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{
"id": "mp-1219362",
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"structure_string": "Sm4 Cr3 Fe31 C4\n1.0\n4.313100 2.496599 4.141727\n-4.319223 2.492911 4.150292\n-0.012517 -9.943533 8.270816\nSm Cr Fe C\n4 3 31 4\ndirect\n0.665192 0.650681 0.324907 Sm\n0.663562 0.648475 0.824617 Sm\n0.337890 0.351334 0.175383 Sm\n0.340227 0.355036 0.677994 Sm\n0.912263 0.914445 0.957107 Cr\n0.085826 0.086261 0.043558 Cr\n0.093483 0.094719 0.546916 Cr\n0.999433 0.000852 0.249057 Fe\n0.999984 0.999957 0.749621 Fe\n0.999690 0.498329 0.500768 Fe\n0.000289 0.499781 0.999711 Fe\n0.499793 0.000377 0.999372 Fe\n0.498305 0.000270 0.500242 Fe\n0.855138 0.341918 0.170797 Fe\n0.855527 0.340249 0.671513 Fe\n0.340842 0.343765 0.428028 Fe\n0.338876 0.342685 0.928574 Fe\n0.340328 0.857493 0.170750 Fe\n0.339610 0.856346 0.672071 Fe\n0.143040 0.657395 0.329314 Fe\n0.143538 0.660045 0.828425 Fe\n0.660837 0.657915 0.071670 Fe\n0.661759 0.656387 0.571759 Fe\n0.660380 0.143887 0.328672 Fe\n0.661765 0.141985 0.828345 Fe\n0.285592 0.712497 0.498702 Fe\n0.288986 0.714408 0.997836 Fe\n0.712395 0.002443 0.142045 Fe\n0.711507 0.000436 0.641976 Fe\n0.000520 0.281002 0.358505 Fe\n0.999682 0.282222 0.858825 Fe\n0.285054 0.996557 0.356208 Fe\n0.286914 0.998524 0.857527 Fe\n0.001079 0.718050 0.140266 Fe\n0.001029 0.715972 0.641096 Fe\n0.711587 0.284620 0.002093 Fe\n0.710763 0.283073 0.501651 Fe\n0.907382 0.907778 0.453907 Fe\n0.499958 0.500567 0.999824 C\n0.500052 0.500449 0.500195 C\n0.500108 0.000366 0.250053 C\n0.499815 0.000451 0.750121 C\n",
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{
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"structure_string": "Tm2 Te1 O2\n1.0\n1.927556 -3.338625 0.000000\n1.927556 3.338625 0.000000\n0.000000 0.000000 7.142878\nTm Te O\n2 1 2\ndirect\n0.333333 0.666667 0.306261 Tm\n0.666667 0.333333 0.693739 Tm\n0.000000 0.000000 0.000000 Te\n0.333333 0.666667 0.619606 O\n0.666667 0.333333 0.380394 O\n",
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{
"id": "mp-1014478",
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"structure_string": "Cr2 N4\n1.0\n-2.434426 2.497227 4.344169\n2.434426 -2.497227 4.344169\n2.434426 2.497227 -4.344169\nCr N\n2 4\ndirect\n0.250000 0.000000 0.250000 Cr\n0.750000 0.000000 0.750000 Cr\n0.599399 0.919587 0.320188 N\n0.400601 0.080413 0.679812 N\n0.099399 0.279211 0.179812 N\n0.900601 0.720789 0.820188 N\n",
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{
"id": "mp-676104",
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{
"id": "mp-1228355",
"created_at": "2022-09-04T14:39:07.572108Z",
"structure_string": "Ba8 Sn2 Ge4 S16 Br4\n1.0\n9.107169 0.000000 0.000000\n0.000000 9.292780 0.000000\n0.000000 0.000000 12.108653\nBa Sn Ge S Br\n8 2 4 16 4\ndirect\n0.886345 0.741335 0.082040 Ba\n0.602221 0.255450 0.572676 Ba\n0.102221 0.244550 0.427324 Ba\n0.386345 0.758665 0.917960 Ba\n0.102221 0.755450 0.427324 Ba\n0.386345 0.241335 0.917960 Ba\n0.886345 0.258665 0.082040 Ba\n0.602221 0.744550 0.572676 Ba\n0.022795 0.500000 0.732013 Sn\n0.522795 0.000000 0.267987 Sn\n0.693913 0.500000 0.849780 Ge\n0.799028 0.500000 0.339930 Ge\n0.299028 0.000000 0.660070 Ge\n0.193913 0.000000 0.150220 Ge\n0.829872 0.692568 0.806845 S\n0.702155 0.285622 0.312564 S\n0.202155 0.214378 0.687436 S\n0.329872 0.807432 0.193155 S\n0.202155 0.785622 0.687436 S\n0.329872 0.192568 0.193155 S\n0.829872 0.307432 0.806845 S\n0.702155 0.714378 0.312564 S\n0.630729 0.500000 0.027032 S\n0.862397 0.500000 0.526135 S\n0.362397 0.000000 0.473865 S\n0.130729 0.000000 0.972968 S\n0.989688 0.000000 0.249441 S\n0.513821 0.000000 0.750707 S\n0.013821 0.500000 0.249293 S\n0.489688 0.500000 0.750559 S\n0.143780 0.500000 0.973221 Br\n0.357362 0.500000 0.463474 Br\n0.857362 0.000000 0.536526 Br\n0.643780 0.000000 0.026779 Br\n",
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"volume": 1024.7664184047553,
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"formula_full": "Ba8 Sn2 Ge4 S16 Br4",
"formula_reduced": "Ba4SnGe2(S4Br)2",
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{
"id": "mp-1176566",
"created_at": "2022-09-04T14:39:07.575763Z",
"structure_string": "Li4 Ti4 Si4 O16\n1.0\n5.731590 0.000000 0.000000\n0.000000 5.731590 0.000000\n0.000000 0.000000 8.169048\nLi Ti Si O\n4 4 4 16\ndirect\n0.000000 0.221078 0.000000 Li\n0.000000 0.778922 0.500000 Li\n0.221078 0.000000 0.250000 Li\n0.778922 0.000000 0.750000 Li\n0.243866 0.500000 0.250000 Ti\n0.500000 0.243866 0.000000 Ti\n0.500000 0.756134 0.500000 Ti\n0.756134 0.500000 0.750000 Ti\n0.248304 0.248304 0.625000 Si\n0.248304 0.751696 0.875000 Si\n0.751696 0.248304 0.375000 Si\n0.751696 0.751696 0.125000 Si\n0.989286 0.257909 0.260904 O\n0.989286 0.742091 0.239096 O\n0.257909 0.989286 0.989096 O\n0.257909 0.010714 0.510904 O\n0.256238 0.513413 0.994489 O\n0.256238 0.486587 0.505511 O\n0.513413 0.256238 0.255511 O\n0.513413 0.743762 0.244489 O\n0.486587 0.256238 0.744489 O\n0.486587 0.743762 0.755511 O\n0.743762 0.486587 0.494489 O\n0.743762 0.513413 0.005511 O\n0.742091 0.010714 0.489096 O\n0.742091 0.989286 0.010904 O\n0.010714 0.257909 0.739096 O\n0.010714 0.742091 0.760904 O\n",
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"formula_full": "Li4 Ti4 Si4 O16",
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{
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"structure_string": "H20 N8 Cl4\n1.0\n0.000000 9.636749 12.728090\n1.217604 0.000000 12.728090\n1.217604 9.636749 0.000000\nH N Cl\n20 8 4\ndirect\n0.532478 0.874813 0.254969 H\n0.337741 0.254969 0.874813 H\n0.375187 0.717522 0.912259 H\n0.995031 0.912259 0.717522 H\n0.818878 0.758737 0.907631 H\n0.514754 0.907631 0.758737 H\n0.491263 0.431122 0.735246 H\n0.342369 0.735246 0.431122 H\n0.927455 0.664861 0.983704 H\n0.423979 0.983704 0.664861 H\n0.585139 0.322545 0.826021 H\n0.266296 0.826021 0.322545 H\n0.891474 0.809774 0.910825 H\n0.387926 0.910825 0.809774 H\n0.440226 0.358526 0.862074 H\n0.339175 0.862074 0.358526 H\n0.360128 0.338356 0.757973 H\n0.543542 0.757973 0.338356 H\n0.911644 0.889872 0.706458 H\n0.492027 0.706458 0.889872 H\n0.576071 0.806440 0.313372 N\n0.304116 0.313372 0.806440 N\n0.443560 0.673929 0.945884 N\n0.936628 0.945884 0.673929 N\n0.839306 0.782830 0.973651 N\n0.404212 0.973651 0.782830 N\n0.467170 0.410694 0.845788 N\n0.276349 0.845788 0.410694 N\n0.649006 0.215219 0.313467 Cl\n0.822307 0.313467 0.215219 Cl\n0.034781 0.600994 0.427693 Cl\n0.936533 0.427693 0.600994 Cl\n",
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{
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"structure_string": "Mo8 N8\n1.0\n4.661058 3.885267 0.000000\n-4.661058 3.885267 0.000000\n0.000000 0.976421 5.015550\nMo N\n8 8\ndirect\n0.875052 0.875052 0.767900 Mo\n0.124948 0.124948 0.232100 Mo\n0.398504 0.025301 0.727326 Mo\n0.025301 0.398504 0.727326 Mo\n0.516500 0.516500 0.740291 Mo\n0.601496 0.974699 0.272674 Mo\n0.974699 0.601496 0.272674 Mo\n0.483500 0.483500 0.259709 Mo\n0.314400 0.685600 0.500000 N\n0.685600 0.314400 0.500000 N\n0.200150 0.457795 0.049989 N\n0.542205 0.799850 0.950011 N\n0.131140 0.868860 0.000000 N\n0.457795 0.200150 0.049989 N\n0.868860 0.131140 0.000000 N\n0.799850 0.542205 0.950011 N\n",
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{
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"structure_string": "Re1 Te1 O3\n1.0\n4.005481 0.000000 0.000000\n0.000000 4.005481 0.000000\n0.000000 0.000000 4.005481\nRe Te O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
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],
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"density_atomic": 0.007128923361859901,
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"formula_full": "Li1 Be2 Rh1",
"formula_reduced": "LiBe2Rh",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:30.110000Z",
"spacegroup": 71
},
{
"id": "mp-1216530",
"created_at": "2022-09-04T14:39:07.615734Z",
"structure_string": "Tl1 Pb1\n1.0\n5.880337 -1.780324 0.000000\n5.880337 1.780324 0.000000\n5.341328 0.000000 3.036138\nTl Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Pb-Tl",
"density": 10.751129096830251,
"density_atomic": 0.03146134100796503,
"volume": 63.57008111935415,
"volume_molar": 19.141398831268454,
"formula_full": "Tl1 Pb1",
"formula_reduced": "TlPb",
"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:34:40.826000Z",
"spacegroup": 166
}
]
}