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{
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{
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"structure_string": "Cs4 Nb4 V8 O32\n1.0\n5.723318 0.000000 0.000000\n0.000000 9.334346 0.000000\n0.000000 4.652932 16.446561\nCs Nb V O\n4 4 8 32\ndirect\n0.250000 0.601001 0.389958 Cs\n0.750000 0.398999 0.610042 Cs\n0.250000 0.418950 0.121286 Cs\n0.750000 0.581050 0.878714 Cs\n0.250000 0.941663 0.151399 Nb\n0.750000 0.058337 0.848601 Nb\n0.250000 0.075640 0.346617 Nb\n0.750000 0.924360 0.653383 Nb\n0.750000 0.165477 0.040088 V\n0.250000 0.834523 0.959912 V\n0.750000 0.850095 0.446312 V\n0.250000 0.149905 0.553688 V\n0.750000 0.322723 0.338426 V\n0.250000 0.677277 0.661574 V\n0.750000 0.688140 0.205480 V\n0.250000 0.311860 0.794520 V\n0.495828 0.073594 0.090027 O\n0.995828 0.926406 0.909973 O\n0.504172 0.926406 0.909973 O\n0.004172 0.073594 0.090027 O\n0.750000 0.169795 0.937261 O\n0.250000 0.830205 0.062739 O\n0.493945 0.792138 0.209327 O\n0.993945 0.207862 0.790673 O\n0.506055 0.207862 0.790673 O\n0.006055 0.792138 0.209327 O\n0.250000 0.038715 0.239667 O\n0.750000 0.961285 0.760333 O\n0.493910 0.242125 0.311070 O\n0.993910 0.757875 0.688930 O\n0.506090 0.757875 0.688930 O\n0.006090 0.242125 0.311070 O\n0.750000 0.882360 0.541802 O\n0.250000 0.117640 0.458198 O\n0.498266 0.928736 0.388156 O\n0.998266 0.071264 0.611844 O\n0.501734 0.071264 0.611844 O\n0.001734 0.928736 0.388156 O\n0.750000 0.338411 0.048211 O\n0.250000 0.661589 0.951789 O\n0.750000 0.669105 0.454633 O\n0.250000 0.330895 0.545367 O\n0.750000 0.301215 0.437049 O\n0.250000 0.698785 0.562951 O\n0.750000 0.523646 0.291513 O\n0.250000 0.476354 0.708487 O\n0.750000 0.633041 0.122207 O\n0.250000 0.366959 0.877793 O\n",
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{
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"structure_string": "Mn16 Zn16 N32\n1.0\n5.212250 0.000000 0.000000\n0.000000 11.111925 0.000000\n0.000000 0.000000 13.048747\nMn Zn N\n16 16 32\ndirect\n0.632042 0.952539 0.436468 Mn\n0.132042 0.547461 0.563532 Mn\n0.367958 0.452539 0.063532 Mn\n0.867958 0.047461 0.936468 Mn\n0.367958 0.047461 0.563532 Mn\n0.867958 0.452539 0.436468 Mn\n0.632042 0.547461 0.936468 Mn\n0.132042 0.952539 0.063532 Mn\n0.806612 0.295343 0.304693 Mn\n0.306612 0.204657 0.695307 Mn\n0.193388 0.795343 0.195307 Mn\n0.693388 0.704657 0.804693 Mn\n0.193388 0.704657 0.695307 Mn\n0.693388 0.795343 0.304693 Mn\n0.806612 0.204657 0.804693 Mn\n0.306612 0.295343 0.195307 Mn\n0.584803 0.044902 0.177931 Zn\n0.084803 0.455098 0.822069 Zn\n0.415197 0.544902 0.322069 Zn\n0.915197 0.955098 0.677931 Zn\n0.415197 0.955098 0.822069 Zn\n0.915197 0.544902 0.177931 Zn\n0.584803 0.455098 0.677931 Zn\n0.084803 0.044902 0.322069 Zn\n0.848700 0.292383 0.071410 Zn\n0.348700 0.207617 0.928590 Zn\n0.151300 0.792383 0.428590 Zn\n0.651300 0.707617 0.571410 Zn\n0.151300 0.707617 0.928590 Zn\n0.651300 0.792383 0.071410 Zn\n0.848700 0.207617 0.571410 Zn\n0.348700 0.292383 0.428590 Zn\n0.777206 0.465882 0.304559 N\n0.277206 0.034118 0.695441 N\n0.222794 0.965882 0.195441 N\n0.722794 0.534118 0.804559 N\n0.222794 0.534118 0.695441 N\n0.722794 0.965882 0.304559 N\n0.777206 0.034118 0.804559 N\n0.277206 0.465882 0.195441 N\n0.744722 0.299207 0.446480 N\n0.244722 0.200793 0.553520 N\n0.255278 0.799207 0.053520 N\n0.755278 0.700793 0.946480 N\n0.255278 0.700793 0.553520 N\n0.755278 0.799207 0.446480 N\n0.744722 0.200793 0.946480 N\n0.244722 0.299207 0.053520 N\n0.710393 0.465808 0.055830 N\n0.210393 0.034192 0.944170 N\n0.289607 0.965808 0.444170 N\n0.789607 0.534192 0.555830 N\n0.289607 0.534192 0.944170 N\n0.789607 0.965808 0.055830 N\n0.710393 0.034192 0.555830 N\n0.210393 0.465808 0.444170 N\n0.632270 0.225615 0.195415 N\n0.132270 0.274385 0.804585 N\n0.367730 0.725615 0.304585 N\n0.867730 0.774385 0.695415 N\n0.367730 0.774385 0.804585 N\n0.867730 0.725615 0.195415 N\n0.632270 0.274385 0.695415 N\n0.132270 0.225615 0.304585 N\n",
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},
{
"id": "mp-673808",
"created_at": "2022-09-04T14:45:18.383126Z",
"structure_string": "Mg4 Si2 O8\n1.0\n-2.861114 2.926612 4.155385\n2.861114 -2.926612 4.155385\n2.861114 2.926612 -4.155385\nMg Si O\n4 2 8\ndirect\n0.859478 0.109478 0.750000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.140522 0.890522 0.250000 Mg\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.284830 0.248979 0.035851 O\n0.710326 0.221475 0.011149 O\n0.713128 0.248979 0.464149 O\n0.710326 0.699177 0.488851 O\n0.289674 0.300823 0.511149 O\n0.286872 0.751021 0.535851 O\n0.289674 0.778525 0.988851 O\n0.715170 0.751021 0.964149 O\n",
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"formula_full": "Mg4 Si2 O8",
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},
{
"id": "mp-1188184",
"created_at": "2022-09-04T14:45:18.443317Z",
"structure_string": "Pr3 Ni13 B2\n1.0\n-2.524071 -4.371821 0.000024\n-2.522206 4.370744 -0.000012\n0.000026 0.000045 -10.959815\nPr Ni B\n3 13 2\ndirect\n0.999985 0.000000 0.999942 Pr\n0.999974 0.000000 0.329571 Pr\n0.000009 0.000000 0.670489 Pr\n0.500002 0.000000 0.500010 Ni\n0.500002 0.500001 0.500003 Ni\n0.000001 0.499999 0.500003 Ni\n0.333319 0.666663 0.319005 Ni\n0.666656 0.333337 0.319005 Ni\n0.666689 0.333357 0.680995 Ni\n0.333333 0.666643 0.680995 Ni\n0.499988 0.000000 0.133140 Ni\n0.499989 0.499999 0.133129 Ni\n0.999990 0.500001 0.133129 Ni\n0.499992 0.000000 0.866857 Ni\n0.499992 0.499999 0.866856 Ni\n0.999993 0.500001 0.866856 Ni\n0.333305 0.666625 0.000007 B\n0.666680 0.333375 0.000007 B\n",
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{
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"created_at": "2022-09-04T14:45:18.390919Z",
"structure_string": "Sr4 La4 Mn2 Cu2 O16\n1.0\n3.625759 -0.120535 -1.370946\n-1.703771 14.193614 -5.787692\n0.559478 0.753016 6.931233\nSr La Mn Cu O\n4 4 2 2 16\ndirect\n0.358828 0.340486 0.715762 Sr\n0.353155 0.589764 0.711650 Sr\n0.646845 0.160236 0.288350 Sr\n0.641172 0.409514 0.284238 Sr\n0.364740 0.088715 0.726984 La\n0.351361 0.837033 0.717826 La\n0.635260 0.661285 0.273016 La\n0.648639 0.912967 0.282174 La\n0.003198 0.249781 0.004346 Mn\n0.996802 0.500219 0.995654 Mn\n0.001437 0.999518 0.001409 Cu\n0.998563 0.750482 0.998591 Cu\n0.000354 0.123079 0.997003 O\n0.000000 0.375000 0.000000 O\n0.999646 0.626921 0.002997 O\n0.000000 0.875000 0.000000 O\n0.183409 0.034537 0.365506 O\n0.160145 0.288131 0.315919 O\n0.155624 0.547389 0.316151 O\n0.167738 0.796279 0.359054 O\n0.500772 0.996502 0.994134 O\n0.499759 0.246806 0.995227 O\n0.500241 0.503194 0.004773 O\n0.499228 0.753498 0.005866 O\n0.844376 0.202611 0.683849 O\n0.839855 0.461869 0.684081 O\n0.816591 0.715463 0.634494 O\n0.832262 0.953721 0.640946 O\n",
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{
"id": "mp-1224522",
"created_at": "2022-09-04T14:45:18.071280Z",
"structure_string": "La18 Mn10 S42\n1.0\n7.771981 -8.912067 0.000000\n7.771981 8.912067 0.000000\n-2.447411 0.000000 11.568872\nLa Mn S\n18 10 42\ndirect\n0.119681 0.885872 0.750661 La\n0.455843 0.218808 0.079602 La\n0.781881 0.550123 0.413190 La\n0.413190 0.781881 0.550123 La\n0.750661 0.119681 0.885872 La\n0.079602 0.455843 0.218808 La\n0.218808 0.079602 0.455843 La\n0.550123 0.413190 0.781881 La\n0.885872 0.750661 0.119681 La\n0.218163 0.451171 0.586990 La\n0.547656 0.783981 0.923567 La\n0.882254 0.114065 0.250197 La\n0.923567 0.547656 0.783981 La\n0.250197 0.882254 0.114065 La\n0.586990 0.218163 0.451171 La\n0.114065 0.250197 0.882254 La\n0.451171 0.586990 0.218163 La\n0.783981 0.923567 0.547656 La\n0.719510 0.387897 0.053144 Mn\n0.053144 0.719510 0.387897 Mn\n0.387897 0.053144 0.719510 Mn\n0.886869 0.220660 0.553097 Mn\n0.220660 0.553097 0.886869 Mn\n0.553097 0.886869 0.220660 Mn\n0.846466 0.846466 0.846466 Mn\n0.166451 0.166451 0.166451 Mn\n0.666365 0.666365 0.666365 Mn\n0.346369 0.346369 0.346369 Mn\n0.544775 0.393962 0.309844 S\n0.879475 0.736325 0.653971 S\n0.222115 0.075855 0.989039 S\n0.989039 0.222115 0.075855 S\n0.309844 0.544775 0.393962 S\n0.653971 0.879475 0.736325 S\n0.736325 0.653971 0.879475 S\n0.075855 0.989039 0.222115 S\n0.393962 0.309844 0.544775 S\n0.134035 0.277139 0.358738 S\n0.469245 0.615192 0.702218 S\n0.787996 0.938590 0.022155 S\n0.702218 0.469245 0.615192 S\n0.022155 0.787996 0.938590 S\n0.358738 0.134035 0.277139 S\n0.938590 0.022155 0.787996 S\n0.277139 0.358738 0.134035 S\n0.615192 0.702218 0.469245 S\n0.844891 0.515580 0.179252 S\n0.179252 0.844891 0.515580 S\n0.515580 0.179252 0.844891 S\n0.679081 0.015884 0.345272 S\n0.015884 0.345272 0.679081 S\n0.345272 0.679081 0.015884 S\n0.546941 0.449737 0.028108 S\n0.881419 0.781534 0.365421 S\n0.213261 0.112878 0.700781 S\n0.700781 0.213261 0.112878 S\n0.028108 0.546941 0.449737 S\n0.365421 0.881419 0.781534 S\n0.781534 0.365421 0.881419 S\n0.112878 0.700781 0.213261 S\n0.449737 0.028108 0.546941 S\n0.971424 0.071417 0.483596 S\n0.304190 0.401928 0.819594 S\n0.638193 0.735149 0.155340 S\n0.819594 0.304190 0.401928 S\n0.155340 0.638193 0.735149 S\n0.483596 0.971424 0.071417 S\n0.735149 0.155340 0.638193 S\n0.071417 0.483596 0.971424 S\n0.401928 0.819594 0.304190 S\n",
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"formula_full": "La18 Mn10 S42",
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"energy": -475.47806502,
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}
]
}