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{
"id": "mp-559779",
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"structure_string": "Nd24 Si8 S48 Cl8\n1.0\n10.479314 0.000000 0.000000\n0.000000 12.650273 0.000000\n0.000000 0.000000 16.390116\nNd Si S Cl\n24 8 48 8\ndirect\n0.250000 0.377066 0.638716 Nd\n0.963992 0.618120 0.888227 Nd\n0.250000 0.114978 0.124786 Nd\n0.463992 0.381880 0.111773 Nd\n0.250000 0.877066 0.861284 Nd\n0.536008 0.618120 0.888227 Nd\n0.250000 0.614978 0.375214 Nd\n0.543924 0.312391 0.405535 Nd\n0.043924 0.687609 0.594465 Nd\n0.956076 0.312391 0.405535 Nd\n0.456076 0.187609 0.905535 Nd\n0.956076 0.812391 0.094465 Nd\n0.456076 0.687609 0.594465 Nd\n0.036008 0.381880 0.111773 Nd\n0.963992 0.118120 0.611773 Nd\n0.536008 0.118120 0.611773 Nd\n0.750000 0.122934 0.138716 Nd\n0.043924 0.187609 0.905535 Nd\n0.463992 0.881880 0.388227 Nd\n0.036008 0.881880 0.388227 Nd\n0.750000 0.885022 0.875214 Nd\n0.543924 0.812391 0.094465 Nd\n0.750000 0.385022 0.624786 Nd\n0.750000 0.622934 0.361284 Nd\n0.250000 0.335688 0.277625 Si\n0.250000 0.835688 0.222375 Si\n0.750000 0.164312 0.777625 Si\n0.250000 0.616633 0.759344 Si\n0.750000 0.883367 0.259344 Si\n0.750000 0.664312 0.722375 Si\n0.250000 0.116633 0.740656 Si\n0.750000 0.383367 0.240656 Si\n0.750000 0.022585 0.707787 S\n0.009698 0.341629 0.569671 S\n0.750000 0.618517 0.597721 S\n0.250000 0.062508 0.953801 S\n0.582954 0.970836 0.229655 S\n0.509698 0.658371 0.430329 S\n0.250000 0.977415 0.292213 S\n0.409152 0.739621 0.253477 S\n0.990302 0.158371 0.069671 S\n0.490302 0.341629 0.569671 S\n0.750000 0.687868 0.972425 S\n0.250000 0.562508 0.546199 S\n0.250000 0.477415 0.207787 S\n0.090848 0.239621 0.246523 S\n0.417046 0.529164 0.729655 S\n0.250000 0.768682 0.698927 S\n0.750000 0.231318 0.301073 S\n0.750000 0.355390 0.112751 S\n0.750000 0.855390 0.387249 S\n0.082954 0.529164 0.729655 S\n0.250000 0.644610 0.887249 S\n0.750000 0.187868 0.527575 S\n0.917046 0.470836 0.270345 S\n0.090848 0.739621 0.253477 S\n0.990302 0.658371 0.430329 S\n0.750000 0.437492 0.453801 S\n0.750000 0.118517 0.902279 S\n0.250000 0.144610 0.612751 S\n0.509698 0.158371 0.069671 S\n0.250000 0.881483 0.097721 S\n0.250000 0.381483 0.402279 S\n0.917046 0.970836 0.229655 S\n0.250000 0.812132 0.472425 S\n0.009698 0.841629 0.930329 S\n0.417046 0.029164 0.770345 S\n0.590848 0.260379 0.746523 S\n0.409152 0.239621 0.246523 S\n0.590848 0.760379 0.753477 S\n0.750000 0.937492 0.046199 S\n0.082954 0.029164 0.770345 S\n0.250000 0.268682 0.801073 S\n0.909152 0.260379 0.746523 S\n0.490302 0.841629 0.930329 S\n0.582954 0.470836 0.270345 S\n0.909152 0.760379 0.753477 S\n0.750000 0.522585 0.792213 S\n0.250000 0.312132 0.027575 S\n0.750000 0.731318 0.198927 S\n0.956764 0.896691 0.559875 Cl\n0.543236 0.396691 0.940125 Cl\n0.543236 0.896691 0.559875 Cl\n0.043236 0.103309 0.440125 Cl\n0.956764 0.396691 0.940125 Cl\n0.456764 0.103309 0.440125 Cl\n0.043236 0.603309 0.059875 Cl\n0.456764 0.603309 0.059875 Cl\n",
"nsites": 88,
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"formula_full": "Nd24 Si8 S48 Cl8",
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"spacegroup": 62
},
{
"id": "mp-1097401",
"created_at": "2022-09-04T14:43:57.937336Z",
"structure_string": "Mg2 Cd1 Pd1\n1.0\n-5.594104 5.907252 8.340220\n5.594104 -5.907252 8.340220\n5.594104 5.907252 -8.340220\nMg Cd Pd\n2 1 1\ndirect\n0.000000 0.222684 0.222684 Mg\n0.000000 0.777316 0.777316 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Pd\n",
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},
{
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"structure_string": "Mg2 Cd4\n1.0\n6.663442 0.000000 0.000000\n0.000000 6.663442 0.000000\n0.000000 0.000000 4.444980\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.300790 0.300790 0.000000 Cd\n0.699210 0.699210 0.000000 Cd\n0.199210 0.800790 0.500000 Cd\n0.800790 0.199210 0.500000 Cd\n",
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{
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"structure_string": "Cs1 Ca1 Cl3\n1.0\n5.468631 0.000000 0.000000\n0.000000 5.468631 0.000000\n0.000000 0.000000 5.468631\nCs Ca Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Ca\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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{
"id": "mp-571259",
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"structure_string": "Tl8 Zn4 N48\n1.0\n6.667313 0.000000 0.000000\n0.000000 7.139044 0.000000\n0.000000 0.000000 20.883561\nTl Zn N\n8 4 48\ndirect\n0.315268 0.855512 0.490372 Tl\n0.295485 0.626028 0.302529 Tl\n0.684732 0.855512 0.990372 Tl\n0.704515 0.126028 0.697471 Tl\n0.684732 0.355512 0.509628 Tl\n0.295485 0.126028 0.197471 Tl\n0.704515 0.626028 0.802529 Tl\n0.315268 0.355512 0.009628 Tl\n0.066182 0.604162 0.633175 Zn\n0.066182 0.104162 0.866825 Zn\n0.933818 0.604162 0.133175 Zn\n0.933818 0.104162 0.366825 Zn\n0.061128 0.704740 0.050619 N\n0.516611 0.595847 0.633818 N\n0.938872 0.204740 0.949381 N\n0.061128 0.204740 0.449381 N\n0.332462 0.558739 0.159869 N\n0.039489 0.772567 0.710382 N\n0.832288 0.724041 0.387297 N\n0.516611 0.095847 0.866182 N\n0.483389 0.595847 0.133818 N\n0.699569 0.121999 0.101106 N\n0.720623 0.467096 0.943934 N\n0.633677 0.131534 0.395087 N\n0.170712 0.838575 0.053802 N\n0.804450 0.335277 0.269163 N\n0.195550 0.835277 0.730837 N\n0.657459 0.397562 0.248100 N\n0.938872 0.704740 0.550619 N\n0.633677 0.631534 0.104913 N\n0.720623 0.967096 0.556066 N\n0.167712 0.224041 0.612703 N\n0.366323 0.631534 0.604913 N\n0.972082 0.824520 0.375117 N\n0.366323 0.131534 0.895087 N\n0.195550 0.335277 0.769163 N\n0.279377 0.467096 0.443934 N\n0.167712 0.724041 0.887297 N\n0.039489 0.272567 0.789618 N\n0.027918 0.824520 0.875117 N\n0.342541 0.397562 0.748100 N\n0.027918 0.324520 0.624883 N\n0.342541 0.897562 0.751900 N\n0.667538 0.058739 0.840131 N\n0.483389 0.095847 0.366182 N\n0.300431 0.621999 0.898894 N\n0.657459 0.897562 0.251900 N\n0.170712 0.338575 0.446198 N\n0.279377 0.967096 0.056066 N\n0.699569 0.621999 0.398894 N\n0.804450 0.835277 0.230837 N\n0.960511 0.272567 0.289618 N\n0.332462 0.058739 0.340131 N\n0.829288 0.338575 0.946198 N\n0.829288 0.838575 0.553802 N\n0.972082 0.324520 0.124883 N\n0.832288 0.224041 0.112703 N\n0.667538 0.558739 0.659869 N\n0.960511 0.772567 0.210382 N\n0.300431 0.121999 0.601106 N\n",
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{
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"structure_string": "V1 Ni5 P6 O24\n1.0\n7.282952 -4.302561 0.000000\n7.282952 4.302561 0.000000\n4.741121 0.000000 7.005369\nV Ni P O\n1 5 6 24\ndirect\n0.854535 0.854535 0.854535 V\n0.001721 0.001721 0.001721 Ni\n0.359313 0.359313 0.359313 Ni\n0.500969 0.500969 0.500969 Ni\n0.143180 0.143180 0.143180 Ni\n0.641617 0.641617 0.641617 Ni\n0.748901 0.045705 0.452858 P\n0.045705 0.452858 0.748901 P\n0.452858 0.748901 0.045705 P\n0.547441 0.249837 0.952876 P\n0.952876 0.547441 0.249837 P\n0.249837 0.952876 0.547441 P\n0.893336 0.494826 0.676487 O\n0.494826 0.676487 0.893336 O\n0.676487 0.893336 0.494826 O\n0.911468 0.055223 0.259119 O\n0.825064 0.982711 0.621316 O\n0.597479 0.242757 0.453246 O\n0.055223 0.259119 0.911468 O\n0.242757 0.453246 0.597479 O\n0.390912 0.184357 0.989098 O\n0.453246 0.597479 0.242757 O\n0.749352 0.083819 0.931462 O\n0.989098 0.390912 0.184357 O\n0.982711 0.621316 0.825064 O\n0.259119 0.911468 0.055223 O\n0.564456 0.404912 0.752675 O\n0.621316 0.825064 0.982711 O\n0.752675 0.564456 0.404912 O\n0.931462 0.749352 0.083819 O\n0.404912 0.752675 0.564456 O\n0.184357 0.989098 0.390912 O\n0.083819 0.931462 0.749352 O\n0.310026 0.109084 0.517852 O\n0.517852 0.310026 0.109084 O\n0.109084 0.517852 0.310026 O\n",
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{
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{
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{
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