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{
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{
"id": "mp-558387",
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"structure_string": "Te4 O4 F8\n1.0\n8.365482 0.000000 0.000000\n0.000000 5.455771 0.000000\n0.000000 0.637552 5.661372\nTe O F\n4 4 8\ndirect\n0.147453 0.480311 0.347808 Te\n0.910699 0.873003 0.964750 Te\n0.647453 0.519689 0.652192 Te\n0.410699 0.126997 0.035250 Te\n0.605618 0.305875 0.945188 O\n0.853158 0.605785 0.774654 O\n0.105618 0.694125 0.054812 O\n0.353158 0.394215 0.225346 O\n0.330876 0.341006 0.728614 F\n0.830876 0.658994 0.271386 F\n0.046366 0.002080 0.700838 F\n0.764859 0.233174 0.565010 F\n0.546366 0.997920 0.299162 F\n0.569471 0.807687 0.840456 F\n0.264859 0.766826 0.434990 F\n0.069471 0.192313 0.159544 F\n",
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{
"id": "mp-559770",
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"structure_string": "Nd16 Ga8 O36\n1.0\n11.077742 0.000000 0.000000\n0.000000 7.817944 0.000000\n0.000000 3.793137 11.017009\nNd Ga O\n16 8 36\ndirect\n0.605898 0.477675 0.283325 Nd\n0.894102 0.477675 0.783325 Nd\n0.123260 0.335862 0.568172 Nd\n0.091097 0.023396 0.193877 Nd\n0.591097 0.976604 0.306123 Nd\n0.876740 0.664138 0.431828 Nd\n0.408903 0.023396 0.693877 Nd\n0.376740 0.335862 0.068172 Nd\n0.379987 0.834906 0.088857 Nd\n0.120013 0.834906 0.588857 Nd\n0.394102 0.522325 0.716675 Nd\n0.623260 0.664138 0.931828 Nd\n0.105898 0.522325 0.216675 Nd\n0.908903 0.976604 0.806123 Nd\n0.620013 0.165094 0.911143 Nd\n0.879987 0.165094 0.411143 Nd\n0.814507 0.783871 0.126170 Ga\n0.317173 0.656051 0.385810 Ga\n0.182827 0.656051 0.885810 Ga\n0.682827 0.343949 0.614190 Ga\n0.817173 0.343949 0.114190 Ga\n0.685493 0.783871 0.626170 Ga\n0.314507 0.216129 0.373830 Ga\n0.185493 0.216129 0.873830 Ga\n0.250805 0.432852 0.386761 O\n0.770220 0.361005 0.959849 O\n0.226956 0.785975 0.250699 O\n0.994078 0.077883 0.605284 O\n0.490438 0.566365 0.104057 O\n0.972638 0.297044 0.175372 O\n0.229040 0.234329 0.231661 O\n0.475746 0.216184 0.337537 O\n0.527362 0.297044 0.675372 O\n0.494078 0.922117 0.894716 O\n0.273044 0.785975 0.750699 O\n0.729040 0.765671 0.268339 O\n0.729780 0.361005 0.459849 O\n0.270960 0.234329 0.731661 O\n0.009562 0.566365 0.604057 O\n0.264365 0.074022 0.524960 O\n0.524254 0.783816 0.662463 O\n0.235635 0.074022 0.024960 O\n0.024254 0.216184 0.837537 O\n0.229780 0.638995 0.040151 O\n0.249195 0.432852 0.886761 O\n0.005922 0.922117 0.394716 O\n0.270220 0.638995 0.540151 O\n0.990438 0.433635 0.395943 O\n0.735635 0.925978 0.475040 O\n0.764365 0.925978 0.975040 O\n0.027362 0.702956 0.824628 O\n0.726956 0.214025 0.249301 O\n0.770960 0.765671 0.768339 O\n0.975746 0.783816 0.162463 O\n0.773044 0.214025 0.749301 O\n0.472638 0.702956 0.324628 O\n0.505922 0.077883 0.105284 O\n0.749195 0.567148 0.613239 O\n0.750805 0.567148 0.113239 O\n0.509562 0.433635 0.895943 O\n",
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"density": 5.989717306542291,
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"volume": 954.1298999056692,
"volume_molar": 9.57650760092775,
"formula_full": "Nd16 Ga8 O36",
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"energy": -478.31279223,
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"updated_at": "2021-11-28T01:35:01.534000Z",
"spacegroup": 14
},
{
"id": "mp-685907",
"created_at": "2022-09-04T14:40:18.344820Z",
"structure_string": "Cd16 Bi8 O28\n1.0\n9.266824 0.000000 0.000000\n3.930004 9.654539 0.000000\n4.347615 0.247171 9.671977\nCd Bi O\n16 8 28\ndirect\n0.008675 0.103188 0.406684 Cd\n0.046906 0.467924 0.212948 Cd\n0.364146 0.101645 0.128792 Cd\n0.184285 0.856812 0.142802 Cd\n0.217614 0.630125 0.344440 Cd\n0.505421 0.380486 0.110555 Cd\n0.376940 0.324209 0.852006 Cd\n0.322261 0.608662 0.632935 Cd\n0.577487 0.134585 0.589000 Cd\n0.386843 0.869801 0.445184 Cd\n0.591190 0.410223 0.378763 Cd\n0.276928 0.950569 0.745541 Cd\n0.955637 0.265445 0.090362 Cd\n0.483090 0.614169 0.882158 Cd\n0.633413 0.877606 0.864122 Cd\n0.013074 0.835746 0.565984 Cd\n0.227913 0.268911 0.479134 Bi\n0.046204 0.753174 0.943549 Bi\n0.732107 0.041987 0.227155 Bi\n0.620788 0.686314 0.163536 Bi\n0.761230 0.388067 0.608665 Bi\n0.802614 0.146931 0.856094 Bi\n0.733185 0.736582 0.529760 Bi\n0.951909 0.513036 0.790470 Bi\n0.962147 0.056776 0.230962 O\n0.990728 0.328437 0.411275 O\n0.191430 0.284717 0.058278 O\n0.268319 0.420892 0.283964 O\n0.282318 0.081752 0.366118 O\n0.314761 0.139057 0.667865 O\n0.485317 0.600128 0.101885 O\n0.196977 0.552770 0.857460 O\n0.554802 0.214668 0.376361 O\n0.756209 0.229750 0.058435 O\n0.434124 0.882989 0.087651 O\n0.429662 0.648445 0.389500 O\n0.497915 0.383545 0.613635 O\n0.571225 0.101895 0.916038 O\n0.264098 0.806329 0.924461 O\n0.475672 0.750076 0.626685 O\n0.795149 0.467192 0.205616 O\n0.587253 0.376774 0.867102 O\n0.651884 0.869347 0.371346 O\n0.798633 0.168895 0.612979 O\n0.040300 0.690287 0.149827 O\n0.721183 0.907557 0.628471 O\n0.725912 0.647450 0.757609 O\n0.958534 0.328808 0.696293 O\n0.900060 0.960939 0.999145 O\n0.830507 0.713895 0.943191 O\n0.094647 0.589932 0.596493 O\n0.106373 0.841497 0.727718 O\n",
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],
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"density": 7.519352076336967,
"density_atomic": 0.060093241711318496,
"volume": 865.321931704108,
"volume_molar": 10.021327837379319,
"formula_full": "Cd16 Bi8 O28",
"formula_reduced": "Cd4Bi2O7",
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"energy": -253.71082247,
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{
"id": "mp-30287",
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"structure_string": "Lu4 P4 S16\n1.0\n6.510494 0.000000 0.000000\n0.000000 8.694011 0.000000\n0.000000 6.376635 10.819017\nLu P S\n4 4 16\ndirect\n0.322271 0.555127 0.835572 Lu\n0.822271 0.444873 0.664428 Lu\n0.677729 0.444873 0.164428 Lu\n0.177729 0.555127 0.335571 Lu\n0.229912 0.684251 0.039346 P\n0.729912 0.315749 0.460654 P\n0.770088 0.315749 0.960654 P\n0.270088 0.684251 0.539346 P\n0.228331 0.419886 0.587495 S\n0.728331 0.580114 0.912505 S\n0.771669 0.580114 0.412505 S\n0.271669 0.419886 0.087495 S\n0.254934 0.842389 0.354774 S\n0.754934 0.157611 0.145226 S\n0.745066 0.157611 0.645226 S\n0.245066 0.842389 0.854774 S\n0.538994 0.715223 0.615161 S\n0.038994 0.284777 0.884839 S\n0.461006 0.284777 0.384839 S\n0.961006 0.715223 0.115161 S\n0.050875 0.735339 0.636131 S\n0.550875 0.264661 0.863869 S\n0.949125 0.264661 0.363869 S\n0.449125 0.735339 0.136131 S\n",
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"formula_full": "Lu4 P4 S16",
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},
{
"id": "mp-759787",
"created_at": "2022-09-04T14:40:18.352253Z",
"structure_string": "Co14 Sb4 O24\n1.0\n3.075317 5.284510 0.000000\n-3.075317 5.284510 0.000000\n0.000000 0.077079 15.121234\nCo Sb O\n14 4 24\ndirect\n0.180856 0.496952 0.541714 Co\n0.665953 0.005680 0.661835 Co\n0.154580 0.505424 0.801194 Co\n0.814505 0.185495 0.500000 Co\n0.665536 0.495968 0.661764 Co\n0.494576 0.845420 0.198806 Co\n0.504032 0.334464 0.338236 Co\n0.994320 0.334047 0.338165 Co\n0.503048 0.819144 0.458286 Co\n0.334156 0.166169 0.999391 Co\n0.841569 0.163620 0.871679 Co\n0.833831 0.665844 0.000609 Co\n0.334544 0.665456 0.000000 Co\n0.836380 0.158431 0.128321 Co\n0.509101 0.828753 0.835362 Sb\n0.995748 0.838566 0.338293 Sb\n0.161434 0.004252 0.661707 Sb\n0.171247 0.490899 0.164638 Sb\n0.798628 0.684514 0.749591 O\n0.336804 0.137009 0.748323 O\n0.852244 0.156228 0.737338 O\n0.001048 0.855811 0.587224 O\n0.522529 0.322168 0.587330 O\n0.306481 0.663858 0.252007 O\n0.002397 0.318064 0.589333 O\n0.336142 0.693519 0.747993 O\n0.144189 0.998952 0.412776 O\n0.677832 0.477471 0.412670 O\n0.843772 0.147756 0.262662 O\n0.484727 0.842845 0.593391 O\n0.315486 0.201372 0.250409 O\n0.157155 0.515273 0.406609 O\n0.500587 0.834245 0.071439 O\n0.653849 0.989145 0.911845 O\n0.862991 0.663196 0.251677 O\n0.476159 0.346539 0.088100 O\n0.010855 0.346151 0.088155 O\n0.681936 0.997603 0.410667 O\n0.018012 0.798463 0.087942 O\n0.165755 0.499413 0.928561 O\n0.653461 0.523841 0.911900 O\n0.201537 0.981988 0.912058 O\n",
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{
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