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{
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"results": [
{
"id": "oqmd-1557687",
"created_at": "2022-09-04T15:55:40.835859Z",
"updated_at": "2022-09-04T15:55:40.835887Z",
"structure_string": "Nd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.551183 -1.956421 0.000000\n7.551183 1.956421 0.000000\n-0.501790 0.000000 9.413323\nEr Ho N Nd O S Se\n2 2 2 2 2 2 2\ndirect\n0.386960 0.386960 0.045854 Er\n0.613040 0.613040 0.954146 Er\n0.785325 0.785325 0.312522 Ho\n0.214675 0.214675 0.687478 Ho\n0.889296 0.889296 0.170006 N\n0.110704 0.110704 0.829994 N\n0.029568 0.029568 0.276991 Nd\n0.970432 0.970432 0.723009 Nd\n0.529062 0.529062 0.142881 O\n0.470938 0.470938 0.857119 O\n0.205728 0.205728 0.154953 S\n0.794272 0.794272 0.845047 S\n0.375991 0.375991 0.496671 Se\n0.624009 0.624009 0.503329 Se\n",
"nsites": 14,
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"elements": [
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"density": 7.372917189386988,
"density_atomic": 0.05033589185744969,
"volume": 278.13155749078095,
"volume_molar": 11.963909921482252,
"formula_full": "Nd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdHoErSeSNO",
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"formation_energy": -2.45612092193842,
"spacegroup": 12
},
{
"id": "oqmd-1557811",
"created_at": "2022-09-04T15:55:40.871517Z",
"updated_at": "2022-09-04T15:55:40.871536Z",
"structure_string": "Tb2 Nd2 Er2 Se2 S2 N2 O2\n1.0\n7.832295 -1.935784 0.000000\n7.832295 1.935784 0.000000\n-1.703845 0.000000 9.618601\nEr N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051722 0.051722 0.264753 Er\n0.948278 0.948278 0.735247 Er\n0.909167 0.909167 0.208562 N\n0.090833 0.090833 0.791438 N\n0.390312 0.390312 0.059083 Nd\n0.609688 0.609688 0.940917 Nd\n0.539901 0.539901 0.145130 O\n0.460099 0.460099 0.854870 O\n0.633391 0.633391 0.463798 S\n0.366609 0.366609 0.536202 S\n0.215610 0.215610 0.159562 Se\n0.784390 0.784390 0.840438 Se\n0.810476 0.810476 0.340671 Tb\n0.189524 0.189524 0.659329 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"S",
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],
"chemical_system": "Er-N-Nd-O-S-Se-Tb",
"density": 6.96237636265654,
"density_atomic": 0.04799988510427479,
"volume": 291.6673648194459,
"volume_molar": 12.546156614578393,
"formula_full": "Tb2 Nd2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbNdErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.322554304271756,
"spacegroup": 12
},
{
"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",
"nsites": 14,
"nelements": 7,
"elements": [
"Gd",
"N",
"Nd",
"O",
"S",
"Se",
"Tb"
],
"chemical_system": "Gd-N-Nd-O-S-Se-Tb",
"density": 6.709295607199337,
"density_atomic": 0.047024854403859326,
"volume": 297.71490369252524,
"volume_molar": 12.806293259901649,
"formula_full": "Tb2 Nd2 Gd2 Se2 S2 N2 O2",
"formula_reduced": "TbNdGdSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3205842832003265,
"spacegroup": 12
},
{
"id": "oqmd-1558084",
"created_at": "2022-09-04T15:55:39.319293Z",
"updated_at": "2022-09-04T15:55:39.319312Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.672929 -1.956121 0.000000\n7.672929 1.956121 0.000000\n-1.543232 0.000000 9.697019\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.952722 0.952722 0.240945 Ho\n0.047278 0.047278 0.759055 Ho\n0.097615 0.097615 0.305579 N\n0.902385 0.902385 0.694421 N\n0.614781 0.614781 0.448176 Nd\n0.385219 0.385219 0.551824 Nd\n0.462013 0.462013 0.356294 O\n0.537987 0.537987 0.643706 O\n0.786923 0.786923 0.339949 S\n0.213077 0.213077 0.660051 S\n0.371130 0.371130 0.029305 Se\n0.628870 0.628870 0.970695 Se\n0.198719 0.198719 0.173692 Tb\n0.801281 0.801281 0.826308 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
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"Tb"
],
"chemical_system": "Ho-N-Nd-O-S-Se-Tb",
"density": 6.949652161795393,
"density_atomic": 0.04809532883512179,
"volume": 291.08855972259096,
"volume_molar": 12.521259144822212,
"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
"formula_reduced": "TbNdHoSeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
},
{
"id": "oqmd-1557674",
"created_at": "2022-09-04T15:55:39.731134Z",
"updated_at": "2022-09-04T15:55:39.731154Z",
"structure_string": "Y2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.547436 -1.921391 0.000000\n7.547436 1.921391 0.000000\n-1.488627 0.000000 9.488122\nEr Ho N O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.199000 0.199000 0.179394 Er\n0.801000 0.801000 0.820606 Er\n0.950251 0.950251 0.242000 Ho\n0.049749 0.049749 0.758000 Ho\n0.096734 0.096734 0.310392 N\n0.903266 0.903266 0.689608 N\n0.460025 0.460025 0.361105 O\n0.539975 0.539975 0.638895 O\n0.784997 0.784997 0.348353 S\n0.215003 0.215003 0.651647 S\n0.368665 0.368665 0.026794 Se\n0.631335 0.631335 0.973206 Se\n0.612047 0.612047 0.445955 Y\n0.387953 0.387953 0.554045 Y\n",
"nsites": 14,
"nelements": 7,
"elements": [
"Er",
"Ho",
"N",
"O",
"S",
"Se",
"Y"
],
"chemical_system": "Er-Ho-N-O-S-Se-Y",
"density": 6.784026376911801,
"density_atomic": 0.05087478520227111,
"volume": 275.18543703600784,
"volume_molar": 11.837181692378259,
"formula_full": "Y2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "YHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4794354655098494,
"spacegroup": 12
},
{
"id": "oqmd-1558090",
"created_at": "2022-09-04T15:55:39.324463Z",
"updated_at": "2022-09-04T15:55:39.324480Z",
"structure_string": "Tb2 Nd2 Dy2 Se2 S2 N2 O2\n1.0\n7.808644 -1.960693 0.000000\n7.808644 1.960693 0.000000\n-1.182763 0.000000 9.515233\nDy N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.607102 0.607102 0.443697 Dy\n0.392898 0.392898 0.556303 Dy\n0.098672 0.098672 0.310872 N\n0.901328 0.901328 0.689128 N\n0.953275 0.953275 0.226797 Nd\n0.046725 0.046725 0.773203 Nd\n0.464213 0.464213 0.360901 O\n0.535787 0.535787 0.639099 O\n0.366574 0.366574 0.018629 S\n0.633426 0.633426 0.981371 S\n0.786489 0.786489 0.349563 Se\n0.213511 0.213511 0.650437 Se\n0.197681 0.197681 0.171137 Tb\n0.802319 0.802319 0.828863 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"Nd",
"O",
"S",
"Se",
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],
"chemical_system": "Dy-N-Nd-O-S-Se-Tb",
"density": 6.915400446071131,
"density_atomic": 0.04804999986184118,
"volume": 291.3631642092485,
"volume_molar": 12.533071336764918,
"formula_full": "Tb2 Nd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbNdDySeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.3276903537955653,
"spacegroup": 12
},
{
"id": "oqmd-1557587",
"created_at": "2022-09-04T15:55:19.606982Z",
"updated_at": "2022-09-04T15:55:19.607010Z",
"structure_string": "Tb2 Dy2 Er2 Se2 S2 N2 O2\n1.0\n7.703258 -1.919908 0.000000\n7.703258 1.919908 0.000000\n-1.500266 0.000000 9.429449\nDy Er N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.051610 0.051610 0.264332 Dy\n0.948390 0.948390 0.735668 Dy\n0.394155 0.394155 0.059003 Er\n0.605845 0.605845 0.940997 Er\n0.906975 0.906975 0.195493 N\n0.093025 0.093025 0.804507 N\n0.539030 0.539030 0.138161 O\n0.460970 0.460970 0.861839 O\n0.632870 0.632870 0.468136 S\n0.367130 0.367130 0.531864 S\n0.214853 0.214853 0.147042 Se\n0.785147 0.785147 0.852958 Se\n0.806933 0.806933 0.332972 Tb\n0.193067 0.193067 0.667028 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"N",
"O",
"S",
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],
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"density": 7.498117959947368,
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"formula_full": "Tb2 Dy2 Er2 Se2 S2 N2 O2",
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"formation_energy": -2.3709290659384226,
"spacegroup": 12
},
{
"id": "oqmd-1557680",
"created_at": "2022-09-04T15:55:39.500604Z",
"updated_at": "2022-09-04T15:55:39.500631Z",
"structure_string": "Tb2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.716663 -1.915558 0.000000\n7.716663 1.915558 0.000000\n-1.580946 0.000000 9.465865\nEr N O S Se Tb Y\n2 2 2 2 2 2 2\ndirect\n0.947538 0.947538 0.236805 Er\n0.052462 0.052462 0.763195 Er\n0.091558 0.091558 0.299062 N\n0.908442 0.908442 0.700938 N\n0.459815 0.459815 0.359736 O\n0.540185 0.540185 0.640264 O\n0.366607 0.366607 0.035143 S\n0.633393 0.633393 0.964857 S\n0.784505 0.784505 0.347994 Se\n0.215495 0.215495 0.652006 Se\n0.607293 0.607293 0.440100 Tb\n0.392707 0.392707 0.559900 Tb\n0.191208 0.191208 0.163442 Y\n0.808792 0.808792 0.836558 Y\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.599841106528378,
"density_atomic": 0.0500279714256911,
"volume": 279.84344759600856,
"volume_molar": 12.037547372763193,
"formula_full": "Tb2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "TbYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.367828702128899,
"spacegroup": 12
},
{
"id": "oqmd-1558193",
"created_at": "2022-09-04T15:55:39.634287Z",
"updated_at": "2022-09-04T15:55:39.634315Z",
"structure_string": "Tb2 Nd2 Ho2 Se2 S2 N2 O2\n1.0\n7.634535 -1.956543 0.000000\n7.634535 1.956543 0.000000\n-1.650273 0.000000 9.765676\nHo N Nd O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.948905 0.948905 0.251384 Ho\n0.051095 0.051095 0.748616 Ho\n0.094266 0.094266 0.317150 N\n0.905734 0.905734 0.682850 N\n0.195816 0.195816 0.176078 Nd\n0.804184 0.804184 0.823922 Nd\n0.460264 0.460264 0.364964 O\n0.539736 0.539736 0.635036 O\n0.785802 0.785802 0.353266 S\n0.214198 0.214198 0.646734 S\n0.374983 0.374983 0.037988 Se\n0.625017 0.625017 0.962012 Se\n0.610889 0.610889 0.448251 Tb\n0.389111 0.389111 0.551749 Tb\n",
"nsites": 14,
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"elements": [
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],
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"volume": 291.7455863484315,
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"formula_full": "Tb2 Nd2 Ho2 Se2 S2 N2 O2",
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},
{
"id": "oqmd-1557753",
"created_at": "2022-09-04T15:55:40.025931Z",
"updated_at": "2022-09-04T15:55:40.025946Z",
"structure_string": "Gd2 Ho2 Er2 Se2 S2 N2 O2\n1.0\n7.720983 -1.914954 0.000000\n7.720983 1.914954 0.000000\n-1.571091 0.000000 9.443002\nEr Gd Ho N O S Se\n2 2 2 2 2 2 2\ndirect\n0.051852 0.051852 0.265302 Er\n0.948148 0.948148 0.734698 Er\n0.391946 0.391946 0.059640 Gd\n0.608054 0.608054 0.940360 Gd\n0.808514 0.808514 0.336687 Ho\n0.191486 0.191486 0.663313 Ho\n0.907778 0.907778 0.203088 N\n0.092222 0.092222 0.796912 N\n0.539794 0.539794 0.142103 O\n0.460206 0.460206 0.857897 O\n0.634067 0.634067 0.466924 S\n0.365933 0.365933 0.533076 S\n0.215243 0.215243 0.153818 Se\n0.784757 0.784757 0.846182 Se\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"Gd",
"Ho",
"N",
"O",
"S",
"Se"
],
"chemical_system": "Er-Gd-Ho-N-O-S-Se",
"density": 7.498472256461092,
"density_atomic": 0.05013684670611212,
"volume": 279.235750147272,
"volume_molar": 12.011407090079016,
"formula_full": "Gd2 Ho2 Er2 Se2 S2 N2 O2",
"formula_reduced": "GdHoErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.4612867301527066,
"spacegroup": 12
},
{
"id": "oqmd-1557742",
"created_at": "2022-09-04T15:55:39.768646Z",
"updated_at": "2022-09-04T15:55:39.768656Z",
"structure_string": "Nd2 Y2 Er2 Se2 S2 N2 O2\n1.0\n7.610804 -1.951901 0.000000\n7.610804 1.951901 0.000000\n-1.658744 0.000000 9.725913\nEr N Nd O S Se Y\n2 2 2 2 2 2 2\ndirect\n0.051511 0.051511 0.248492 Er\n0.948489 0.948489 0.751508 Er\n0.906067 0.906067 0.183429 N\n0.093933 0.093933 0.816571 N\n0.803841 0.803841 0.324256 Nd\n0.196159 0.196159 0.675744 Nd\n0.540600 0.540600 0.135736 O\n0.459400 0.459400 0.864264 O\n0.214011 0.214011 0.144715 S\n0.785989 0.785989 0.855285 S\n0.624339 0.624339 0.461869 Se\n0.375661 0.375661 0.538131 Se\n0.388971 0.388971 0.051982 Y\n0.611029 0.611029 0.948018 Y\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-N-Nd-O-S-Se-Y",
"density": 6.222703174093572,
"density_atomic": 0.04844838841556699,
"volume": 288.96730021058136,
"volume_molar": 12.43001254932356,
"formula_full": "Nd2 Y2 Er2 Se2 S2 N2 O2",
"formula_reduced": "NdYErSeSNO",
"formula_anonymous": "ABCDEFG",
"formation_energy": -2.433276554319374,
"spacegroup": 12
},
{
"id": "oqmd-1558389",
"created_at": "2022-09-04T15:55:43.422453Z",
"updated_at": "2022-09-04T15:55:43.422475Z",
"structure_string": "Tb2 Gd2 Dy2 Se2 S2 N2 O2\n1.0\n7.771168 -1.931884 0.000000\n7.771168 1.931884 0.000000\n-1.474679 0.000000 9.501814\nDy Gd N O S Se Tb\n2 2 2 2 2 2 2\ndirect\n0.806788 0.806788 0.335080 Dy\n0.193212 0.193212 0.664920 Dy\n0.391988 0.391988 0.059032 Gd\n0.608012 0.608012 0.940968 Gd\n0.905762 0.905762 0.199807 N\n0.094238 0.094238 0.800193 N\n0.538541 0.538541 0.141248 O\n0.461459 0.461459 0.858752 O\n0.633989 0.633989 0.470434 S\n0.366011 0.366011 0.529566 S\n0.214898 0.214898 0.152844 Se\n0.785102 0.785102 0.847156 Se\n0.050269 0.050269 0.266990 Tb\n0.949731 0.949731 0.733010 Tb\n",
"nsites": 14,
"nelements": 7,
"elements": [
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"O",
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],
"chemical_system": "Dy-Gd-N-O-S-Se-Tb",
"density": 7.213752629710859,
"density_atomic": 0.04907091677239467,
"volume": 285.3013744360252,
"volume_molar": 12.272321684822924,
"formula_full": "Tb2 Gd2 Dy2 Se2 S2 N2 O2",
"formula_reduced": "TbGdDySeSNO",
"formula_anonymous": "ABCDEFG",
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"spacegroup": 12
}
]
}