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{
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"results": [
{
"id": "mp-1397105",
"created_at": "2022-09-04T14:45:42.991744Z",
"structure_string": "Rb2 Nb6 Cu2 Cl18\n1.0\n9.455724 0.000000 0.000000\n-0.945584 9.423435 0.000000\n-2.544313 -4.974437 7.651757\nRb Nb Cu Cl\n2 6 2 18\ndirect\n0.665400 0.214026 0.524743 Rb\n0.334600 0.785974 0.475257 Rb\n0.866795 0.554566 0.102555 Nb\n0.137941 0.326215 0.250561 Nb\n0.140719 0.678300 0.018225 Nb\n0.133205 0.445434 0.897445 Nb\n0.862059 0.673785 0.749439 Nb\n0.859281 0.321700 0.981775 Nb\n0.368161 0.131873 0.813301 Cu\n0.631839 0.868127 0.186699 Cu\n0.323930 0.104116 0.572649 Cl\n0.330252 0.903186 0.049655 Cl\n0.671818 0.494777 0.680847 Cl\n0.328182 0.505223 0.319153 Cl\n0.696762 0.617345 0.235116 Cl\n0.321245 0.645756 0.901940 Cl\n0.676070 0.895884 0.427351 Cl\n0.005194 0.356486 0.415292 Cl\n0.320491 0.228901 0.176468 Cl\n0.303238 0.382655 0.764884 Cl\n0.998583 0.084395 0.272705 Cl\n0.990461 0.225854 0.857149 Cl\n0.001417 0.915605 0.727295 Cl\n0.679509 0.771099 0.823532 Cl\n0.669748 0.096814 0.950345 Cl\n0.994806 0.643514 0.584708 Cl\n0.009539 0.774146 0.142851 Cl\n0.678755 0.354244 0.098060 Cl\n",
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{
"id": "mp-1244885",
"created_at": "2022-09-04T14:45:43.000718Z",
"structure_string": "Hf34 O68\n1.0\n10.551113 0.039851 0.098697\n0.032441 11.363118 -0.220098\n0.091592 -0.218926 11.207792\nHf O\n34 68\ndirect\n0.669801 0.521069 0.838233 Hf\n0.341638 0.517189 0.139545 Hf\n0.643893 0.825263 0.462210 Hf\n0.146757 0.489838 0.401911 Hf\n0.529794 0.032023 0.047043 Hf\n0.611381 0.583313 0.580094 Hf\n0.646464 0.883856 0.767041 Hf\n0.343390 0.757021 0.955089 Hf\n0.963182 0.279077 0.925845 Hf\n0.975811 0.476142 0.706112 Hf\n0.784054 0.909800 0.235717 Hf\n0.123271 0.848338 0.453366 Hf\n0.866641 0.540505 0.139252 Hf\n0.380876 0.298732 0.573289 Hf\n0.054865 0.162812 0.443504 Hf\n0.339535 0.247061 0.210361 Hf\n0.174381 0.066355 0.002426 Hf\n0.724542 0.332901 0.519474 Hf\n0.106177 0.790783 0.154925 Hf\n0.382735 0.734158 0.355293 Hf\n0.600524 0.715234 0.104766 Hf\n0.685032 0.234042 0.832136 Hf\n0.608596 0.494483 0.299925 Hf\n0.373707 0.846387 0.643854 Hf\n0.855002 0.721597 0.927529 Hf\n0.849043 0.000190 0.978279 Hf\n0.559132 0.127481 0.377600 Hf\n0.303891 0.556780 0.689510 Hf\n0.901512 0.656743 0.433737 Hf\n0.788476 0.086203 0.589980 Hf\n0.726704 0.234456 0.170728 Hf\n0.043949 0.312812 0.207743 Hf\n0.390495 0.279238 0.867993 Hf\n0.138282 0.099806 0.704911 Hf\n0.235561 0.667462 0.076732 O\n0.455376 0.402211 0.239446 O\n0.963403 0.936673 0.123110 O\n0.338572 0.098877 0.083995 O\n0.008290 0.086970 0.888894 O\n0.461645 0.922443 0.785551 O\n0.463345 0.621781 0.991044 O\n0.777779 0.256998 0.673314 O\n0.663963 0.959360 0.936322 O\n0.003470 0.527234 0.531492 O\n0.716583 0.045532 0.133257 O\n0.479031 0.625367 0.214542 O\n0.267547 0.595168 0.309146 O\n0.473318 0.853202 0.045822 O\n0.868166 0.208374 0.467506 O\n0.314622 0.727102 0.775961 O\n0.729756 0.591447 0.006802 O\n0.724892 0.066167 0.762207 O\n0.548475 0.763673 0.628366 O\n0.345753 0.356896 0.034686 O\n0.131526 0.555583 0.749224 O\n0.066778 0.333240 0.395907 O\n0.531889 0.165749 0.935675 O\n0.196468 0.200035 0.572173 O\n0.805330 0.376532 0.868359 O\n0.536230 0.405949 0.528144 O\n0.964371 0.402186 0.062848 O\n0.699480 0.004167 0.386789 O\n0.976509 0.513127 0.283446 O\n0.251481 0.133036 0.855202 O\n0.529197 0.157115 0.195831 O\n0.762292 0.814868 0.077433 O\n0.797980 0.188079 0.979484 O\n0.719926 0.409608 0.160816 O\n0.979598 0.081909 0.617544 O\n0.743917 0.488583 0.428914 O\n0.201240 0.885238 0.013252 O\n0.246733 0.837356 0.287847 O\n0.560697 0.374270 0.859251 O\n0.169914 0.177650 0.267019 O\n0.324497 0.393994 0.747019 O\n0.038649 0.738773 0.316476 O\n0.507968 0.560553 0.729938 O\n0.973147 0.677397 0.070643 O\n0.539099 0.641292 0.424407 O\n0.390273 0.214221 0.398030 O\n0.442771 0.204761 0.702422 O\n0.663628 0.273565 0.341926 O\n0.717165 0.920744 0.598737 O\n0.889268 0.873479 0.857317 O\n0.211165 0.951098 0.625820 O\n0.682771 0.721707 0.835320 O\n0.214104 0.401529 0.225007 O\n0.889750 0.585136 0.819219 O\n0.281830 0.723650 0.520989 O\n0.597446 0.834260 0.258411 O\n0.998668 0.764491 0.541903 O\n0.815721 0.805322 0.367307 O\n0.895219 0.206591 0.224589 O\n0.041565 0.319176 0.770698 O\n0.100406 0.225535 0.050409 O\n0.753738 0.693784 0.542878 O\n0.745400 0.481198 0.663542 O\n0.276687 0.459295 0.530344 O\n0.616035 0.175913 0.537088 O\n0.449777 0.885145 0.465639 O\n0.723252 0.623914 0.234715 O\n0.047744 0.993410 0.395895 O\n",
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"formula_full": "Hf34 O68",
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"updated_at": "2021-11-28T01:37:14.495000Z",
"spacegroup": 1
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{
"id": "mp-1204061",
"created_at": "2022-09-04T14:45:43.003251Z",
"structure_string": "K16 As8 Se20\n1.0\n23.287769 0.000000 0.000000\n0.000000 7.788930 0.000000\n0.000000 5.206480 8.321097\nK As Se\n16 8 20\ndirect\n0.540518 0.751245 0.495340 K\n0.959482 0.751245 0.995340 K\n0.459482 0.248755 0.504660 K\n0.040518 0.248755 0.004660 K\n0.754943 0.748354 0.496501 K\n0.745057 0.748354 0.996501 K\n0.245057 0.251646 0.503499 K\n0.254943 0.251646 0.003499 K\n0.547193 0.751374 0.996047 K\n0.952807 0.751374 0.496047 K\n0.452807 0.248626 0.003953 K\n0.047193 0.248626 0.503953 K\n0.655641 0.233546 0.509613 K\n0.844359 0.233546 0.009613 K\n0.344359 0.766454 0.490387 K\n0.155641 0.766454 0.990387 K\n0.642471 0.155561 0.138482 As\n0.857529 0.155561 0.638482 As\n0.357529 0.844439 0.861518 As\n0.142471 0.844439 0.361518 As\n0.647838 0.355012 0.826880 As\n0.852162 0.355012 0.326880 As\n0.352162 0.644988 0.173120 As\n0.147838 0.644988 0.673120 As\n0.642849 0.805676 0.230271 Se\n0.857151 0.805676 0.730271 Se\n0.357151 0.194324 0.769729 Se\n0.142849 0.194324 0.269729 Se\n0.729322 0.238375 0.219680 Se\n0.770678 0.238375 0.719680 Se\n0.270678 0.761625 0.780320 Se\n0.229322 0.761625 0.280320 Se\n0.561836 0.242277 0.239908 Se\n0.938164 0.242277 0.739908 Se\n0.438164 0.757723 0.760092 Se\n0.061836 0.757723 0.260092 Se\n0.641781 0.694610 0.761738 Se\n0.858219 0.694610 0.261738 Se\n0.358219 0.305390 0.238262 Se\n0.141781 0.305390 0.738262 Se\n0.559056 0.264273 0.760335 Se\n0.940944 0.264273 0.260335 Se\n0.440944 0.735727 0.239665 Se\n0.059056 0.735727 0.739665 Se\n",
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"formula_full": "K16 As8 Se20",
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{
"id": "mp-10519",
"created_at": "2022-09-04T14:45:43.026336Z",
"structure_string": "Cu4 Sn2 S6\n1.0\n5.797170 3.346741 0.000000\n-5.797170 3.346741 0.000000\n0.000000 2.265087 6.330159\nCu Sn S\n4 2 6\ndirect\n0.558203 0.395201 0.013552 Cu\n0.737361 0.241302 0.512017 Cu\n0.395201 0.558203 0.513552 Cu\n0.241302 0.737361 0.012017 Cu\n0.091210 0.906049 0.495626 Sn\n0.906049 0.091210 0.995626 Sn\n0.756261 0.939306 0.396659 S\n0.939306 0.756261 0.896659 S\n0.593212 0.116085 0.875923 S\n0.116085 0.593212 0.375923 S\n0.300928 0.470280 0.877224 S\n0.470280 0.300928 0.377224 S\n",
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"formula_full": "Cu4 Sn2 S6",
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{
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{
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{
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{
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"structure_string": "Li1 Mg1 Pb2\n1.0\n0.000000 3.710129 3.710129\n3.710129 0.000000 3.710129\n3.710129 3.710129 0.000000\nLi Mg Pb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n",
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{
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"structure_string": "Mg12 Ni2 W2\n1.0\n4.780002 0.000000 0.000000\n0.000000 5.752142 0.000000\n0.000000 0.000000 10.671115\nMg Ni W\n12 2 2\ndirect\n0.500000 0.750991 0.926675 Mg\n0.500000 0.249009 0.926675 Mg\n0.000000 0.244196 0.583760 Mg\n0.000000 0.755804 0.583760 Mg\n0.000000 0.500000 0.811753 Mg\n0.000000 0.000000 0.821792 Mg\n0.500000 0.250991 0.426675 Mg\n0.500000 0.749009 0.426675 Mg\n0.000000 0.744196 0.083760 Mg\n0.000000 0.255804 0.083760 Mg\n0.000000 0.000000 0.311753 Mg\n0.000000 0.500000 0.321792 Mg\n0.500000 0.500000 0.667678 Ni\n0.500000 0.000000 0.167678 Ni\n0.500000 0.000000 0.677904 W\n0.500000 0.500000 0.177904 W\n",
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{
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"formula_reduced": "InAs",
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{
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"structure_string": "K2 Y1 Ag1 Br6\n1.0\n0.000000 5.639381 5.639381\n5.639381 0.000000 5.639381\n5.639381 5.639381 0.000000\nK Y Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.747270 0.252730 0.252730 Br\n0.252730 0.252730 0.747270 Br\n0.252730 0.747270 0.747270 Br\n0.252730 0.747270 0.252730 Br\n0.747270 0.252730 0.747270 Br\n0.747270 0.747270 0.252730 Br\n",
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"formula_full": "K2 Y1 Ag1 Br6",
"formula_reduced": "K2YAgBr6",
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{
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"density": 5.447034871046193,
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]
}