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{
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{
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"structure_string": "Cs4 Zn2 H24 Se4 O28\n1.0\n13.276622 0.000000 0.000000\n0.000000 6.593559 0.000000\n0.000000 2.519691 9.146748\nCs Zn H Se O\n4 2 24 4 28\ndirect\n0.353007 0.650443 0.134004 Cs\n0.853007 0.349557 0.365996 Cs\n0.146993 0.650443 0.634004 Cs\n0.646993 0.349557 0.865996 Cs\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.062254 0.330538 0.093734 H\n0.861755 0.691142 0.029477 H\n0.403051 0.073450 0.229369 H\n0.629321 0.095427 0.268541 H\n0.093480 0.685849 0.199181 H\n0.822367 0.000535 0.144265 H\n0.322367 0.999465 0.355735 H\n0.593480 0.314151 0.300819 H\n0.129321 0.904573 0.231459 H\n0.903051 0.926550 0.270631 H\n0.361755 0.308858 0.470523 H\n0.562254 0.669462 0.406266 H\n0.437746 0.330538 0.593734 H\n0.638245 0.691142 0.529477 H\n0.096949 0.073450 0.729369 H\n0.870679 0.095427 0.768541 H\n0.406520 0.685849 0.699181 H\n0.677633 0.000535 0.644265 H\n0.177633 0.999465 0.855735 H\n0.906520 0.314151 0.800819 H\n0.370679 0.904573 0.731459 H\n0.596949 0.926550 0.770631 H\n0.138245 0.308858 0.970523 H\n0.937746 0.669462 0.906266 H\n0.645026 0.743667 0.102964 Se\n0.145026 0.256333 0.397036 Se\n0.854974 0.743667 0.602964 Se\n0.354974 0.256333 0.897036 Se\n0.065814 0.288816 0.000445 O\n0.426503 0.203277 0.047584 O\n0.893946 0.018281 0.169604 O\n0.744832 0.600059 0.080122 O\n0.110158 0.835948 0.153829 O\n0.685325 0.966585 0.140151 O\n0.075479 0.400826 0.257527 O\n0.575479 0.599174 0.242473 O\n0.185325 0.033415 0.359849 O\n0.610158 0.164052 0.346171 O\n0.244832 0.399941 0.419878 O\n0.393946 0.981719 0.330396 O\n0.434186 0.288816 0.500445 O\n0.073497 0.203277 0.547584 O\n0.926503 0.796723 0.452416 O\n0.565814 0.711184 0.499555 O\n0.606054 0.018281 0.669604 O\n0.755168 0.600059 0.580122 O\n0.389842 0.835948 0.653829 O\n0.814675 0.966585 0.640151 O\n0.424521 0.400826 0.757527 O\n0.924521 0.599174 0.742473 O\n0.314675 0.033415 0.859849 O\n0.889842 0.164052 0.846171 O\n0.255168 0.399941 0.919878 O\n0.106054 0.981719 0.830396 O\n0.573497 0.796723 0.952416 O\n0.934186 0.711184 0.999555 O\n",
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{
"id": "mp-1033692",
"created_at": "2022-09-04T14:40:53.043526Z",
"structure_string": "Hf1 Mg14 Cd1 O16\n1.0\n8.753049 0.000000 0.000000\n0.000000 8.835899 0.000000\n0.000000 0.000000 4.353399\nHf Mg Cd O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.240104 0.500000 Mg\n0.000000 0.759896 0.500000 Mg\n0.500000 0.248523 0.500000 Mg\n0.500000 0.751477 0.500000 Mg\n0.256098 0.000000 0.500000 Mg\n0.259263 0.500000 0.500000 Mg\n0.743902 0.000000 0.500000 Mg\n0.740737 0.500000 0.500000 Mg\n0.259383 0.243613 -0.000000 Mg\n0.259383 0.756387 -0.000000 Mg\n0.740617 0.243613 0.000000 Mg\n0.740617 0.756387 0.000000 Mg\n0.000000 0.000000 0.000000 Cd\n0.274147 0.000000 -0.000000 O\n0.253235 0.500000 0.000000 O\n0.725853 0.000000 0.000000 O\n0.746765 0.500000 -0.000000 O\n0.250649 0.252715 0.500000 O\n0.250649 0.747285 0.500000 O\n0.749351 0.252715 0.500000 O\n0.749351 0.747285 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.270185 0.000000 O\n0.000000 0.729815 0.000000 O\n0.500000 0.256913 0.000000 O\n0.500000 0.743087 0.000000 O\n",
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{
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{
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"structure_string": "Sr24 N16\n1.0\n-6.176247 6.176247 6.176247\n6.176247 -6.176247 6.176247\n6.176247 6.176247 -6.176247\nSr N\n24 16\ndirect\n0.539911 0.266942 0.994912 Sr\n0.455001 0.494912 0.227970 Sr\n0.766942 0.227031 0.272030 Sr\n0.227031 0.272030 0.766942 Sr\n0.544999 0.505088 0.772030 Sr\n0.733058 0.005088 0.460089 Sr\n0.039911 0.044999 0.272969 Sr\n0.044999 0.272969 0.039911 Sr\n0.994912 0.539911 0.266942 Sr\n0.955001 0.727031 0.960089 Sr\n0.494912 0.227970 0.455001 Sr\n0.505088 0.772030 0.544999 Sr\n0.772030 0.544999 0.505088 Sr\n0.772969 0.727970 0.233058 Sr\n0.233058 0.772969 0.727970 Sr\n0.460089 0.733058 0.005088 Sr\n0.227970 0.455001 0.494912 Sr\n0.272030 0.766942 0.227031 Sr\n0.727031 0.960089 0.955001 Sr\n0.960089 0.955001 0.727031 Sr\n0.266942 0.994912 0.539911 Sr\n0.272969 0.039911 0.044999 Sr\n0.727970 0.233058 0.772969 Sr\n0.005088 0.460089 0.733058 Sr\n0.750000 0.955565 0.205565 N\n0.455565 0.705565 0.750000 N\n0.794435 0.250000 0.044435 N\n0.205565 0.750000 0.955565 N\n0.250000 0.544435 0.294435 N\n0.250000 0.044435 0.794435 N\n0.750000 0.455565 0.705565 N\n0.294435 0.250000 0.544435 N\n0.955565 0.205565 0.750000 N\n0.705565 0.750000 0.455565 N\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.544435 0.294435 0.250000 N\n0.044435 0.794435 0.250000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.500000 0.500000 N\n",
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{
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"structure_string": "Li12 Al8 Cr4 O24\n1.0\n-1.697874 0.000000 4.809579\n0.000001 8.629882 0.000000\n-8.270191 -0.000001 -4.855262\nLi Al Cr O\n12 8 4 24\ndirect\n0.000000 0.500000 0.500000 Li\n0.250001 0.000000 0.750000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.000000 0.250000 Li\n0.000001 0.167562 0.500000 Li\n0.250000 0.667562 0.750000 Li\n0.500000 0.167562 0.000000 Li\n0.750000 0.667562 0.250000 Li\n0.000001 0.832438 0.500000 Li\n0.250000 0.332438 0.750000 Li\n0.500000 0.832438 0.000000 Li\n0.750000 0.332439 0.250000 Li\n0.500001 0.333282 0.500001 Al\n0.750000 0.833283 0.749999 Al\n0.000000 0.333283 0.000000 Al\n0.250000 0.833283 0.250000 Al\n0.500001 0.666718 0.500001 Al\n0.750000 0.166718 0.749999 Al\n0.000000 0.666718 0.000000 Al\n0.250000 0.166718 0.250000 Al\n0.500007 0.999999 0.500000 Cr\n0.749994 0.499990 0.750003 Cr\n0.999993 0.999999 0.999991 Cr\n0.249998 0.499999 0.250004 Cr\n0.395534 0.500000 0.613688 O\n0.645534 0.000000 0.863689 O\n0.895534 0.500000 0.113689 O\n0.145534 0.000000 0.363688 O\n0.604467 0.500000 0.386311 O\n0.854467 0.000000 0.636312 O\n0.104467 0.500000 0.886312 O\n0.354467 0.000000 0.136311 O\n0.843914 0.672930 0.626933 O\n0.093912 0.172931 0.876935 O\n0.343913 0.672931 0.126933 O\n0.593911 0.172931 0.376934 O\n0.843914 0.327070 0.626933 O\n0.093912 0.827070 0.876934 O\n0.343913 0.327069 0.126934 O\n0.593911 0.827070 0.376933 O\n0.156088 0.672930 0.373065 O\n0.406086 0.172930 0.623067 O\n0.656089 0.672931 0.873066 O\n0.906087 0.172931 0.123067 O\n0.156088 0.327070 0.373065 O\n0.406086 0.827070 0.623067 O\n0.656089 0.327070 0.873066 O\n0.906088 0.827069 0.123067 O\n",
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"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n8.296307 0.000000 0.000000\n0.000000 4.863057 0.000000\n0.000000 0.343588 13.360200\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.359471 0.414386 0.412940 Li\n0.859471 0.585614 0.587060 Li\n0.362350 0.910889 0.912273 Li\n0.862350 0.089111 0.087727 Li\n0.997676 0.401673 0.384427 Mn\n0.497676 0.598327 0.615573 Mn\n0.001084 0.898861 0.886669 V\n0.501084 0.101139 0.113331 V\n0.181364 0.389879 0.011674 P\n0.787197 0.417931 0.793667 P\n0.287197 0.582069 0.206333 P\n0.681364 0.610121 0.988326 P\n0.176461 0.891715 0.508298 P\n0.784121 0.919231 0.294352 P\n0.284121 0.080769 0.705648 P\n0.676461 0.108285 0.491702 P\n0.839359 0.247423 0.502451 O\n0.532658 0.300968 0.509196 O\n0.679188 0.344475 0.052247 O\n0.436844 0.395055 0.206381 O\n0.325063 0.380857 0.677663 O\n0.154401 0.468971 0.126813 O\n0.702644 0.433410 0.692851 O\n0.654401 0.531029 0.873187 O\n0.202644 0.566590 0.307149 O\n0.936844 0.604945 0.793619 O\n0.825063 0.619143 0.322337 O\n0.179188 0.655525 0.947753 O\n0.032658 0.699032 0.490804 O\n0.845076 0.754850 0.997057 O\n0.339359 0.752577 0.497549 O\n0.539887 0.804294 0.008307 O\n0.670822 0.837965 0.554959 O\n0.326321 0.874498 0.172668 O\n0.433620 0.894166 0.707888 O\n0.695874 0.937541 0.194150 O\n0.154097 0.972590 0.624737 O\n0.195874 0.062459 0.805850 O\n0.654097 0.027410 0.375263 O\n0.826321 0.125502 0.827332 O\n0.933620 0.105834 0.292112 O\n0.170822 0.162035 0.445041 O\n0.039887 0.195706 0.991693 O\n0.345076 0.245150 0.002943 O\n",
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{
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"structure_string": "K4 Al8 Br28\n1.0\n11.368256 0.000000 0.000000\n0.000000 11.096346 0.000000\n0.000000 8.346641 12.342090\nK Al Br\n4 8 28\ndirect\n0.381266 0.886162 0.380941 K\n0.881266 0.113838 0.119059 K\n0.618734 0.113838 0.619059 K\n0.118734 0.886162 0.880941 K\n0.287315 0.599843 0.797469 Al\n0.787315 0.400157 0.702531 Al\n0.712685 0.400157 0.202531 Al\n0.212685 0.599843 0.297469 Al\n0.216278 0.172411 0.545735 Al\n0.716278 0.827589 0.954265 Al\n0.783722 0.827589 0.454265 Al\n0.283722 0.172411 0.045735 Al\n0.406876 0.378999 0.915398 Br\n0.906876 0.621001 0.584602 Br\n0.593124 0.621001 0.084602 Br\n0.093124 0.378999 0.415398 Br\n0.132626 0.152060 0.950804 Br\n0.632626 0.847940 0.549196 Br\n0.867374 0.847940 0.049196 Br\n0.367374 0.152060 0.450804 Br\n0.213762 0.207453 0.174179 Br\n0.713762 0.792547 0.325821 Br\n0.786238 0.792547 0.825821 Br\n0.286238 0.207453 0.674179 Br\n0.417017 0.984158 0.119753 Br\n0.917017 0.015842 0.380247 Br\n0.582983 0.015842 0.880247 Br\n0.082983 0.984158 0.619753 Br\n0.223537 0.618826 0.135960 Br\n0.723537 0.381174 0.364040 Br\n0.776463 0.381174 0.864040 Br\n0.276463 0.618826 0.635960 Br\n0.105051 0.778457 0.294320 Br\n0.605051 0.221543 0.205680 Br\n0.894949 0.221543 0.705680 Br\n0.394949 0.778457 0.794320 Br\n0.391577 0.567263 0.379583 Br\n0.891577 0.432737 0.120417 Br\n0.608423 0.432737 0.620417 Br\n0.108423 0.567263 0.879583 Br\n",
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"formula_full": "K4 Al8 Br28",
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"spacegroup": 14
},
{
"id": "mp-753533",
"created_at": "2022-09-04T14:40:26.675763Z",
"structure_string": "Li3 V1 F8\n1.0\n2.936490 -4.401754 0.000000\n2.936490 4.401754 0.000000\n0.000000 0.000000 6.317894\nLi V F\n3 1 8\ndirect\n0.000000 0.500000 0.159937 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.840063 Li\n0.500000 0.500000 0.500000 V\n0.295154 0.704846 0.500000 F\n0.293697 0.706303 0.000000 F\n0.298289 0.268261 0.706959 F\n0.268261 0.298289 0.293041 F\n0.731739 0.701711 0.293041 F\n0.701711 0.731739 0.706959 F\n0.706303 0.293697 0.000000 F\n0.704846 0.295154 0.500000 F\n",
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"elements": [
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"density": 2.2748819572199457,
"density_atomic": 0.07347246682506277,
"volume": 163.32648839152066,
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"formula_full": "Li3 V1 F8",
"formula_reduced": "Li3VF8",
"formula_anonymous": "AB3C8",
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"spacegroup": 21
},
{
"id": "mp-1103578",
"created_at": "2022-09-04T14:40:55.107003Z",
"structure_string": "Nd4 Ga4 Co4\n1.0\n4.324356 0.000000 0.000000\n0.000000 7.058111 0.000000\n0.000000 0.000000 7.471169\nNd Ga Co\n4 4 4\ndirect\n0.250000 0.020751 0.810634 Nd\n0.250000 0.520751 0.689366 Nd\n0.750000 0.979249 0.189366 Nd\n0.750000 0.479249 0.310634 Nd\n0.250000 0.166115 0.422431 Ga\n0.250000 0.666115 0.077569 Ga\n0.750000 0.833885 0.577569 Ga\n0.750000 0.333885 0.922431 Ga\n0.250000 0.803247 0.396717 Co\n0.250000 0.303247 0.103283 Co\n0.750000 0.196753 0.603283 Co\n0.750000 0.696753 0.896717 Co\n",
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"density": 7.948977501019867,
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"volume": 228.03341131308213,
"volume_molar": 11.443744174252975,
"formula_full": "Nd4 Ga4 Co4",
"formula_reduced": "NdGaCo",
"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "mp-18805",
"created_at": "2022-09-04T14:41:05.347669Z",
"structure_string": "Sr2 Co1 Mo1 O6\n1.0\n-2.780232 2.780232 3.937287\n2.780232 -2.780232 3.937287\n2.780232 2.780232 -3.937287\nSr Co Mo O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Mo\n0.252250 0.252250 0.000000 O\n0.286946 0.215931 0.502877 O\n0.215931 0.713054 0.928985 O\n0.784069 0.286946 0.071015 O\n0.747750 0.747750 0.000000 O\n0.713054 0.784069 0.497123 O\n",
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"elements": [
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],
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"density": 5.812343486645455,
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"formula_full": "Sr2 Co1 Mo1 O6",
"formula_reduced": "Sr2CoMoO6",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-777888",
"created_at": "2022-09-04T14:40:54.106716Z",
"structure_string": "Li4 Fe4 F12\n1.0\n6.105144 0.000000 0.000000\n-0.018442 6.111703 0.000000\n-0.005191 -0.010330 6.126751\nLi Fe F\n4 4 12\ndirect\n0.879735 0.119001 0.121682 Li\n0.619480 0.879416 0.623894 Li\n0.374907 0.377000 0.877591 Li\n0.122696 0.625562 0.379775 Li\n0.159476 0.835034 0.835437 Fe\n0.665468 0.658871 0.161064 Fe\n0.834945 0.337837 0.658023 Fe\n0.340545 0.162223 0.333928 Fe\n0.623588 0.987011 0.268563 F\n0.484430 0.730458 0.876547 F\n0.272519 0.877631 0.508857 F\n0.769047 0.630885 0.488399 F\n0.987328 0.766276 0.127080 F\n0.127685 0.511872 0.731609 F\n0.371129 0.488088 0.230919 F\n0.510728 0.230277 0.630080 F\n0.735961 0.376879 0.983622 F\n0.231286 0.125339 0.012072 F\n0.010068 0.270851 0.379896 F\n0.878980 0.009488 0.770964 F\n",
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]
}