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{
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"results": [
{
"id": "mp-24018",
"created_at": "2022-09-04T14:47:27.795774Z",
"structure_string": "Ca4 Zn4 As4 H4 O20\n1.0\n6.024186 0.000000 0.000000\n0.000000 7.603790 0.000000\n0.000000 0.000000 9.166059\nCa Zn As H O\n4 4 4 4 20\ndirect\n0.023495 0.369122 0.827367 Ca\n0.523495 0.130878 0.172633 Ca\n0.976505 0.869122 0.672633 Ca\n0.476505 0.630878 0.327367 Ca\n0.258467 0.765175 0.993378 Zn\n0.758467 0.734825 0.006622 Zn\n0.741533 0.265175 0.506622 Zn\n0.241533 0.234825 0.493378 Zn\n0.982642 0.374525 0.175230 As\n0.482642 0.125475 0.824770 As\n0.017358 0.874525 0.324770 As\n0.517358 0.625475 0.675230 As\n0.978542 0.005884 0.979491 H\n0.478542 0.494116 0.020509 H\n0.021458 0.505884 0.520509 H\n0.521458 0.994116 0.479491 H\n0.991637 0.891731 0.927176 O\n0.491637 0.608269 0.072824 O\n0.008363 0.391731 0.572824 O\n0.508363 0.108269 0.427176 O\n0.745218 0.605311 0.789139 O\n0.245218 0.894689 0.210861 O\n0.254782 0.105311 0.710861 O\n0.754782 0.394689 0.289139 O\n0.489421 0.449543 0.554531 O\n0.989421 0.050457 0.445469 O\n0.510579 0.949543 0.945469 O\n0.010579 0.550457 0.054531 O\n0.591204 0.794950 0.560103 O\n0.091204 0.705050 0.439897 O\n0.408796 0.294950 0.939897 O\n0.908796 0.205050 0.060103 O\n0.231284 0.347928 0.267087 O\n0.731284 0.152072 0.732913 O\n0.768716 0.847928 0.232913 O\n0.268716 0.652072 0.767087 O\n",
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},
{
"id": "mp-1147741",
"created_at": "2022-09-04T14:47:08.552437Z",
"structure_string": "Li32 Zn8 P16 S64\n1.0\n9.562149 0.000000 0.000000\n0.011881 11.503887 0.000000\n0.049829 0.058778 22.954975\nLi Zn P S\n32 8 16 64\ndirect\n0.251845 0.758550 0.001756 Li\n0.250828 0.249649 0.747773 Li\n0.257319 0.747007 0.744874 Li\n0.746850 0.490298 0.871530 Li\n0.751258 0.008305 0.873505 Li\n0.751015 0.004026 0.629832 Li\n0.251994 0.744648 0.246265 Li\n0.748489 0.498366 0.374094 Li\n0.008437 0.248882 0.876139 Li\n0.000015 0.252216 0.624313 Li\n0.001064 0.746478 0.623642 Li\n0.509362 0.497203 0.748466 Li\n0.498916 0.999484 0.749997 Li\n0.984127 0.749806 0.125210 Li\n0.500726 0.497624 0.249004 Li\n0.500051 0.003540 0.000608 Li\n0.997383 0.999092 0.004471 Li\n0.998969 0.495753 0.000352 Li\n0.002494 0.003234 0.749647 Li\n0.999361 0.501530 0.747157 Li\n0.490267 0.247280 0.877326 Li\n0.499420 0.751332 0.874578 Li\n0.002776 0.999207 0.498588 Li\n0.000155 0.498774 0.503817 Li\n0.503695 0.253531 0.624336 Li\n0.505633 0.746958 0.624100 Li\n0.994724 0.002811 0.250642 Li\n0.999287 0.500095 0.247565 Li\n0.489148 0.249578 0.373165 Li\n0.491736 0.752686 0.375838 Li\n0.498590 0.248685 0.125936 Li\n0.515943 0.749269 0.125390 Li\n0.999598 0.751452 0.874036 Zn\n0.006364 0.249636 0.373544 Zn\n0.998623 0.749966 0.377086 Zn\n0.492424 0.499512 0.502053 Zn\n0.493757 0.003274 0.499121 Zn\n0.001652 0.250144 0.125034 Zn\n0.508023 0.998565 0.250459 Zn\n0.499880 0.499043 0.000575 Zn\n0.246126 0.996018 0.876810 P\n0.253385 0.507521 0.872924 P\n0.250833 0.995579 0.624940 P\n0.251469 0.494765 0.625696 P\n0.753784 0.247957 0.751450 P\n0.748119 0.757256 0.751277 P\n0.251869 0.999971 0.373962 P\n0.245786 0.506250 0.375691 P\n0.743077 0.245482 0.498211 P\n0.752078 0.746371 0.498705 P\n0.250356 0.003101 0.124053 P\n0.250161 0.496663 0.126604 P\n0.754081 0.249084 0.253240 P\n0.747014 0.754460 0.250773 P\n0.750210 0.256501 0.997506 P\n0.749991 0.743714 0.998852 P\n0.367312 0.105305 0.072486 S\n0.367859 0.605918 0.069868 S\n0.363708 0.100483 0.822687 S\n0.374609 0.609172 0.819960 S\n0.870169 0.359309 0.944002 S\n0.867150 0.854379 0.943335 S\n0.372614 0.103630 0.572115 S\n0.370274 0.603857 0.572436 S\n0.870220 0.352135 0.699441 S\n0.874783 0.856936 0.698458 S\n0.361214 0.103000 0.316739 S\n0.365377 0.607138 0.320884 S\n0.869038 0.351041 0.444198 S\n0.859111 0.855624 0.442690 S\n0.864795 0.353005 0.196027 S\n0.868706 0.856540 0.200315 S\n0.131318 0.400709 0.823145 S\n0.132603 0.886010 0.820255 S\n0.137237 0.392261 0.572828 S\n0.130635 0.895223 0.572996 S\n0.635311 0.649838 0.700635 S\n0.629907 0.144393 0.698772 S\n0.133879 0.394325 0.322688 S\n0.131392 0.888132 0.322404 S\n0.624538 0.640166 0.446420 S\n0.627791 0.139627 0.444293 S\n0.132867 0.391458 0.072760 S\n0.133370 0.889334 0.075004 S\n0.636893 0.643280 0.200685 S\n0.639824 0.139972 0.200192 S\n0.629861 0.635830 0.943939 S\n0.634337 0.145101 0.946988 S\n0.371102 0.892717 0.928465 S\n0.362537 0.401229 0.929470 S\n0.374435 0.891417 0.677474 S\n0.372132 0.391998 0.679575 S\n0.873841 0.143009 0.805037 S\n0.871008 0.646413 0.804645 S\n0.359788 0.895152 0.430940 S\n0.362480 0.399667 0.429539 S\n0.863597 0.144007 0.551544 S\n0.857357 0.643270 0.553694 S\n0.370772 0.895536 0.180694 S\n0.367249 0.394876 0.178379 S\n0.868399 0.143056 0.308128 S\n0.868276 0.645739 0.307082 S\n0.863167 0.152040 0.054098 S\n0.870133 0.642124 0.049679 S\n0.123881 0.095869 0.927766 S\n0.130320 0.612934 0.927664 S\n0.136292 0.107084 0.677147 S\n0.136875 0.607023 0.677424 S\n0.626306 0.349475 0.804140 S\n0.633340 0.862124 0.805807 S\n0.138552 0.110931 0.426113 S\n0.130131 0.612231 0.429999 S\n0.636669 0.361026 0.550330 S\n0.629906 0.859588 0.549269 S\n0.130064 0.107436 0.177777 S\n0.131894 0.609644 0.175981 S\n0.634284 0.357592 0.304293 S\n0.631950 0.860731 0.306296 S\n0.631472 0.360854 0.051702 S\n0.632558 0.851909 0.047675 S\n",
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"P",
"S"
],
"chemical_system": "Li-P-S-Zn",
"density": 2.16561010337876,
"density_atomic": 0.047523050275530984,
"volume": 2525.0904414649176,
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"formula_full": "Li32 Zn8 P16 S64",
"formula_reduced": "Li4Zn(PS4)2",
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"updated_at": "2021-11-28T01:37:54.269000Z",
"spacegroup": 1
},
{
"id": "mp-5477",
"created_at": "2022-09-04T14:42:41.290590Z",
"structure_string": "Na10 Nb2 O10\n1.0\n5.181119 3.182508 0.000000\n-5.181119 3.182508 0.000000\n0.000000 2.882451 9.722903\nNa Nb O\n10 2 10\ndirect\n0.678814 0.996147 0.077061 Na\n0.003853 0.321186 0.422939 Na\n0.784408 0.556402 0.949224 Na\n0.443598 0.215592 0.550776 Na\n0.215592 0.443598 0.050776 Na\n0.556402 0.784408 0.449224 Na\n0.667472 0.332528 0.250000 Na\n0.332528 0.667472 0.750000 Na\n0.996147 0.678814 0.577061 Na\n0.321186 0.003853 0.922939 Na\n0.092398 0.907602 0.250000 Nb\n0.907602 0.092398 0.750000 Nb\n0.093034 0.906966 0.750000 O\n0.906966 0.093034 0.250000 O\n0.695565 0.038401 0.618797 O\n0.961599 0.304435 0.881203 O\n0.404265 0.189434 0.103989 O\n0.810566 0.595735 0.396011 O\n0.595735 0.810566 0.896011 O\n0.189434 0.404265 0.603989 O\n0.304435 0.961599 0.381203 O\n0.038401 0.695565 0.118797 O\n",
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"density_atomic": 0.06861256587972346,
"volume": 320.6409746950083,
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"formula_full": "Na10 Nb2 O10",
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"energy": -132.13665187,
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"spacegroup": 15
},
{
"id": "mp-723483",
"created_at": "2022-09-04T14:40:06.769161Z",
"structure_string": "Sr4 Zn2 H12 O12\n1.0\n6.822614 0.000000 0.000000\n0.000000 6.341773 0.000000\n0.000000 5.664055 9.634924\nSr Zn H O\n4 2 12 12\ndirect\n0.575426 0.171552 0.650741 Sr\n0.924574 0.171552 0.150741 Sr\n0.424574 0.828448 0.349259 Sr\n0.075426 0.828448 0.849259 Sr\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.677292 0.821265 0.581124 H\n0.822708 0.821265 0.081124 H\n0.322708 0.178735 0.418876 H\n0.177292 0.178735 0.918876 H\n0.739119 0.912536 0.520642 H\n0.760881 0.912536 0.020642 H\n0.260881 0.087464 0.479358 H\n0.239119 0.087464 0.979358 H\n0.221978 0.518872 0.153858 H\n0.278022 0.518872 0.653858 H\n0.778022 0.481128 0.846142 H\n0.721978 0.481128 0.346142 H\n0.614445 0.216562 0.251269 O\n0.885555 0.216562 0.751269 O\n0.385555 0.783438 0.748731 O\n0.114445 0.783438 0.248731 O\n0.702131 0.528742 0.416050 O\n0.797869 0.528742 0.916050 O\n0.297869 0.471258 0.583950 O\n0.202131 0.471258 0.083950 O\n0.063752 0.840521 0.363663 O\n0.436248 0.840521 0.863663 O\n0.936248 0.159479 0.636337 O\n0.563752 0.159479 0.136337 O\n",
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"formula_full": "Sr4 Zn2 H12 O12",
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},
{
"id": "mp-864942",
"created_at": "2022-09-04T14:42:08.019578Z",
"structure_string": "Mg6 Tc2 H14\n1.0\n2.420473 -4.192382 0.000000\n2.420473 4.192382 0.000000\n0.000000 0.000000 10.537206\nMg Tc H\n6 2 14\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.432580 Mg\n0.666667 0.333333 0.567420 Mg\n0.666667 0.333333 0.932580 Mg\n0.333333 0.666667 0.067420 Mg\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n0.168603 0.831397 0.901900 H\n0.168603 0.337206 0.901900 H\n0.662794 0.831397 0.901900 H\n0.831397 0.168603 0.098100 H\n0.831397 0.662794 0.098100 H\n0.337206 0.168603 0.098100 H\n0.831397 0.168603 0.401900 H\n0.831397 0.662794 0.401900 H\n0.337206 0.168603 0.401900 H\n0.168603 0.831397 0.598100 H\n0.168603 0.337206 0.598100 H\n0.662794 0.831397 0.598100 H\n",
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"formula_full": "Mg6 Tc2 H14",
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},
{
"id": "mp-849366",
"created_at": "2022-09-04T14:45:22.467876Z",
"structure_string": "Li2 Co6 O2 F10\n1.0\n6.025393 0.000000 0.000000\n-0.238994 6.168243 0.000000\n-0.150505 -0.255583 6.178848\nLi Co O F\n2 6 2 10\ndirect\n0.507026 0.493197 0.498496 Li\n0.994087 0.983148 0.986331 Li\n0.273368 0.094171 0.556899 Co\n0.930894 0.452653 0.758355 Co\n0.415163 0.735044 0.916052 Co\n0.555370 0.244440 0.100287 Co\n0.066716 0.570445 0.232174 Co\n0.749491 0.945791 0.434667 Co\n0.092269 0.671982 0.936843 O\n0.543114 0.171905 0.401354 O\n0.318849 0.089891 0.899521 F\n0.932218 0.100940 0.691727 F\n0.596333 0.450097 0.820963 F\n0.178738 0.413838 0.528733 F\n0.817914 0.613942 0.457847 F\n0.456290 0.803135 0.601459 F\n0.903722 0.293544 0.089100 F\n0.414048 0.543497 0.199320 F\n0.077770 0.927865 0.321722 F\n0.676620 0.900477 0.068147 F\n",
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{
"id": "mp-650026",
"created_at": "2022-09-04T14:46:19.362659Z",
"structure_string": "Pr4 In8 Cl20\n1.0\n8.233561 0.000000 0.000000\n0.000000 8.896030 0.000000\n0.000000 0.000000 13.008818\nPr In Cl\n4 8 20\ndirect\n0.925411 0.750000 0.505919 Pr\n0.574589 0.750000 0.005919 Pr\n0.074589 0.250000 0.494081 Pr\n0.425411 0.250000 0.994081 Pr\n0.942379 0.008724 0.830289 In\n0.057621 0.991276 0.169711 In\n0.557621 0.491276 0.330289 In\n0.057621 0.508724 0.169711 In\n0.942379 0.491276 0.830289 In\n0.442379 0.508724 0.669711 In\n0.557621 0.008724 0.330289 In\n0.442379 0.991276 0.669711 In\n0.580616 0.750000 0.506885 Cl\n0.168169 0.955868 0.429305 Cl\n0.831831 0.044132 0.570695 Cl\n0.331831 0.544132 0.929305 Cl\n0.168169 0.544132 0.429305 Cl\n0.345735 0.250000 0.204748 Cl\n0.331831 0.955868 0.929305 Cl\n0.831831 0.455868 0.570695 Cl\n0.391796 0.750000 0.187196 Cl\n0.668169 0.044132 0.070695 Cl\n0.154265 0.250000 0.704748 Cl\n0.608204 0.250000 0.812804 Cl\n0.419384 0.250000 0.493115 Cl\n0.108204 0.750000 0.687196 Cl\n0.668169 0.455868 0.070695 Cl\n0.080616 0.250000 0.993115 Cl\n0.919384 0.750000 0.006885 Cl\n0.845735 0.750000 0.295252 Cl\n0.654265 0.750000 0.795252 Cl\n0.891796 0.250000 0.312804 Cl\n",
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"formula_full": "Pr4 In8 Cl20",
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