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{
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"nsites": 52,
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"formula_full": "Ca2 Zr2 Si12 O36",
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"spacegroup": 5
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{
"id": "mp-1105669",
"created_at": "2022-09-04T14:39:43.965850Z",
"structure_string": "Nd4 Zn12\n1.0\n4.531975 0.000000 0.000000\n0.000000 6.719819 0.000000\n0.000000 0.000000 10.348337\nNd Zn\n4 12\ndirect\n0.250000 0.278407 0.660476 Nd\n0.250000 0.778407 0.839524 Nd\n0.750000 0.721593 0.339524 Nd\n0.750000 0.221593 0.160476 Nd\n0.250000 0.535712 0.104264 Zn\n0.250000 0.035712 0.395736 Zn\n0.750000 0.464288 0.895736 Zn\n0.750000 0.964288 0.604264 Zn\n0.250000 0.915910 0.147442 Zn\n0.250000 0.415910 0.352558 Zn\n0.750000 0.084090 0.852558 Zn\n0.750000 0.584090 0.647442 Zn\n0.250000 0.216423 0.957034 Zn\n0.250000 0.716423 0.542966 Zn\n0.750000 0.783577 0.042966 Zn\n0.750000 0.283577 0.457034 Zn\n",
"nsites": 16,
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"volume": 315.14879013663585,
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"formula_full": "Nd4 Zn12",
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"spacegroup": 62
},
{
"id": "mp-1235367",
"created_at": "2022-09-04T14:39:43.972007Z",
"structure_string": "Li1 Ta1 Nb1 Ag2 O6\n1.0\n-4.079648 0.000000 0.019276\n-0.015600 0.000000 -4.079657\n0.000000 -8.170562 0.000000\nLi Ta Nb Ag O\n1 1 1 2 6\ndirect\n0.000000 0.000000 0.250000 Li\n0.500000 0.500000 0.750000 Ta\n0.500000 0.500000 0.250000 Nb\n0.000000 0.000000 0.946414 Ag\n0.000000 0.000000 0.553586 Ag\n0.500000 0.000000 0.250000 O\n0.500000 0.000000 0.750000 O\n0.500000 0.500000 0.996425 O\n0.500000 0.500000 0.503575 O\n0.000000 0.500000 0.250000 O\n0.000000 0.500000 0.750000 O\n",
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"formula_full": "Li1 Ta1 Nb1 Ag2 O6",
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"spacegroup": 123
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{
"id": "mp-1234834",
"created_at": "2022-09-04T14:39:43.979023Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n6.139568 -0.598729 -1.572421\n-2.105441 7.087467 -2.231448\n-0.892270 0.136111 9.446203\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.242680 0.637272 0.939290 Sr\n0.757320 0.362728 0.060710 Sr\n0.000000 0.000000 0.000000 Mg\n0.162149 0.262241 0.571150 Zn\n0.837851 0.737759 0.428850 Zn\n0.523703 0.820943 0.525452 Sn\n0.476297 0.179057 0.474548 Sn\n0.309994 0.393055 0.197287 P\n0.690006 0.606945 0.802713 P\n0.757880 0.017747 0.260132 P\n0.242120 0.982253 0.739868 P\n0.882853 0.682270 0.982606 O\n0.565147 0.512004 0.212928 O\n0.685993 0.797878 0.775293 O\n0.063902 0.079086 0.676791 O\n0.434853 0.487996 0.787072 O\n0.175380 0.787217 0.592317 O\n0.824620 0.212783 0.407683 O\n0.204079 0.928907 0.879065 O\n0.314007 0.202122 0.224707 O\n0.795921 0.071093 0.120935 O\n0.117147 0.317729 0.017394 O\n0.225133 0.517408 0.303627 O\n0.774867 0.482592 0.696373 O\n0.493382 0.886708 0.207966 O\n0.936098 0.920914 0.323209 O\n0.506618 0.113292 0.792034 O\n",
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{
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"created_at": "2022-09-04T14:39:43.984646Z",
"structure_string": "Cs4 Na2 Co2 F12\n1.0\n10.336474 -3.138988 0.000000\n10.336474 3.138988 0.000000\n9.383224 0.000000 5.352668\nCs Na Co F\n4 2 2 12\ndirect\n0.283544 0.283544 0.283544 Cs\n0.127825 0.127825 0.127825 Cs\n0.716456 0.716456 0.716456 Cs\n0.872175 0.872175 0.872175 Cs\n0.404419 0.404419 0.404419 Na\n0.595581 0.595581 0.595581 Na\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.178486 0.748589 0.178486 F\n0.821514 0.251411 0.821514 F\n0.748589 0.178486 0.178486 F\n0.602118 0.185184 0.602118 F\n0.397882 0.397882 0.814816 F\n0.821514 0.821514 0.251411 F\n0.602118 0.602118 0.185184 F\n0.178486 0.178486 0.748589 F\n0.814816 0.397882 0.397882 F\n0.251411 0.821514 0.821514 F\n0.397882 0.814816 0.397882 F\n0.185184 0.602118 0.602118 F\n",
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{
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"structure_string": "Li6 V4 Si4 O20\n1.0\n4.554476 0.000000 0.000000\n0.000000 8.996278 0.000000\n0.000000 0.000000 9.287556\nLi V Si O\n6 4 4 20\ndirect\n0.615838 0.000000 0.004824 Li\n0.384162 0.000000 0.504824 Li\n0.000756 0.253597 0.002515 Li\n0.999244 0.253597 0.502515 Li\n0.000756 0.746403 0.002515 Li\n0.999244 0.746403 0.502515 Li\n0.957397 0.000000 0.290599 V\n0.042603 0.000000 0.790599 V\n0.575575 0.500000 0.496380 V\n0.424425 0.500000 0.996380 V\n0.500162 0.251099 0.248172 Si\n0.499838 0.251099 0.748172 Si\n0.499838 0.748901 0.748172 Si\n0.500162 0.748901 0.248172 Si\n0.803444 0.000000 0.455168 O\n0.196556 0.000000 0.955168 O\n0.744475 0.145937 0.164673 O\n0.255525 0.145937 0.664673 O\n0.259534 0.150375 0.336133 O\n0.740466 0.150375 0.836133 O\n0.316557 0.351606 0.131987 O\n0.683443 0.351606 0.631987 O\n0.687812 0.353329 0.361859 O\n0.312188 0.353329 0.861859 O\n0.216892 0.500000 0.496106 O\n0.783108 0.500000 0.996106 O\n0.687812 0.646671 0.361859 O\n0.312188 0.646671 0.861859 O\n0.316557 0.648394 0.131987 O\n0.683443 0.648394 0.631987 O\n0.259534 0.849625 0.336133 O\n0.740466 0.849625 0.836133 O\n0.255525 0.854063 0.664673 O\n0.744475 0.854063 0.164673 O\n",
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{
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"structure_string": "Zn2 Fe4 S10\n1.0\n3.661052 0.000000 0.000000\n0.000000 5.924662 0.000000\n0.000000 0.000000 13.470833\nZn Fe S\n2 4 10\ndirect\n0.000000 0.054904 0.500000 Zn\n0.500000 0.945096 0.000000 Zn\n0.500000 0.565734 0.645249 Fe\n0.000000 0.434266 0.854751 Fe\n0.000000 0.434266 0.145249 Fe\n0.500000 0.565734 0.354751 Fe\n0.000000 0.599058 0.000000 S\n0.500000 0.400942 0.500000 S\n0.000000 0.388310 0.689544 S\n0.500000 0.611690 0.810456 S\n0.000000 0.388310 0.310456 S\n0.500000 0.611690 0.189544 S\n0.500000 0.905708 0.392500 S\n0.000000 0.094292 0.107500 S\n0.000000 0.094292 0.892500 S\n0.500000 0.905708 0.607500 S\n",
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{
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{
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{
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{
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}