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{
"id": "mp-1194127",
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"structure_string": "Mg2 I2 O24\n1.0\n3.566492 0.000000 -2.526906\n-3.739845 0.000000 -8.976051\n0.000000 10.501210 0.000000\nMg I O\n2 2 24\ndirect\n0.690955 0.788206 0.687348 Mg\n0.190955 0.288206 0.312652 Mg\n0.246340 0.207649 0.723686 I\n0.746340 0.707649 0.276314 I\n0.285838 0.504019 0.901686 O\n0.785838 0.004019 0.098314 O\n0.003358 0.235455 0.869292 O\n0.503358 0.735455 0.130708 O\n0.189853 0.056907 0.630248 O\n0.689853 0.556907 0.369752 O\n0.499822 0.317875 0.646148 O\n0.999822 0.817875 0.353852 O\n0.948637 0.349254 0.632910 O\n0.448637 0.849254 0.367090 O\n0.535068 0.115803 0.843491 O\n0.035068 0.615803 0.156509 O\n0.008596 0.555741 0.882111 O\n0.508596 0.055741 0.117889 O\n0.333170 0.809287 0.828188 O\n0.833170 0.309287 0.171812 O\n0.645072 0.935690 0.553011 O\n0.145072 0.435690 0.446989 O\n0.120217 0.666596 0.607925 O\n0.620217 0.166596 0.392075 O\n0.414580 0.646812 0.623724 O\n0.914580 0.146812 0.376276 O\n0.034493 0.826607 0.819287 O\n0.534493 0.326607 0.180713 O\n",
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{
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"created_at": "2022-09-04T14:40:33.022626Z",
"structure_string": "Yb10 Ge6\n1.0\n4.411340 -7.640666 0.000000\n4.411340 7.640666 0.000000\n0.000000 0.000000 6.481816\nYb Ge\n10 6\ndirect\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.500000 Yb\n0.666667 0.333333 0.000000 Yb\n0.333333 0.666667 0.500000 Yb\n0.723936 0.000000 0.750000 Yb\n0.723936 0.723936 0.250000 Yb\n0.000000 0.276064 0.250000 Yb\n0.000000 0.723936 0.750000 Yb\n0.276064 0.276064 0.750000 Yb\n0.276064 0.000000 0.250000 Yb\n0.384184 0.000000 0.750000 Ge\n0.384184 0.384184 0.250000 Ge\n0.000000 0.615816 0.250000 Ge\n0.000000 0.384184 0.750000 Ge\n0.615816 0.615816 0.750000 Ge\n0.615816 0.000000 0.250000 Ge\n",
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"formula_full": "Yb10 Ge6",
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},
{
"id": "mp-22400",
"created_at": "2022-09-04T14:40:33.063523Z",
"structure_string": "Mn1 Cu2 Sn1 Se4\n1.0\n-2.897350 2.897350 5.741410\n2.897350 -2.897350 5.741410\n2.897350 2.897350 -5.741410\nMn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.377868 0.894131 0.000000 Se\n0.622132 0.622132 0.516263 Se\n0.105869 0.105869 0.483737 Se\n0.894131 0.377868 0.000000 Se\n",
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"formula_full": "Mn1 Cu2 Sn1 Se4",
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},
{
"id": "mp-756106",
"created_at": "2022-09-04T14:40:33.066073Z",
"structure_string": "Tb2 Ce2 O8\n1.0\n5.604292 0.000000 0.000000\n0.000000 3.812788 0.000000\n0.000000 0.605643 7.612816\nTb Ce O\n2 2 8\ndirect\n0.250000 0.226267 0.873434 Tb\n0.750000 0.773733 0.126566 Tb\n0.750000 0.732786 0.624944 Ce\n0.250000 0.267214 0.375056 Ce\n0.994277 0.722155 0.881537 O\n0.505723 0.722155 0.881537 O\n0.497678 0.235791 0.625451 O\n0.002322 0.235791 0.625451 O\n0.502322 0.764209 0.374549 O\n0.997678 0.764209 0.374549 O\n0.005723 0.277845 0.118463 O\n0.494277 0.277845 0.118463 O\n",
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},
{
"id": "mp-867682",
"created_at": "2022-09-04T14:40:33.070384Z",
"structure_string": "Li2 V2 Cr2 P4 O16 F4\n1.0\n4.424348 5.312308 0.051949\n-5.884107 5.293871 -0.013372\n-2.063204 -2.792536 6.462034\nLi V Cr P O F\n2 2 2 4 16 4\ndirect\n0.747328 0.821055 0.180224 Li\n0.247350 0.321033 0.180267 Li\n0.496816 0.499666 0.993835 V\n0.997062 0.999768 0.994103 V\n0.002555 0.498246 0.502510 Cr\n0.502753 0.998109 0.502589 Cr\n0.275556 0.841792 0.756008 P\n0.775647 0.341751 0.756092 P\n0.724299 0.162531 0.243698 P\n0.224284 0.662510 0.243689 P\n0.195494 0.932953 0.907291 O\n0.695448 0.432875 0.907260 O\n0.588104 0.235485 0.597412 O\n0.087919 0.735640 0.597232 O\n0.342114 0.982917 0.664509 O\n0.842062 0.482885 0.664520 O\n0.518133 0.276898 0.125325 O\n0.018154 0.776910 0.125306 O\n0.478763 0.732477 0.901964 O\n0.978960 0.232618 0.902082 O\n0.665479 0.013094 0.336111 O\n0.165346 0.513111 0.336055 O\n0.420933 0.763606 0.395382 O\n0.920898 0.263635 0.395370 O\n0.789036 0.063971 0.086352 O\n0.288887 0.563889 0.086331 O\n0.233957 0.090944 0.260050 F\n0.733852 0.591004 0.259906 F\n0.767320 0.911980 0.738449 F\n0.267027 0.412048 0.737965 F\n",
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],
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"formula_full": "Li2 V2 Cr2 P4 O16 F4",
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{
"id": "mp-680291",
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"structure_string": "Ba60 Fe28 S100\n1.0\n9.616609 0.000000 0.000000\n0.000000 12.757111 0.000000\n0.000000 0.000000 42.303239\nBa Fe S\n60 28 100\ndirect\n0.250000 0.514784 0.586621 Ba\n0.750000 0.080338 0.314225 Ba\n0.015381 0.778037 0.784825 Ba\n0.250000 0.956199 0.476161 Ba\n0.974472 0.158558 0.014842 Ba\n0.515381 0.278037 0.715175 Ba\n0.530143 0.394079 0.315403 Ba\n0.530143 0.105921 0.815403 Ba\n0.987127 0.656518 0.891286 Ba\n0.015381 0.721963 0.284825 Ba\n0.496470 0.296629 0.906315 Ba\n0.469857 0.894079 0.184597 Ba\n0.030143 0.605921 0.684597 Ba\n0.484619 0.721963 0.284825 Ba\n0.750000 0.498832 0.225316 Ba\n0.512873 0.843482 0.391286 Ba\n0.987127 0.843482 0.391286 Ba\n0.525528 0.341442 0.514842 Ba\n0.503530 0.703371 0.093685 Ba\n0.750000 0.043801 0.523839 Ba\n0.003530 0.296629 0.906315 Ba\n0.012873 0.343482 0.108714 Ba\n0.250000 0.919662 0.685775 Ba\n0.996470 0.703371 0.093685 Ba\n0.750000 0.485216 0.413379 Ba\n0.750000 0.001168 0.725316 Ba\n0.487127 0.156518 0.608714 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},
{
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"structure_string": "Ti4 Ni12\n1.0\n2.547917 -4.413121 0.000000\n2.547917 4.413121 0.000000\n0.000000 0.000000 8.311561\nTi Ni\n4 12\ndirect\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.828295 0.656589 0.250000 Ni\n0.171705 0.828295 0.750000 Ni\n0.656589 0.828295 0.750000 Ni\n0.343411 0.171705 0.250000 Ni\n0.828295 0.171705 0.250000 Ni\n0.171705 0.343411 0.750000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n",
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