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{
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"updated_at": "2022-09-04T15:53:25.056940Z",
"structure_string": "Sm2 Y2 C1 I1 Br2 Cl2\n1.0\n8.670590 -1.950298 0.000000\n8.670590 1.950298 0.000000\n-2.173766 0.000000 8.438055\nBr C Cl I Sm Y\n2 1 2 1 2 2\ndirect\n0.174496 0.174496 0.320788 Br\n0.825504 0.825504 0.679212 Br\n0.500000 0.500000 0.000000 C\n0.827806 0.827806 0.132637 Cl\n0.172194 0.172194 0.867363 Cl\n0.500000 0.500000 0.500000 I\n0.999153 0.999153 0.194169 Sm\n0.000847 0.000847 0.805831 Sm\n0.642896 0.642896 0.072405 Y\n0.357104 0.357104 0.927595 Y\n",
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{
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"structure_string": "Pr2 Y2 C1 I1 Br2 Cl2\n1.0\n9.028939 -1.951026 0.000000\n9.028939 1.951026 0.000000\n-2.105348 0.000000 8.220240\nBr C Cl I Pr Y\n2 1 2 1 2 2\ndirect\n0.833999 0.833999 0.177995 Br\n0.166001 0.166001 0.822005 Br\n0.500000 0.500000 0.000000 C\n0.155705 0.155705 0.329764 Cl\n0.844295 0.844295 0.670236 Cl\n0.500000 0.500000 0.500000 I\n0.644440 0.644440 0.080112 Pr\n0.355560 0.355560 0.919888 Pr\n0.000642 0.000642 0.193060 Y\n0.999358 0.999358 0.806940 Y\n",
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{
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"structure_string": "Pr2 Sc2 C1 I2 Br2 Cl1\n1.0\n9.032301 -1.912791 0.000000\n9.032301 1.912791 0.000000\n-1.833651 0.000000 7.999828\nBr C Cl I Pr Sc\n2 1 1 2 2 2\ndirect\n0.841421 0.841421 0.197952 Br\n0.158579 0.158579 0.802048 Br\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 Cl\n0.158275 0.158275 0.371569 I\n0.841725 0.841725 0.628431 I\n0.641253 0.641253 0.068354 Pr\n0.358747 0.358747 0.931646 Pr\n0.999087 0.999087 0.186825 Sc\n0.000913 0.000913 0.813175 Sc\n",
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"formula_full": "Pr2 Sc2 C1 I2 Br2 Cl1",
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{
"id": "oqmd-1499614",
"created_at": "2022-09-04T15:53:25.078368Z",
"updated_at": "2022-09-04T15:53:25.078396Z",
"structure_string": "Pr2 Sc2 C1 I1 Br2 Cl2\n1.0\n8.846876 -1.896730 0.000000\n8.846876 1.896730 0.000000\n-2.011515 0.000000 7.865628\nBr C Cl I Pr Sc\n2 1 2 1 2 2\ndirect\n0.837640 0.837640 0.192057 Br\n0.162360 0.162360 0.807943 Br\n0.500000 0.500000 0.000000 C\n0.149805 0.149805 0.341498 Cl\n0.850195 0.850195 0.658502 Cl\n0.500000 0.500000 0.500000 I\n0.645404 0.645404 0.082308 Pr\n0.354596 0.354596 0.917692 Pr\n0.000805 0.000805 0.184496 Sc\n0.999195 0.999195 0.815504 Sc\n",
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{
"id": "oqmd-1509618",
"created_at": "2022-09-04T15:54:02.622541Z",
"updated_at": "2022-09-04T15:54:02.622571Z",
"structure_string": "Cs2 Rb2 Ge2 Se2 S2 O2\n1.0\n6.448324 -3.518217 0.000000\n6.448324 3.518217 0.000000\n-5.582298 0.000000 7.825315\nCs Ge O Rb S Se\n2 2 2 2 2 2\ndirect\n0.786014 0.786014 0.146401 Cs\n0.213986 0.213986 0.853599 Cs\n0.132636 0.132636 0.188961 Ge\n0.867364 0.867364 0.811039 Ge\n0.279291 0.279291 0.221249 O\n0.720709 0.720709 0.778751 O\n0.556359 0.556359 0.366606 Rb\n0.443641 0.443641 0.633394 Rb\n0.759759 0.240241 0.000000 S\n0.240241 0.759759 0.000000 S\n0.121754 0.121754 0.422430 Se\n0.878246 0.878246 0.577570 Se\n",
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"volume_molar": 17.818492318771426,
"formula_full": "Cs2 Rb2 Ge2 Se2 S2 O2",
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{
"id": "oqmd-1558170",
"created_at": "2022-09-04T15:55:41.919595Z",
"updated_at": "2022-09-04T15:55:41.919612Z",
"structure_string": "Tb2 Nd4 Se2 S2 N2 O2\n1.0\n7.888102 -1.986387 0.000000\n7.888102 1.986387 0.000000\n-1.351870 0.000000 9.703539\nN Nd O S Se Tb\n2 4 2 2 2 2\ndirect\n0.904222 0.904222 0.187677 N\n0.095778 0.095778 0.812323 N\n0.049257 0.049257 0.267591 Nd\n0.803475 0.803475 0.329841 Nd\n0.196525 0.196525 0.670159 Nd\n0.950743 0.950743 0.732409 Nd\n0.536925 0.536925 0.137303 O\n0.463075 0.463075 0.862697 O\n0.631405 0.631405 0.474181 S\n0.368595 0.368595 0.525819 S\n0.213097 0.213097 0.144092 Se\n0.786903 0.786903 0.855908 Se\n0.394076 0.394076 0.055913 Tb\n0.605924 0.605924 0.944087 Tb\n",
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{
"id": "oqmd-1509752",
"created_at": "2022-09-04T15:54:02.773196Z",
"updated_at": "2022-09-04T15:54:02.773225Z",
"structure_string": "Cs2 Rb2 Si2 Te2 Se2 S2\n1.0\n7.167699 -3.708656 0.000000\n7.167699 3.708656 0.000000\n-6.252534 0.000000 8.504189\nCs Rb S Se Si Te\n2 2 2 2 2 2\ndirect\n0.285849 0.285849 0.162397 Cs\n0.714151 0.714151 0.837603 Cs\n0.072702 0.072702 0.372180 Rb\n0.927298 0.927298 0.627820 Rb\n0.783907 0.783907 0.224252 S\n0.216093 0.216093 0.775748 S\n0.735791 0.264209 0.000000 Se\n0.264209 0.735791 0.000000 Se\n0.619867 0.619867 0.175423 Si\n0.380133 0.380133 0.824577 Si\n0.612952 0.612952 0.405413 Te\n0.387048 0.387048 0.594587 Te\n",
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{
"id": "oqmd-1558174",
"created_at": "2022-09-04T15:55:41.937944Z",
"updated_at": "2022-09-04T15:55:41.937971Z",
"structure_string": "Tb2 Nd2 Sm2 Se4 N2 O2\n1.0\n7.901179 -1.990786 0.000000\n7.901179 1.990786 0.000000\n-1.563650 0.000000 9.922013\nN Nd O Se Sm Tb\n2 2 2 4 2 2\ndirect\n0.907412 0.907412 0.190203 N\n0.092588 0.092588 0.809797 N\n0.808390 0.808390 0.330362 Nd\n0.191610 0.191610 0.669638 Nd\n0.538673 0.538673 0.137680 O\n0.461327 0.461327 0.862320 O\n0.214686 0.214686 0.148681 Se\n0.627313 0.627313 0.461380 Se\n0.372687 0.372687 0.538620 Se\n0.785314 0.785314 0.851319 Se\n0.391819 0.391819 0.055037 Sm\n0.608181 0.608181 0.944963 Sm\n0.049596 0.049596 0.253045 Tb\n0.950404 0.950404 0.746955 Tb\n",
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"structure_string": "Pr2 Nd2 C1 I2 Br2 Cl1\n1.0\n9.422843 -2.000328 0.000000\n9.422843 2.000328 0.000000\n-1.642601 0.000000 8.194573\nBr C Cl I Nd Pr\n2 1 1 2 2 2\ndirect\n0.831589 0.831589 0.182035 Br\n0.168411 0.168411 0.817965 Br\n0.500000 0.500000 0.000000 C\n0.500000 0.500000 0.500000 Cl\n0.165215 0.165215 0.362492 I\n0.834785 0.834785 0.637508 I\n0.997155 0.997155 0.209927 Nd\n0.002845 0.002845 0.790073 Nd\n0.637784 0.637784 0.065938 Pr\n0.362216 0.362216 0.934062 Pr\n",
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{
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"structure_string": "Tb2 Nd2 Dy2 S4 N2 O2\n1.0\n7.656106 -1.932717 0.000000\n7.656106 1.932717 0.000000\n-1.667614 0.000000 9.534759\nDy N Nd O S Tb\n2 2 2 2 4 2\ndirect\n0.948194 0.948194 0.232995 Dy\n0.051806 0.051806 0.767005 Dy\n0.094924 0.094924 0.297096 N\n0.905076 0.905076 0.702904 N\n0.613875 0.613875 0.445398 Nd\n0.386125 0.386125 0.554602 Nd\n0.460056 0.460056 0.354629 O\n0.539944 0.539944 0.645371 O\n0.365486 0.365486 0.030600 S\n0.785433 0.785433 0.339353 S\n0.214567 0.214567 0.660647 S\n0.634514 0.634514 0.969400 S\n0.196524 0.196524 0.165883 Tb\n0.803476 0.803476 0.834117 Tb\n",
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"structure_string": "Sm2 Gd2 Dy2 Se4 N2 O2\n1.0\n7.822716 -1.968702 0.000000\n7.822716 1.968702 0.000000\n-1.288112 0.000000 9.698204\nDy Gd N O Se Sm\n2 2 2 2 4 2\ndirect\n0.803520 0.803520 0.327449 Dy\n0.196480 0.196480 0.672551 Dy\n0.044620 0.044620 0.263862 Gd\n0.955380 0.955380 0.736138 Gd\n0.902280 0.902280 0.192826 N\n0.097720 0.097720 0.807174 N\n0.536191 0.536191 0.142347 O\n0.463809 0.463809 0.857653 O\n0.212892 0.212892 0.154707 Se\n0.629890 0.629890 0.474832 Se\n0.370110 0.370110 0.525168 Se\n0.787108 0.787108 0.845293 Se\n0.389956 0.389956 0.054643 Sm\n0.610044 0.610044 0.945357 Sm\n",
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{
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"created_at": "2022-09-04T15:54:03.071494Z",
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"structure_string": "Cs2 Rb2 Si2 Te2 S2 O2\n1.0\n7.039906 -3.640436 0.000000\n7.039906 3.640436 0.000000\n-6.082141 0.000000 7.984231\nCs O Rb S Si Te\n2 2 2 2 2 2\ndirect\n0.938009 0.938009 0.157673 Cs\n0.061991 0.061991 0.842327 Cs\n0.665310 0.334690 0.500000 O\n0.334690 0.665310 0.500000 O\n0.720528 0.720528 0.328157 Rb\n0.279472 0.279472 0.671843 Rb\n0.235576 0.235576 0.304615 S\n0.764424 0.764424 0.695385 S\n0.403557 0.403557 0.358674 Si\n0.596443 0.596443 0.641326 Si\n0.401772 0.401772 0.109272 Te\n0.598228 0.598228 0.890728 Te\n",
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}
]
}