0.370876 0.021069 Se\n0.629124 0.629124 0.978931 Se\n0.953256 0.953256 0.238100 Tb\n0.046744 0.046744 0.761900 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"density": 7.482679632606379,
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"formula_full": "Tb2 Dy2 Ho2 Se2 S2 N2 O2",
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},
{
"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",
"nsites": 14,
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"elements": [
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],
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"density": 6.225723906717069,
"density_atomic": 0.04847190707351167,
"volume": 288.8270927481322,
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"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdYErSeSNO",
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"formation_energy": -2.43464536503366,
"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,
"density_atomic": 0.04979431654925324,
"volume": 281.156585132605,
"volume_molar": 12.094032366210506,
"formula_full": "Tb2 Dy2 Y2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557339",
"created_at": "2022-09-04T15:55:49.299970Z",
"updated_at": "2022-09-04T15:55:49.299997Z",
"structure_string": "Dy2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.709822 -1.917375 0.000000\n7.709822 1.917375 0.000000\n-1.556688 0.000000 9.438639\nDy Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.808437 0.808437 0.335194 Dy\n0.191563 0.191563 0.664806 Dy\n0.052160 0.052160 0.263694 Ho\n0.947840 0.947840 0.736306 Ho\n0.907798 0.907798 0.199572 N\n0.092202 0.092202 0.800428 N\n0.540337 0.540337 0.140087 O\n0.459663 0.459663 0.859913 O\n0.633349 0.633349 0.467421 S\n0.366651 0.366651 0.532579 S\n0.215738 0.215738 0.150843 Se\n0.784262 0.784262 0.849157 Se\n0.392759 0.392759 0.059482 Y\n0.607241 0.607241 0.940518 Y\n",
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"formula_full": "Dy2 Y2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557292",
"created_at": "2022-09-04T15:55:46.682767Z",
"updated_at": "2022-09-04T15:55:46.682780Z",
"structure_string": "Nd2 Y2 Ho2 Se2 S2 N2 O2\n1.0\n7.799791 -1.953671 0.000000\n7.799791 1.953671 0.000000\n-1.167927 0.000000 9.465133\nHo N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.801326 0.801326 0.328476 Ho\n0.198674 0.198674 0.671524 Ho\n0.901026 0.901026 0.192063 N\n0.098974 0.098974 0.807937 N\n0.046768 0.046768 0.275586 Nd\n0.953232 0.953232 0.724414 Nd\n0.536492 0.536492 0.140815 O\n0.463508 0.463508 0.859185 O\n0.635737 0.635737 0.483282 S\n0.364263 0.364263 0.516718 S\n0.213531 0.213531 0.150345 Se\n0.786469 0.786469 0.849655 Se\n0.392372 0.392372 0.057360 Y\n0.607628 0.607628 0.942640 Y\n",
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"density": 6.2067575413116165,
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"formula_full": "Nd2 Y2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557429",
"created_at": "2022-09-04T15:55:46.370468Z",
"updated_at": "2022-09-04T15:55:46.370488Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.764375 -1.944599 0.000000\n7.764375 1.944599 0.000000\n-1.576637 0.000000 9.610028\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.395238 0.395238 0.057416 Er\n0.604762 0.604762 0.942584 Er\n0.908546 0.908546 0.189350 N\n0.091454 0.091454 0.810650 N\n0.808539 0.808539 0.333396 Nd\n0.191461 0.191461 0.666604 Nd\n0.539706 0.539706 0.135288 O\n0.460294 0.460294 0.864712 O\n0.629306 0.629306 0.462389 S\n0.370694 0.370694 0.537611 S\n0.214690 0.214690 0.141712 Se\n0.785310 0.785310 0.858288 Se\n0.052964 0.052964 0.258406 Tb\n0.947036 0.947036 0.741594 Tb\n",
"nsites": 14,
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"elements": [
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},
{
"id": "oqmd-1557366",
"created_at": "2022-09-04T15:55:46.119035Z",
"updated_at": "2022-09-04T15:55:46.119055Z",
"structure_string": "Tb2 Nd2 Y2 Se2 S2 N2 O2\n1.0\n7.842294 -1.948053 0.000000\n7.842294 1.948053 0.000000\n-1.609407 0.000000 9.616746\nN Nd O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.092883 0.092883 0.293080 N\n0.907117 0.907117 0.706920 N\n0.609988 0.609988 0.441430 Nd\n0.390012 0.390012 0.558570 Nd\n0.460516 0.460516 0.355391 O\n0.539484 0.539484 0.644609 O\n0.366058 0.366058 0.033215 S\n0.633942 0.633942 0.966785 S\n0.784903 0.784903 0.340985 Se\n0.215097 0.215097 0.659015 Se\n0.191548 0.191548 0.160221 Tb\n0.808452 0.808452 0.839779 Tb\n0.948937 0.948937 0.232436 Y\n0.051063 0.051063 0.767564 Y\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb2 Nd2 Y2 Se2 S2 N2 O2",
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"spacegroup": 12
},
{
"id": "oqmd-1557160",
"created_at": "2022-09-04T15:55:45.984481Z",
"updated_at": "2022-09-04T15:55:45.984504Z",
"structure_string": "Gd2 Dy2 Y2 Se2 S2 N2 O2\n1.0\n7.572654 -1.943954 0.000000\n7.572654 1.943954 0.000000\n-1.236848 0.000000 9.512956\nDy Gd N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.387847 0.387847 0.051350 Dy\n0.612153 0.612153 0.948650 Dy\n0.044607 0.044607 0.262520 Gd\n0.955393 0.955393 0.737480 Gd\n0.899048 0.899048 0.182634 N\n0.100952 0.100952 0.817366 N\n0.536386 0.536386 0.139429 O\n0.463614 0.463614 0.860571 O\n0.211546 0.211546 0.150877 S\n0.788454 0.788454 0.849123 S\n0.628637 0.628637 0.480027 Se\n0.371363 0.371363 0.519973 Se\n0.795935 0.795935 0.318361 Y\n0.204065 0.204065 0.681639 Y\n",
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"elements": [
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"volume_molar": 12.047652945513224,
"formula_full": "Gd2 Dy2 Y2 Se2 S2 N2 O2",
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"formula_anonymous": "ABCDEFG",
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},
{
"id": "oqmd-1557379",
"created_at": "2022-09-04T15:55:49.546234Z",
"updated_at": "2022-09-04T15:55:49.546260Z",
"structure_string": "Tb2 Gd2 Y2 Se2 S2 N2 O2\n1.0\n7.594539 -1.948106 0.000000\n7.594539 1.948106 0.000000\n-1.288991 0.000000 9.538527\nGd N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.045315 0.045315 0.261754 Gd\n0.954685 0.954685 0.738246 Gd\n0.899444 0.899444 0.183009 N\n0.100556 0.100556 0.816991 N\n0.537142 0.537142 0.139537 O\n0.462858 0.462858 0.860463 O\n0.212014 0.212014 0.150384 S\n0.787986 0.787986 0.849616 S\n0.628057 0.628057 0.479333 Se\n0.371943 0.371943 0.520667 Se\n0.796798 0.796798 0.318754 Tb\n0.203202 0.203202 0.681246 Tb\n0.387583 0.387583 0.051187 Y\n0.612417 0.612417 0.948813 Y\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Tb2 Gd2 Y2 Se2 S2 N2 O2",
"formula_reduced": "TbGdYSeSNO",
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"spacegroup": 12
}
]
}