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{
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{
"id": "oqmd-1558422",
"created_at": "2022-09-04T15:55:42.780568Z",
"updated_at": "2022-09-04T15:55:42.780601Z",
"structure_string": "Gd2 Ho4 Se2 S2 N2 O2\n1.0\n7.563199 -1.937376 0.000000\n7.563199 1.937376 0.000000\n-1.233363 0.000000 9.491822\nGd Ho N O S Se\n2 4 2 2 2 2\ndirect\n0.954594 0.954594 0.237146 Gd\n0.045406 0.045406 0.762854 Gd\n0.203226 0.203226 0.183373 Ho\n0.611310 0.611310 0.447986 Ho\n0.388690 0.388690 0.552014 Ho\n0.796774 0.796774 0.816627 Ho\n0.100457 0.100457 0.317476 N\n0.899543 0.899543 0.682524 N\n0.463281 0.463281 0.361398 O\n0.536719 0.536719 0.638602 O\n0.787365 0.787365 0.349420 S\n0.212635 0.212635 0.650580 S\n0.370194 0.370194 0.019033 Se\n0.629806 0.629806 0.980967 Se\n",
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{
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"updated_at": "2022-09-04T15:56:54.696657Z",
"structure_string": "Y2 Er2 Tm2 Si2 Ni2 Ge4\n1.0\n5.202894 -2.087138 0.000000\n5.202894 2.087138 0.000000\n-4.779481 0.000000 12.824602\nEr Ge Ni Si Tm Y\n2 4 2 2 2 2\ndirect\n0.469021 0.469021 0.116179 Er\n0.530979 0.530979 0.883821 Er\n0.957809 0.957809 0.258556 Ge\n0.873916 0.873916 0.421062 Ge\n0.126084 0.126084 0.578938 Ge\n0.042191 0.042191 0.741444 Ge\n0.748358 0.748358 0.092641 Ni\n0.251642 0.251642 0.907359 Ni\n0.135845 0.135845 0.043776 Si\n0.864155 0.864155 0.956224 Si\n0.253417 0.253417 0.267609 Tm\n0.746583 0.746583 0.732391 Tm\n0.598152 0.598152 0.419837 Y\n0.401848 0.401848 0.580163 Y\n",
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{
"id": "oqmd-1558704",
"created_at": "2022-09-04T15:55:42.970665Z",
"updated_at": "2022-09-04T15:55:42.970685Z",
"structure_string": "Nd2 Gd2 Ho2 S4 N2 O2\n1.0\n7.656460 -1.932167 0.000000\n7.656460 1.932167 0.000000\n-1.740199 0.000000 9.573472\nGd Ho N Nd O S\n2 2 2 2 2 4\ndirect\n0.194871 0.194871 0.164056 Gd\n0.805129 0.805129 0.835944 Gd\n0.947449 0.947449 0.236547 Ho\n0.052551 0.052551 0.763453 Ho\n0.094086 0.094086 0.297137 N\n0.905914 0.905914 0.702863 N\n0.614273 0.614273 0.445378 Nd\n0.385727 0.385727 0.554622 Nd\n0.459604 0.459604 0.356037 O\n0.540396 0.540396 0.643963 O\n0.366622 0.366622 0.034633 S\n0.784811 0.784811 0.339852 S\n0.215189 0.215189 0.660148 S\n0.633378 0.633378 0.965367 S\n",
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"density": 6.5724581292941995,
"density_atomic": 0.049426048413019695,
"volume": 283.251452412533,
"volume_molar": 12.184143692162253,
"formula_full": "Nd2 Gd2 Ho2 S4 N2 O2",
"formula_reduced": "NdGdHoS2NO",
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},
{
"id": "oqmd-1558404",
"created_at": "2022-09-04T15:55:42.900945Z",
"updated_at": "2022-09-04T15:55:42.900975Z",
"structure_string": "Tb4 Gd2 Se2 S2 N2 O2\n1.0\n7.774960 -1.937447 0.000000\n7.774960 1.937447 0.000000\n-1.425149 0.000000 9.503482\nGd N O S Se Tb\n2 2 2 2 2 4\ndirect\n0.049659 0.049659 0.267313 Gd\n0.950341 0.950341 0.732687 Gd\n0.904911 0.904911 0.196220 N\n0.095089 0.095089 0.803780 N\n0.537993 0.537993 0.140500 O\n0.462007 0.462007 0.859500 O\n0.633105 0.633105 0.472101 S\n0.366895 0.366895 0.527899 S\n0.214330 0.214330 0.150656 Se\n0.785670 0.785670 0.849344 Se\n0.392409 0.392409 0.058059 Tb\n0.805700 0.805700 0.333471 Tb\n0.194300 0.194300 0.666529 Tb\n0.607591 0.607591 0.941941 Tb\n",
"nsites": 14,
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"elements": [
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"formula_full": "Tb4 Gd2 Se2 S2 N2 O2",
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{
"id": "oqmd-1558212",
"created_at": "2022-09-04T15:55:42.996979Z",
"updated_at": "2022-09-04T15:55:42.997003Z",
"structure_string": "Nd2 Gd2 Er2 Se4 N2 O2\n1.0\n7.853915 -1.971524 0.000000\n7.853915 1.971524 0.000000\n-1.337210 0.000000 9.723506\nEr Gd N Nd O Se\n2 2 2 2 2 4\ndirect\n0.195719 0.195719 0.171822 Er\n0.804281 0.804281 0.828178 Er\n0.955783 0.955783 0.233893 Gd\n0.044217 0.044217 0.766107 Gd\n0.098014 0.098014 0.303450 N\n0.901986 0.901986 0.696550 N\n0.611354 0.611354 0.445633 Nd\n0.388646 0.388646 0.554367 Nd\n0.463895 0.463895 0.354951 O\n0.536105 0.536105 0.645049 O\n0.368692 0.368692 0.023320 Se\n0.786811 0.786811 0.340263 Se\n0.213189 0.213189 0.659737 Se\n0.631308 0.631308 0.976680 Se\n",
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"formula_full": "Nd2 Gd2 Er2 Se4 N2 O2",
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},
{
"id": "oqmd-1558602",
"created_at": "2022-09-04T15:55:42.738650Z",
"updated_at": "2022-09-04T15:55:42.738679Z",
"structure_string": "Nd2 Dy2 Y2 Se4 N2 O2\n1.0\n7.811712 -1.972565 0.000000\n7.811712 1.972565 0.000000\n-1.489672 0.000000 9.800418\nDy N Nd O Se Y\n2 2 2 2 4 2\ndirect\n0.394344 0.394344 0.055953 Dy\n0.605656 0.605656 0.944047 Dy\n0.907500 0.907500 0.185278 N\n0.092500 0.092500 0.814722 N\n0.807562 0.807562 0.327886 Nd\n0.192438 0.192438 0.672114 Nd\n0.538721 0.538721 0.133850 O\n0.461279 0.461279 0.866150 O\n0.214615 0.214615 0.143295 Se\n0.625505 0.625505 0.461726 Se\n0.374495 0.374495 0.538274 Se\n0.785385 0.785385 0.856705 Se\n0.050021 0.050021 0.251466 Y\n0.949979 0.949979 0.748534 Y\n",
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},
{
"id": "oqmd-1558218",
"created_at": "2022-09-04T15:55:42.740132Z",
"updated_at": "2022-09-04T15:55:42.740155Z",
"structure_string": "Nd4 Dy2 Se2 S2 N2 O2\n1.0\n7.736610 -1.981640 0.000000\n7.736610 1.981640 0.000000\n-1.688544 0.000000 9.886115\nDy N Nd O S Se\n2 2 4 2 2 2\ndirect\n0.049595 0.049595 0.252706 Dy\n0.950405 0.950405 0.747294 Dy\n0.904809 0.904809 0.189860 N\n0.095191 0.095191 0.810140 N\n0.386135 0.386135 0.050986 Nd\n0.803967 0.803967 0.327975 Nd\n0.196033 0.196033 0.672025 Nd\n0.613865 0.613865 0.949014 Nd\n0.538925 0.538925 0.140094 O\n0.461075 0.461075 0.859906 O\n0.213731 0.213731 0.154396 S\n0.786269 0.786269 0.845604 S\n0.625701 0.625701 0.462874 Se\n0.374299 0.374299 0.537126 Se\n",
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},
{
"id": "oqmd-1558253",
"created_at": "2022-09-04T15:55:43.108192Z",
"updated_at": "2022-09-04T15:55:43.108209Z",
"structure_string": "Nd2 Dy4 Se2 S2 N2 O2\n1.0\n7.636483 -1.958457 0.000000\n7.636483 1.958457 0.000000\n-1.563624 0.000000 9.736199\nDy N Nd O S Se\n4 2 2 2 2 2\ndirect\n0.950303 0.950303 0.249557 Dy\n0.610364 0.610364 0.448626 Dy\n0.389636 0.389636 0.551374 Dy\n0.049697 0.049697 0.750443 Dy\n0.095578 0.095578 0.319498 N\n0.904422 0.904422 0.680502 N\n0.197978 0.197978 0.178343 Nd\n0.802022 0.802022 0.821657 Nd\n0.461203 0.461203 0.365047 O\n0.538797 0.538797 0.634953 O\n0.787019 0.787019 0.355013 S\n0.212981 0.212981 0.644987 S\n0.375278 0.375278 0.034322 Se\n0.624722 0.624722 0.965678 Se\n",
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{
"id": "oqmd-1588884",
"created_at": "2022-09-04T15:56:54.897223Z",
"updated_at": "2022-09-04T15:56:54.897250Z",
"structure_string": "Y2 Er2 Tm2 Si2 Ni2 Ge4\n1.0\n5.190003 -2.105565 0.000000\n5.190003 2.105565 0.000000\n-4.693801 0.000000 12.767061\nEr Ge Ni Si Tm Y\n2 4 2 2 2 2\ndirect\n0.531805 0.531805 0.381133 Er\n0.468195 0.468195 0.618867 Er\n0.040498 0.040498 0.234912 Ge\n0.860253 0.860253 0.455308 Ge\n0.139747 0.139747 0.544692 Ge\n0.959502 0.959502 0.765088 Ge\n0.246794 0.246794 0.399659 Ni\n0.753206 0.753206 0.600341 Ni\n0.115406 0.115406 0.072519 Si\n0.884594 0.884594 0.927481 Si\n0.397493 0.397493 0.076349 Tm\n0.602507 0.602507 0.923651 Tm\n0.744554 0.744554 0.224308 Y\n0.255446 0.255446 0.775692 Y\n",
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{
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"created_at": "2022-09-04T15:55:42.660100Z",
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"structure_string": "Nd2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.832797 -1.980178 0.000000\n7.832797 1.980178 0.000000\n-1.368051 0.000000 9.809012\nDy Gd N Nd O Se\n2 2 2 2 2 4\ndirect\n0.393707 0.393707 0.054493 Dy\n0.606293 0.606293 0.945507 Dy\n0.047319 0.047319 0.254248 Gd\n0.952681 0.952681 0.745752 Gd\n0.905144 0.905144 0.182550 N\n0.094856 0.094856 0.817450 N\n0.804775 0.804775 0.325892 Nd\n0.195225 0.195225 0.674108 Nd\n0.536985 0.536985 0.135215 O\n0.463015 0.463015 0.864785 O\n0.212890 0.212890 0.142870 Se\n0.625136 0.625136 0.467221 Se\n0.374864 0.374864 0.532779 Se\n0.787110 0.787110 0.857130 Se\n",
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{
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"structure_string": "Nd2 Dy4 Se2 S2 N2 O2\n1.0\n7.798710 -1.956984 0.000000\n7.798710 1.956984 0.000000\n-1.170287 0.000000 9.494817\nDy N Nd O S Se\n4 2 2 2 2 2\ndirect\n0.392733 0.392733 0.056459 Dy\n0.802343 0.802343 0.328712 Dy\n0.197657 0.197657 0.671288 Dy\n0.607267 0.607267 0.943541 Dy\n0.901098 0.901098 0.189709 N\n0.098902 0.098902 0.810291 N\n0.046604 0.046604 0.273984 Nd\n0.953396 0.953396 0.726016 Nd\n0.535776 0.535776 0.139349 O\n0.464224 0.464224 0.860651 O\n0.634010 0.634010 0.482309 S\n0.365990 0.365990 0.517691 S\n0.213648 0.213648 0.151380 Se\n0.786352 0.786352 0.848620 Se\n",
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},
{
"id": "oqmd-1557426",
"created_at": "2022-09-04T15:55:47.963281Z",
"updated_at": "2022-09-04T15:55:47.963306Z",
"structure_string": "Gd2 Er2 Tm2 S4 N2 O2\n1.0\n7.511558 -1.904071 0.000000\n7.511558 1.904071 0.000000\n-1.427514 0.000000 9.287394\nEr Gd N O S Tm\n2 2 2 2 4 2\ndirect\n0.800538 0.800538 0.324825 Er\n0.199462 0.199462 0.675175 Er\n0.052138 0.052138 0.267471 Gd\n0.947862 0.947862 0.732529 Gd\n0.903149 0.903149 0.190585 N\n0.096851 0.096851 0.809415 N\n0.539936 0.539936 0.137620 O\n0.460064 0.460064 0.862380 O\n0.215608 0.215608 0.149614 S\n0.636406 0.636406 0.476399 S\n0.363594 0.363594 0.523601 S\n0.784392 0.784392 0.850386 S\n0.390227 0.390227 0.056044 Tm\n0.609773 0.609773 0.943956 Tm\n",
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}
]
}