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{
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{
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{
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"structure_string": "Nd2 P8 N2 O24\n1.0\n6.318948 4.023951 0.000000\n-6.318948 4.023951 0.000000\n0.000000 3.759610 10.079565\nNd P N O\n2 8 2 24\ndirect\n0.881233 0.118767 0.750000 Nd\n0.118767 0.881233 0.250000 Nd\n0.691712 0.736267 0.558087 P\n0.308288 0.263733 0.441913 P\n0.263733 0.308288 0.941913 P\n0.736267 0.691712 0.058087 P\n0.628164 0.286683 0.999773 P\n0.371836 0.713317 0.000227 P\n0.713317 0.371836 0.500227 P\n0.286683 0.628164 0.499773 P\n0.182355 0.817645 0.750000 N\n0.817645 0.182355 0.250000 N\n0.159482 0.137808 0.578300 O\n0.840518 0.862192 0.421700 O\n0.862192 0.840518 0.921700 O\n0.137808 0.159482 0.078300 O\n0.514001 0.906167 0.888108 O\n0.485999 0.093833 0.111892 O\n0.093833 0.485999 0.611892 O\n0.906167 0.514001 0.388108 O\n0.502336 0.360233 0.912979 O\n0.497664 0.639767 0.087021 O\n0.639767 0.497664 0.587021 O\n0.360233 0.502336 0.412979 O\n0.702527 0.193471 0.597719 O\n0.297473 0.806529 0.402281 O\n0.806529 0.297473 0.902281 O\n0.193471 0.702527 0.097719 O\n0.750050 0.808348 0.672192 O\n0.249950 0.191652 0.327808 O\n0.191652 0.249950 0.827808 O\n0.808348 0.750050 0.172192 O\n0.471662 0.723411 0.563974 O\n0.528338 0.276589 0.436026 O\n0.276589 0.528338 0.936026 O\n0.723411 0.471662 0.063974 O\n",
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{
"id": "mp-1395253",
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"structure_string": "Ca1 V4 S8\n1.0\n6.125600 -3.561772 0.000000\n6.125600 3.561772 0.000000\n4.054584 0.000000 5.811157\nCa V S\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.736012 0.276793 0.736012 S\n0.736012 0.736012 0.276793 S\n0.276793 0.736012 0.736012 S\n0.741292 0.741292 0.741292 S\n0.258708 0.258708 0.258708 S\n0.263988 0.263988 0.723207 S\n0.723207 0.263988 0.263988 S\n0.263988 0.723207 0.263988 S\n",
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"volume": 253.57553717454726,
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"formula_full": "Ca1 V4 S8",
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{
"id": "mp-690511",
"created_at": "2022-09-04T14:39:29.982213Z",
"structure_string": "K10 Co4 O9\n1.0\n6.816740 0.000000 0.000000\n-0.239858 9.135907 0.000000\n-3.083736 -4.554483 7.338842\nK Co O\n10 4 9\ndirect\n0.088060 0.222295 0.938042 K\n0.057686 0.599250 0.340324 K\n0.262839 0.050389 0.510526 K\n0.458041 0.490192 0.676188 K\n0.556802 0.938415 0.814610 K\n0.450029 0.070116 0.178173 K\n0.550138 0.514946 0.328438 K\n0.740384 0.932820 0.473850 K\n0.923947 0.400995 0.654392 K\n0.908553 0.778306 0.066436 K\n0.037543 0.787892 0.742117 Co\n0.660311 0.347848 0.953958 Co\n0.372778 0.674757 0.065318 Co\n0.964133 0.214899 0.261115 Co\n0.135229 0.927681 0.682029 O\n0.263211 0.706445 0.869163 O\n0.227511 0.311878 0.300396 O\n0.309597 0.748985 0.262041 O\n0.672997 0.235711 0.733066 O\n0.770905 0.689866 0.696504 O\n0.623823 0.577715 0.075135 O\n0.717056 0.267073 0.116829 O\n0.874125 0.087228 0.337648 O\n",
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{
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"structure_string": "Fe6 O5 F7\n1.0\n5.687379 0.000000 0.000000\n1.637980 5.453749 0.000000\n2.233010 1.658070 6.810391\nFe O F\n6 5 7\ndirect\n0.305692 0.322251 0.161360 Fe\n0.679027 0.642119 0.332343 Fe\n0.375928 0.330124 0.690113 Fe\n0.667863 0.690574 0.826654 Fe\n0.983163 0.028620 0.496714 Fe\n0.988362 0.002699 0.992763 Fe\n0.768333 0.772888 0.037820 O\n0.214321 0.217694 0.958915 O\n0.576825 0.573386 0.631622 O\n0.649912 0.031198 0.665554 O\n0.954774 0.358586 0.342215 O\n0.360913 0.946362 0.345797 F\n0.041494 0.642605 0.662269 F\n0.109524 0.098265 0.695838 F\n0.427596 0.427867 0.375625 F\n0.902502 0.899623 0.295551 F\n0.300583 0.704722 0.993874 F\n0.693187 0.310416 0.994975 F\n",
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{
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"structure_string": "V12 Ga10\n1.0\n4.243327 -7.349658 0.000000\n4.243327 7.349658 0.000000\n0.000000 0.000000 5.124467\nV Ga\n12 10\ndirect\n0.686383 0.843191 0.250000 V\n0.843191 0.156809 0.750000 V\n0.500000 0.000000 0.000000 V\n0.156809 0.843191 0.250000 V\n0.843191 0.686383 0.750000 V\n0.313617 0.156809 0.750000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.156809 0.313617 0.250000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n0.796242 0.203758 0.250000 Ga\n0.203758 0.407517 0.750000 Ga\n0.592483 0.796242 0.750000 Ga\n0.796242 0.592483 0.250000 Ga\n0.000000 0.000000 0.500000 Ga\n0.407517 0.203758 0.250000 Ga\n0.203758 0.796242 0.750000 Ga\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n",
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{
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"structure_string": "Nb4 Zn4 Bi2 O16\n1.0\n2.998180 10.398864 0.000000\n-2.998180 10.398864 0.000000\n0.000000 0.176073 5.449960\nNb Zn Bi O\n4 4 2 16\ndirect\n0.035706 0.716422 0.226632 Nb\n0.283578 0.964294 0.273368 Nb\n0.964294 0.283578 0.773368 Nb\n0.716422 0.035706 0.726632 Nb\n0.877564 0.562868 0.273107 Zn\n0.437132 0.122436 0.226893 Zn\n0.122436 0.437132 0.726893 Zn\n0.562868 0.877564 0.773107 Zn\n0.691333 0.308667 0.250000 Bi\n0.308667 0.691333 0.750000 Bi\n0.013864 0.835089 0.537253 O\n0.164911 0.986136 0.962747 O\n0.986136 0.164911 0.462747 O\n0.835089 0.013864 0.037253 O\n0.320971 0.554195 0.115766 O\n0.445805 0.679029 0.384234 O\n0.679029 0.445805 0.884234 O\n0.554195 0.320971 0.615766 O\n0.931391 0.711775 0.923556 O\n0.288225 0.068609 0.576444 O\n0.446014 0.155881 0.860721 O\n0.844119 0.553986 0.639279 O\n0.553986 0.844119 0.139279 O\n0.155881 0.446014 0.360721 O\n0.711775 0.931391 0.423556 O\n0.068609 0.288225 0.076444 O\n",
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{
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],
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"formula_full": "Li10 V6 P16 O58",
"formula_reduced": "Li5V3P8O29",
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{
"id": "mp-771048",
"created_at": "2022-09-04T14:39:35.887104Z",
"structure_string": "Fe1 Co9 O20\n1.0\n4.922888 0.000000 0.000000\n2.432241 7.123812 0.000000\n0.731562 1.477596 9.652791\nFe Co O\n1 9 20\ndirect\n0.500000 0.500000 0.500000 Fe\n0.898541 0.704447 0.501703 Co\n0.600122 0.799942 0.000015 Co\n0.297503 0.901882 0.501427 Co\n0.000000 0.000000 0.000000 Co\n0.399878 0.200058 0.999985 Co\n0.702497 0.098118 0.498573 Co\n0.101459 0.295553 0.498297 Co\n0.799913 0.399974 0.000159 Co\n0.200087 0.600026 0.999841 Co\n0.209545 0.694084 0.602595 O\n0.929709 0.779642 0.096238 O\n0.270926 0.820247 0.903708 O\n0.570930 0.727843 0.402113 O\n0.329373 0.979701 0.096274 O\n0.969514 0.920776 0.403236 O\n0.628397 0.881719 0.597451 O\n0.670627 0.020299 0.903726 O\n0.371603 0.118281 0.402549 O\n0.729074 0.179753 0.096292 O\n0.030486 0.079224 0.596764 O\n0.070291 0.220358 0.903762 O\n0.429070 0.272157 0.597887 O\n0.129510 0.379930 0.096344 O\n0.470549 0.420301 0.903527 O\n0.790455 0.305916 0.397405 O\n0.529451 0.579699 0.096473 O\n0.832841 0.477800 0.597441 O\n0.870490 0.620070 0.903656 O\n0.167159 0.522200 0.402559 O\n",
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{
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"structure_string": "Cd1 H1 Cl3\n1.0\n5.218407 0.000000 0.000000\n0.000000 5.218407 0.000000\n0.000000 0.000000 5.218407\nCd H Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n",
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{
"id": "mp-1193234",
"created_at": "2022-09-04T14:39:35.901397Z",
"structure_string": "Mn6 Zn2 O20\n1.0\n8.192489 -3.880476 0.000000\n8.192489 3.880476 0.000000\n6.354452 0.000000 6.464975\nMn Zn O\n6 2 20\ndirect\n0.570377 0.282068 0.148079 Mn\n0.429623 0.717932 0.851921 Mn\n0.148079 0.570377 0.282068 Mn\n0.851921 0.429623 0.717932 Mn\n0.717932 0.851921 0.429623 Mn\n0.282068 0.148079 0.570377 Mn\n0.936451 0.936451 0.936451 Zn\n0.063549 0.063549 0.063549 Zn\n0.576661 0.430802 0.869483 O\n0.423339 0.569198 0.130517 O\n0.689178 0.005949 0.170164 O\n0.310822 0.994051 0.829836 O\n0.170164 0.689178 0.005949 O\n0.829836 0.310822 0.994051 O\n0.293233 0.293233 0.293233 O\n0.706767 0.706767 0.706767 O\n0.869483 0.576661 0.430802 O\n0.130517 0.423339 0.569198 O\n0.430802 0.869483 0.576661 O\n0.569198 0.130517 0.423339 O\n0.005949 0.170164 0.689178 O\n0.994051 0.829836 0.310822 O\n0.010918 0.912601 0.579018 O\n0.989082 0.087399 0.420982 O\n0.579018 0.010918 0.912601 O\n0.420982 0.989082 0.087399 O\n0.087399 0.420982 0.989082 O\n0.912601 0.579018 0.010918 O\n",
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]
}