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{
"id": "mp-1219656",
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{
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{
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"structure_string": "Y4 S6 O40\n1.0\n3.356688 6.763465 0.000000\n-3.356688 6.763465 0.000000\n0.000000 2.542445 17.949633\nY S O\n4 6 40\ndirect\n0.814331 0.842159 0.892154 Y\n0.185669 0.157841 0.107846 Y\n0.157841 0.185669 0.607846 Y\n0.842159 0.814331 0.392154 Y\n0.747239 0.802684 0.592108 S\n0.252761 0.197316 0.407892 S\n0.197316 0.252761 0.907892 S\n0.802684 0.747239 0.092108 S\n0.731659 0.268341 0.750000 S\n0.268341 0.731659 0.250000 S\n0.348895 0.281819 0.690624 O\n0.651105 0.718181 0.309376 O\n0.718181 0.651105 0.809376 O\n0.281819 0.348895 0.190624 O\n0.299280 0.391279 0.577877 O\n0.700720 0.608721 0.422123 O\n0.608721 0.700720 0.922123 O\n0.391279 0.299280 0.077877 O\n0.517691 0.871333 0.613825 O\n0.482309 0.128667 0.386175 O\n0.128667 0.482309 0.886175 O\n0.871333 0.517691 0.113825 O\n0.754247 0.892501 0.514940 O\n0.245753 0.107499 0.485060 O\n0.107499 0.245753 0.985060 O\n0.892501 0.754247 0.014940 O\n0.571482 0.363870 0.689585 O\n0.428518 0.636130 0.310415 O\n0.636130 0.428518 0.810415 O\n0.363870 0.571482 0.189585 O\n0.802644 0.889347 0.647060 O\n0.197356 0.110653 0.352940 O\n0.110653 0.197356 0.852940 O\n0.889347 0.802644 0.147060 O\n0.444869 0.099864 0.906024 O\n0.555131 0.900136 0.093976 O\n0.900136 0.555131 0.593976 O\n0.099864 0.444869 0.406024 O\n0.100424 0.870825 0.614985 O\n0.899576 0.129175 0.385015 O\n0.129175 0.899576 0.885015 O\n0.870825 0.100424 0.114985 O\n0.829665 0.095427 0.946142 O\n0.170335 0.904573 0.053858 O\n0.904573 0.170335 0.553858 O\n0.095427 0.829665 0.446142 O\n0.776554 0.057127 0.785181 O\n0.223446 0.942873 0.214819 O\n0.942873 0.223446 0.714819 O\n0.057127 0.776554 0.285181 O\n",
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{
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"created_at": "2022-09-04T14:47:00.245751Z",
"structure_string": "Gd2 Co2 Ni6 B2\n1.0\n5.001291 0.000000 0.000000\n-2.500646 4.331245 0.000000\n0.000000 0.000000 6.938553\nGd Co Ni B\n2 2 6 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.500000 0.500000 0.707143 Ni\n0.500000 0.000000 0.707143 Ni\n0.000000 0.500000 0.707143 Ni\n0.500000 0.500000 0.292857 Ni\n0.500000 0.000000 0.292857 Ni\n0.000000 0.500000 0.292857 Ni\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
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{
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"created_at": "2022-09-04T14:47:00.419905Z",
"structure_string": "Er4 Mn4 B16\n1.0\n3.379304 0.000000 0.000000\n0.000000 5.879814 0.000000\n0.000000 0.000000 11.369139\nEr Mn B\n4 4 16\ndirect\n0.000000 0.626296 0.349580 Er\n0.000000 0.373704 0.650420 Er\n0.000000 0.126296 0.150420 Er\n0.000000 0.873704 0.849580 Er\n0.000000 0.628468 0.084152 Mn\n0.000000 0.371532 0.915848 Mn\n0.000000 0.128468 0.415848 Mn\n0.000000 0.871532 0.584152 Mn\n0.500000 0.782492 0.184309 B\n0.500000 0.217508 0.815691 B\n0.500000 0.282492 0.315691 B\n0.500000 0.717508 0.684309 B\n0.500000 0.862959 0.032300 B\n0.500000 0.137041 0.967700 B\n0.500000 0.362959 0.467700 B\n0.500000 0.637041 0.532300 B\n0.500000 0.887385 0.453620 B\n0.500000 0.112615 0.546380 B\n0.500000 0.387385 0.046380 B\n0.500000 0.612615 0.953620 B\n0.500000 0.975715 0.308799 B\n0.500000 0.024285 0.691201 B\n0.500000 0.475715 0.191201 B\n0.500000 0.524285 0.808799 B\n",
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{
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{
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{
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"structure_string": "Zn6 Cu12 O24\n1.0\n5.919601 -0.002367 0.000770\n2.957751 5.127741 0.000749\n8.879230 5.126401 14.474806\nZn Cu O\n6 12 24\ndirect\n0.120097 0.120110 0.046596 Zn\n0.120873 0.120870 0.379069 Zn\n0.499725 0.499734 0.333715 Zn\n0.122612 0.122607 0.710653 Zn\n0.500623 0.500641 0.999342 Zn\n0.876704 0.876697 0.623325 Zn\n0.499500 0.499494 0.167100 Cu\n0.499533 0.999791 0.167072 Cu\n0.500261 0.500250 0.500020 Cu\n0.999796 0.499531 0.167067 Cu\n0.500472 0.999246 0.499991 Cu\n0.500005 0.500007 0.666703 Cu\n0.877686 0.877690 0.289086 Cu\n0.499551 0.499549 0.833632 Cu\n0.999247 0.500464 0.499983 Cu\n0.499530 0.999767 0.833679 Cu\n0.999783 0.499534 0.833688 Cu\n0.876046 0.876064 0.957277 Cu\n0.254376 0.254353 0.092557 O\n0.256342 0.256327 0.243881 O\n0.254046 0.713617 0.092628 O\n0.713616 0.254037 0.092630 O\n0.253067 0.253015 0.426334 O\n0.282888 0.748876 0.239887 O\n0.258617 0.258653 0.574880 O\n0.748862 0.282895 0.239886 O\n0.745028 0.745058 0.087972 O\n0.252833 0.715216 0.426207 O\n0.715222 0.252800 0.426216 O\n0.748536 0.748560 0.239975 O\n0.262732 0.262780 0.753610 O\n0.288789 0.739066 0.577929 O\n0.739024 0.288780 0.577942 O\n0.258437 0.258445 0.908224 O\n0.745912 0.745866 0.420817 O\n0.262512 0.713809 0.753506 O\n0.713796 0.262549 0.753507 O\n0.738805 0.738866 0.577822 O\n0.276170 0.749542 0.908384 O\n0.749588 0.276159 0.908379 O\n0.739353 0.739332 0.760511 O\n0.749399 0.749353 0.908313 O\n",
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"formula_full": "Zn6 Cu12 O24",
"formula_reduced": "Zn(CuO2)2",
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"spacegroup": 156
},
{
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"created_at": "2022-09-04T14:46:59.937115Z",
"structure_string": "Re2 Rh6\n1.0\n2.755969 -4.773479 0.000000\n2.755969 4.773479 0.000000\n0.000000 0.000000 4.366316\nRe Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n0.168959 0.337917 0.250000 Rh\n0.662083 0.831041 0.250000 Rh\n0.168959 0.831041 0.250000 Rh\n0.831041 0.662083 0.750000 Rh\n0.337917 0.168959 0.750000 Rh\n0.831041 0.168959 0.750000 Rh\n",
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],
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"volume": 114.88266551020291,
"volume_molar": 8.647994782330489,
"formula_full": "Re2 Rh6",
"formula_reduced": "ReRh3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "mp-1213233",
"created_at": "2022-09-04T14:47:00.132564Z",
"structure_string": "Dy8 Ni2\n1.0\n0.000000 5.294043 5.294043\n5.294043 0.000000 5.294043\n5.294043 5.294043 0.000000\nDy Ni\n8 2\ndirect\n0.387264 0.387264 0.387264 Dy\n0.387264 0.387264 0.838207 Dy\n0.387264 0.838207 0.387264 Dy\n0.862736 0.862736 0.411793 Dy\n0.862736 0.862736 0.862736 Dy\n0.838207 0.387264 0.387264 Dy\n0.862736 0.411793 0.862736 Dy\n0.411793 0.862736 0.862736 Dy\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n",
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],
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"formula_full": "Dy8 Ni2",
"formula_reduced": "Dy4Ni",
"formula_anonymous": "AB4",
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}
]
}