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{
"id": "mp-782062",
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"structure_string": "Y4 Nb8 N4 O20\n1.0\n5.294446 0.000000 0.000000\n0.034678 5.943408 0.000000\n0.182784 0.084463 15.042003\nY Nb N O\n4 8 4 20\ndirect\n0.250522 0.701823 0.001410 Y\n0.749478 0.298177 0.998590 Y\n0.749777 0.793482 0.497016 Y\n0.250223 0.206518 0.502984 Y\n0.720275 0.812818 0.162661 Nb\n0.232887 0.185087 0.169935 Nb\n0.216299 0.678239 0.334013 Nb\n0.747746 0.327445 0.337575 Nb\n0.252254 0.672555 0.662425 Nb\n0.783701 0.321761 0.665987 Nb\n0.767113 0.814913 0.830065 Nb\n0.279725 0.187182 0.837339 Nb\n0.608494 0.612175 0.082085 N\n0.034480 0.422186 0.402139 N\n0.965520 0.577814 0.597861 N\n0.391506 0.387825 0.917915 N\n0.102798 0.385116 0.085527 O\n0.037812 0.919491 0.101501 O\n0.536757 0.090838 0.100704 O\n0.395837 0.868737 0.242636 O\n0.916896 0.141713 0.247576 O\n0.400203 0.372624 0.255153 O\n0.903685 0.632348 0.256602 O\n0.531869 0.592597 0.397885 O\n0.103618 0.895172 0.416138 O\n0.601111 0.118045 0.419119 O\n0.398889 0.881955 0.580881 O\n0.896382 0.104828 0.583862 O\n0.468131 0.407403 0.602115 O\n0.599797 0.627376 0.744847 O\n0.096315 0.367652 0.743398 O\n0.083104 0.858287 0.752424 O\n0.604163 0.131263 0.757364 O\n0.463243 0.909162 0.899296 O\n0.962188 0.080509 0.898499 O\n0.897202 0.614884 0.914473 O\n",
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{
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"structure_string": "Ag4 Br4 O16\n1.0\n8.669935 0.000000 0.000000\n0.000000 5.844422 0.000000\n0.000000 5.470160 7.407385\nAg Br O\n4 4 16\ndirect\n0.533438 0.914488 0.335222 Ag\n0.033438 0.085512 0.164778 Ag\n0.966562 0.914488 0.835222 Ag\n0.466562 0.085512 0.664778 Ag\n0.686245 0.404217 0.840339 Br\n0.186245 0.595783 0.659661 Br\n0.813755 0.404217 0.340339 Br\n0.313755 0.595783 0.159661 Br\n0.776233 0.727632 0.282766 O\n0.621807 0.436305 0.657012 O\n0.849374 0.211316 0.905409 O\n0.055195 0.755881 0.497614 O\n0.555195 0.244119 0.002386 O\n0.349374 0.788684 0.594591 O\n0.121807 0.563695 0.842988 O\n0.723767 0.727632 0.782766 O\n0.276233 0.272368 0.217234 O\n0.878193 0.436305 0.157012 O\n0.650626 0.211316 0.405409 O\n0.444805 0.755881 0.997614 O\n0.944805 0.244119 0.502386 O\n0.150626 0.788684 0.094591 O\n0.378193 0.563695 0.342988 O\n0.223767 0.272368 0.717234 O\n",
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{
"id": "mp-1223248",
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"structure_string": "La2 Sn4 Ru1\n1.0\n0.000047 -0.000645 4.690495\n4.759493 -0.006011 0.000006\n2.368639 8.568756 -0.001055\nLa Sn Ru\n2 4 1\ndirect\n0.249959 0.898654 0.205360 La\n0.750506 0.104899 0.794595 La\n0.250235 0.541591 0.913380 Sn\n0.750125 0.427167 0.149429 Sn\n0.250267 0.259312 0.477488 Sn\n0.749502 0.761577 0.478592 Sn\n0.249406 0.691800 0.611156 Ru\n",
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{
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"structure_string": "Li4 V4 S4 O16 F12\n1.0\n10.337984 0.000000 0.000000\n0.000000 7.071486 0.000000\n0.000000 0.078689 8.056651\nLi V S O F\n4 4 4 16 12\ndirect\n0.477180 0.675956 0.578860 Li\n0.522820 0.675956 0.078860 Li\n0.021293 0.808632 0.572458 Li\n0.978707 0.808632 0.072458 Li\n0.743527 0.000657 0.506906 V\n0.256473 0.000657 0.006906 V\n0.756909 0.500158 0.507230 V\n0.243091 0.500158 0.007230 V\n0.251265 0.255502 0.680519 S\n0.748735 0.255502 0.180519 S\n0.748996 0.747295 0.838376 S\n0.251004 0.747295 0.338376 S\n0.312357 0.103561 0.798309 O\n0.687643 0.103561 0.298309 O\n0.151506 0.164527 0.586473 O\n0.848494 0.164527 0.086473 O\n0.354197 0.353969 0.594302 O\n0.645803 0.353969 0.094302 O\n0.187137 0.401001 0.799965 O\n0.812863 0.401001 0.299965 O\n0.689886 0.598706 0.723467 O\n0.310114 0.598706 0.223467 O\n0.856435 0.670167 0.934190 O\n0.143565 0.670167 0.434190 O\n0.642970 0.820043 0.937921 O\n0.357030 0.820043 0.437921 O\n0.806835 0.901127 0.725657 O\n0.193165 0.901127 0.225657 O\n0.083425 0.998853 0.951984 F\n0.916575 0.998853 0.451984 F\n0.748660 0.249636 0.605807 F\n0.251340 0.249636 0.105807 F\n0.414755 0.505842 0.946766 F\n0.585245 0.505842 0.446766 F\n0.918008 0.555057 0.582149 F\n0.081992 0.555057 0.082149 F\n0.247437 0.751680 0.899177 F\n0.752563 0.751680 0.399177 F\n0.581735 0.943682 0.577268 F\n0.418265 0.943682 0.077268 F\n",
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"formula_full": "Li4 V4 S4 O16 F12",
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},
{
"id": "mp-1076139",
"created_at": "2022-09-04T14:39:49.253924Z",
"structure_string": "Ca7 Mg1 Fe1 Co7 O24\n1.0\n5.342408 -5.347310 0.000000\n5.342408 5.347310 0.000000\n-0.009809 0.000000 7.558766\nCa Mg Fe Co O\n7 1 1 7 24\ndirect\n0.249617 0.249617 0.750412 Ca\n0.750372 0.249551 0.750372 Ca\n0.750412 0.249617 0.249617 Ca\n0.249551 0.750372 0.750372 Ca\n0.750676 0.750676 0.750676 Ca\n0.249617 0.750412 0.249617 Ca\n0.750372 0.750372 0.249551 Ca\n0.248464 0.248464 0.248464 Mg\n0.000432 0.000432 0.000432 Fe\n0.499206 0.000501 0.000501 Co\n0.000501 0.000501 0.499206 Co\n0.499349 0.000954 0.499349 Co\n0.000501 0.499206 0.000501 Co\n0.499349 0.499349 0.000954 Co\n0.000954 0.499349 0.499349 Co\n0.499660 0.499660 0.499660 Co\n0.002674 0.255118 0.002674 O\n0.497464 0.247485 0.002590 O\n0.002590 0.247485 0.497464 O\n0.497370 0.254051 0.497370 O\n0.000644 0.745344 0.000644 O\n0.499538 0.752777 0.000604 O\n0.000604 0.752777 0.499538 O\n0.499344 0.745474 0.499344 O\n0.000644 0.000644 0.745344 O\n0.499538 0.000604 0.752777 O\n0.002674 0.002674 0.255118 O\n0.497464 0.002590 0.247485 O\n0.000604 0.499538 0.752777 O\n0.499344 0.499344 0.745474 O\n0.002590 0.497464 0.247485 O\n0.497370 0.497370 0.254051 O\n0.255118 0.002674 0.002674 O\n0.745344 0.000644 0.000644 O\n0.247485 0.002590 0.497464 O\n0.752777 0.000604 0.499538 O\n0.247485 0.497464 0.002590 O\n0.752777 0.499538 0.000604 O\n0.254051 0.497370 0.497370 O\n0.745474 0.499344 0.499344 O\n",
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],
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{
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"structure_string": "Zn12 B6 Ir12\n1.0\n1.419152 -13.392750 0.000000\n1.419152 13.392750 0.000000\n0.000000 0.000000 10.293983\nZn B Ir\n12 6 12\ndirect\n0.088643 0.911357 0.119805 Zn\n0.911357 0.088643 0.880195 Zn\n0.911357 0.088643 0.619805 Zn\n0.088643 0.911357 0.380195 Zn\n0.239172 0.760828 0.610927 Zn\n0.760828 0.239172 0.389073 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.819705 0.180295 0.750000 Zn\n0.180295 0.819705 0.250000 Zn\n0.239172 0.760828 0.889073 Zn\n0.760828 0.239172 0.110927 Zn\n0.138513 0.861487 0.606325 B\n0.861487 0.138513 0.393675 B\n0.861487 0.138513 0.106325 B\n0.138513 0.861487 0.893675 B\n0.958912 0.041088 0.250000 B\n0.041088 0.958912 0.750000 B\n0.331441 0.668559 0.530593 Ir\n0.668559 0.331441 0.469407 Ir\n0.668559 0.331441 0.030593 Ir\n0.331441 0.668559 0.969407 Ir\n0.519139 0.480861 0.250000 Ir\n0.480861 0.519139 0.750000 Ir\n0.328701 0.671299 0.250000 Ir\n0.671299 0.328701 0.750000 Ir\n0.574692 0.425308 0.609145 Ir\n0.425308 0.574692 0.390855 Ir\n0.425308 0.574692 0.109145 Ir\n0.574692 0.425308 0.890855 Ir\n",
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},
{
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"structure_string": "Ba2 Pr1 Ru1 O6\n1.0\n0.000000 4.315660 4.315660\n4.315660 0.000000 4.315660\n4.315660 4.315660 0.000000\nBa Pr Ru O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ru\n0.729478 0.729478 0.270523 O\n0.729477 0.270522 0.729478 O\n0.270522 0.729478 0.270523 O\n0.729478 0.270522 0.270522 O\n0.270522 0.270522 0.729478 O\n0.270522 0.729478 0.729478 O\n",
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{
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"structure_string": "Sm2 Ti1 Co16\n1.0\n4.194817 2.421878 4.064153\n-4.194817 2.421878 4.064153\n0.000000 -4.843757 4.064153\nSm Ti Co\n2 1 16\ndirect\n0.656181 0.656181 0.656181 Sm\n0.351024 0.351024 0.351024 Sm\n0.091641 0.091641 0.091641 Ti\n0.289852 0.709409 0.997783 Co\n0.709409 0.997783 0.289852 Co\n0.997783 0.289852 0.709409 Co\n0.289852 0.997783 0.709409 Co\n0.997783 0.709409 0.289852 Co\n0.709409 0.289852 0.997783 Co\n0.998639 0.998639 0.504785 Co\n0.998639 0.504785 0.998639 Co\n0.504785 0.998639 0.998639 Co\n0.346874 0.346874 0.848925 Co\n0.346874 0.848925 0.346874 Co\n0.848925 0.346874 0.346874 Co\n0.655911 0.655911 0.149090 Co\n0.655911 0.149090 0.655911 Co\n0.149090 0.655911 0.655911 Co\n0.901415 0.901415 0.901415 Co\n",
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{
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"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n0.000201 3.932053 0.000420\n-7.380191 1.965593 -0.015835\n-1.455999 -0.001521 9.530404\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.533602 0.928920 0.840706 Sr\n0.512336 0.976560 0.480689 Sr\n0.944616 0.113239 0.193541 Mg\n0.130947 0.734955 0.074917 Ti\n0.178087 0.641836 0.409751 Ti\n0.231143 0.534563 0.736442 Ti\n0.750921 0.495125 0.224442 Ti\n0.831215 0.335742 0.558938 Ti\n0.862079 0.272487 0.910356 Ti\n0.227310 0.542380 0.235704 N\n0.818542 0.360205 0.073174 N\n0.055788 0.887231 0.319494 O\n0.125488 0.745463 0.603256 O\n0.157810 0.681088 0.891711 O\n0.623564 0.749763 0.095556 O\n0.690909 0.615923 0.427634 O\n0.758880 0.479059 0.741710 O\n0.303302 0.391361 0.547872 O\n0.362322 0.272125 0.857372 O\n0.873577 0.251110 0.368693 O\n0.943687 0.110986 0.661892 O\n0.991202 0.014892 0.000847 O\n",
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