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{
"id": "mp-31057",
"created_at": "2022-09-04T14:48:08.382020Z",
"structure_string": "Ho3 In1 N1\n1.0\n4.788849 0.000000 0.000000\n0.000000 4.788849 0.000000\n0.000000 0.000000 4.788849\nHo In N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
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{
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},
{
"id": "mp-1216905",
"created_at": "2022-09-04T14:48:08.384092Z",
"structure_string": "U2 Si3 Pd1\n1.0\n0.000000 0.000000 -3.798579\n-2.069451 -3.582097 0.000000\n-6.201539 3.578120 0.000000\nU Si Pd\n2 3 1\ndirect\n0.000000 0.999948 0.989307 U\n0.000000 0.499910 0.512351 U\n0.500000 0.499848 0.832835 Si\n0.500000 0.500128 0.158032 Si\n0.500000 0.000040 0.673075 Si\n0.500000 0.999925 0.334400 Pd\n",
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"spacegroup": 25
},
{
"id": "mp-1042238",
"created_at": "2022-09-04T14:48:08.398624Z",
"structure_string": "Mg2 Bi4 O8\n1.0\n1.699793 6.717632 0.000000\n-1.699793 6.717632 0.000000\n0.000000 4.026193 9.661399\nMg Bi O\n2 4 8\ndirect\n0.261927 0.261927 0.743980 Mg\n0.738073 0.738073 0.256020 Mg\n0.617613 0.617613 0.606572 Bi\n0.115676 0.115676 0.083588 Bi\n0.884324 0.884324 0.916412 Bi\n0.382387 0.382387 0.393428 Bi\n0.894537 0.894537 0.250212 O\n0.408276 0.408276 0.767351 O\n0.591724 0.591724 0.232649 O\n0.105463 0.105463 0.749788 O\n0.216656 0.216656 0.399777 O\n0.728519 0.728519 0.897221 O\n0.783344 0.783344 0.600223 O\n0.271481 0.271481 0.102779 O\n",
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],
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"density": 7.62032274352411,
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"formula_full": "Mg2 Bi4 O8",
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"spacegroup": 12
},
{
"id": "mp-1215020",
"created_at": "2022-09-04T14:48:08.411906Z",
"structure_string": "Al4 Zn78 Pd18\n1.0\n0.000000 9.101656 9.101656\n9.101656 0.000000 9.101656\n9.101656 9.101656 0.000000\nAl Zn Pd\n4 78 18\ndirect\n0.944822 0.944822 0.944822 Al\n0.944822 0.944822 0.165533 Al\n0.944822 0.165533 0.944822 Al\n0.165533 0.944822 0.944822 Al\n0.308199 0.308199 0.308199 Zn\n0.308199 0.308199 0.075404 Zn\n0.308199 0.075404 0.308199 Zn\n0.075404 0.308199 0.308199 Zn\n0.778028 0.778028 0.030526 Zn\n0.778028 0.778028 0.413419 Zn\n0.030526 0.413419 0.778028 Zn\n0.030526 0.778028 0.778028 Zn\n0.413419 0.030526 0.778028 Zn\n0.413419 0.778028 0.778028 Zn\n0.778028 0.030526 0.413419 Zn\n0.778028 0.413419 0.030526 Zn\n0.778028 0.030526 0.778028 Zn\n0.413419 0.778028 0.030526 Zn\n0.030526 0.778028 0.413419 Zn\n0.778028 0.413419 0.778028 Zn\n0.069403 0.430597 0.430597 Zn\n0.430597 0.069403 0.069403 Zn\n0.430597 0.069403 0.430597 Zn\n0.069403 0.430597 0.069403 Zn\n0.430597 0.430597 0.069403 Zn\n0.069403 0.069403 0.430597 Zn\n0.519861 0.519861 0.168774 Zn\n0.519861 0.519861 0.791504 Zn\n0.168774 0.791504 0.519861 Zn\n0.168774 0.519861 0.519861 Zn\n0.791504 0.168774 0.519861 Zn\n0.791504 0.519861 0.519861 Zn\n0.519861 0.168774 0.791504 Zn\n0.519861 0.791504 0.168774 Zn\n0.519861 0.168774 0.519861 Zn\n0.791504 0.519861 0.168774 Zn\n0.168774 0.519861 0.791504 Zn\n0.519861 0.791504 0.519861 Zn\n0.554116 0.554116 0.554116 Zn\n0.554116 0.554116 0.337652 Zn\n0.554116 0.337652 0.554116 Zn\n0.337652 0.554116 0.554116 Zn\n0.024266 0.024266 0.687916 Zn\n0.024266 0.024266 0.263551 Zn\n0.687916 0.263551 0.024266 Zn\n0.687916 0.024266 0.024266 Zn\n0.263551 0.687916 0.024266 Zn\n0.263551 0.024266 0.024266 Zn\n0.024266 0.687916 0.263551 Zn\n0.024266 0.263551 0.687916 Zn\n0.024266 0.687916 0.024266 Zn\n0.263551 0.024266 0.687916 Zn\n0.687916 0.024266 0.263551 Zn\n0.024266 0.263551 0.024266 Zn\n0.678229 0.321771 0.321771 Zn\n0.321771 0.678229 0.678229 Zn\n0.321771 0.678229 0.321771 Zn\n0.678229 0.321771 0.678229 Zn\n0.321771 0.321771 0.678229 Zn\n0.678229 0.678229 0.321771 Zn\n0.264392 0.264392 0.553052 Zn\n0.264392 0.264392 0.918164 Zn\n0.553052 0.918164 0.264392 Zn\n0.553052 0.264392 0.264392 Zn\n0.918164 0.553052 0.264392 Zn\n0.918164 0.264392 0.264392 Zn\n0.264392 0.553052 0.918164 Zn\n0.264392 0.918164 0.553052 Zn\n0.264392 0.553052 0.264392 Zn\n0.918164 0.264392 0.553052 Zn\n0.553052 0.264392 0.918164 Zn\n0.264392 0.918164 0.264392 Zn\n0.803302 0.803302 0.803302 Zn\n0.803302 0.803302 0.590093 Zn\n0.803302 0.590093 0.803302 Zn\n0.590093 0.803302 0.803302 Zn\n0.929245 0.570755 0.570755 Zn\n0.570755 0.929245 0.929245 Zn\n0.570755 0.929245 0.570755 Zn\n0.929245 0.570755 0.929245 Zn\n0.570755 0.570755 0.929245 Zn\n0.929245 0.929245 0.570755 Zn\n0.411239 0.411239 0.411239 Pd\n0.411239 0.411239 0.766284 Pd\n0.411239 0.766284 0.411239 Pd\n0.766284 0.411239 0.411239 Pd\n0.166435 0.166435 0.166435 Pd\n0.166435 0.166435 0.500696 Pd\n0.166435 0.500696 0.166435 Pd\n0.500696 0.166435 0.166435 Pd\n0.176272 0.823728 0.823728 Pd\n0.823728 0.176272 0.176272 Pd\n0.823728 0.176272 0.823728 Pd\n0.176272 0.823728 0.176272 Pd\n0.823728 0.823728 0.176272 Pd\n0.176272 0.176272 0.823728 Pd\n0.662506 0.662506 0.662506 Pd\n0.662506 0.662506 0.012482 Pd\n0.662506 0.012482 0.662506 Pd\n0.012482 0.662506 0.662506 Pd\n",
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"elements": [
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],
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"formula_full": "Al4 Zn78 Pd18",
"formula_reduced": "Al2(Zn13Pd3)3",
"formula_anonymous": "A2B9C39",
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"spacegroup": 216
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{
"id": "mp-18903",
"created_at": "2022-09-04T14:48:08.428631Z",
"structure_string": "Sr2 Cd1 W1 O6\n1.0\n0.000000 4.177474 4.177474\n4.177474 0.000000 4.177474\n4.177474 4.177474 0.000000\nSr Cd W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 W\n0.767642 0.232358 0.767642 O\n0.232358 0.232358 0.767642 O\n0.767642 0.767642 0.232358 O\n0.767642 0.232358 0.232358 O\n0.232358 0.767642 0.232358 O\n0.232358 0.767642 0.767642 O\n",
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"formula_full": "Sr2 Cd1 W1 O6",
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{
"id": "mp-977589",
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"structure_string": "Tm2 Tl1 Cd1\n1.0\n0.000000 3.727402 3.727402\n3.727402 0.000000 3.727402\n3.727402 3.727402 0.000000\nTm Tl Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n",
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{
"id": "mp-1226110",
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"structure_string": "Cr8 Co3 Ni1 S16\n1.0\n6.898935 0.000000 0.000000\n0.000000 6.898935 0.000000\n0.000000 0.000000 9.744333\nCr Co Ni S\n8 3 1 16\ndirect\n0.748905 0.000000 0.624558 Cr\n0.251302 0.500000 0.125442 Cr\n0.251095 0.000000 0.624558 Cr\n0.748698 0.500000 0.125442 Cr\n0.000000 0.251095 0.375442 Cr\n0.500000 0.748698 0.874558 Cr\n0.500000 0.251302 0.874558 Cr\n0.000000 0.748905 0.375442 Cr\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.249654 Co\n0.000000 0.500000 0.750346 Co\n0.500000 0.500000 0.500000 Ni\n0.760981 0.500000 0.369475 S\n0.260397 0.000000 0.869974 S\n0.239019 0.500000 0.369475 S\n0.739603 0.000000 0.869974 S\n0.500000 0.239019 0.630525 S\n0.000000 0.739603 0.130026 S\n0.500000 0.760981 0.630525 S\n0.000000 0.260397 0.130026 S\n0.241641 0.000000 0.379461 S\n0.740964 0.500000 0.878833 S\n0.758359 0.000000 0.379461 S\n0.259036 0.500000 0.878833 S\n0.500000 0.259036 0.121167 S\n0.000000 0.758359 0.620539 S\n0.500000 0.740964 0.121167 S\n0.000000 0.241641 0.620539 S\n",
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{
"id": "mp-1213966",
"created_at": "2022-09-04T14:48:08.445644Z",
"structure_string": "Cs6 Li4 Al2 Mo8 O32\n1.0\n-6.307362 6.307362 6.153223\n6.307362 -6.307362 6.153223\n6.307362 6.307362 -6.153223\nCs Li Al Mo O\n6 4 2 8 32\ndirect\n0.763000 0.375000 0.888000 Cs\n0.487000 0.875000 0.112000 Cs\n0.125000 0.237000 0.612000 Cs\n0.625000 0.513000 0.388000 Cs\n0.000000 0.000000 0.000000 Cs\n0.250000 0.750000 0.500000 Cs\n0.249424 0.375000 0.374424 Li\n0.000576 0.875000 0.625576 Li\n0.125000 0.750576 0.125576 Li\n0.625000 0.999424 0.874424 Li\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Al\n0.381410 0.126348 0.443895 Mo\n0.682453 0.937516 0.556105 Mo\n0.062484 0.618590 0.744938 Mo\n0.868590 0.812484 0.244938 Mo\n0.873652 0.317547 0.255062 Mo\n0.567547 0.623652 0.755062 Mo\n0.187516 0.432453 0.056105 Mo\n0.376348 0.131410 0.943895 Mo\n0.245946 0.378960 0.193644 O\n0.185316 0.052302 0.806356 O\n0.947698 0.754054 0.133014 O\n0.004054 0.697698 0.633014 O\n0.621040 0.814684 0.866986 O\n0.064684 0.371040 0.366986 O\n0.302302 0.935316 0.306356 O\n0.628960 0.995946 0.693644 O\n0.269713 0.203030 0.380328 O\n0.822702 0.889385 0.619672 O\n0.110615 0.730287 0.933317 O\n0.980287 0.860615 0.433317 O\n0.796971 0.177298 0.066683 O\n0.427298 0.546971 0.566683 O\n0.139385 0.572702 0.119672 O\n0.453030 0.019713 0.880328 O\n0.521444 0.772196 0.395090 O\n0.377106 0.126355 0.604910 O\n0.873645 0.478556 0.250751 O\n0.728556 0.623645 0.750751 O\n0.227804 0.622894 0.749249 O\n0.872894 0.977804 0.249249 O\n0.376355 0.127106 0.104910 O\n0.022196 0.271444 0.895090 O\n0.585390 0.246383 0.498083 O\n0.748300 0.087307 0.501917 O\n0.912693 0.414610 0.660993 O\n0.664610 0.662693 0.160993 O\n0.753617 0.251700 0.339007 O\n0.501700 0.503617 0.839007 O\n0.337307 0.498300 0.001917 O\n0.496383 0.335390 0.998083 O\n",
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],
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"formula_full": "Cs6 Li4 Al2 Mo8 O32",
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{
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"elements": [
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],
"chemical_system": "Co-Cu-Zn",
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"formula_full": "Zn2 Co1 Cu1",
"formula_reduced": "Zn2CoCu",
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},
{
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"structure_string": "Ag1 I1\n1.0\n0.000000 3.084500 3.084500\n3.084500 0.000000 3.084500\n3.084500 3.084500 0.000000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n",
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"elements": [
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"chemical_system": "Ag-I",
"density": 6.6422056414720885,
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"volume": 58.69273120224999,
"volume_molar": 17.67279444443967,
"formula_full": "Ag1 I1",
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"updated_at": "2021-11-28T01:38:27.276000Z",
"spacegroup": 225
},
{
"id": "mp-1222435",
"created_at": "2022-09-04T14:48:08.453160Z",
"structure_string": "Li1 V1 W1 O6\n1.0\n0.000000 -3.760749 0.000000\n-4.371003 -1.880375 1.769678\n-0.010686 0.000000 -6.662312\nLi V W O\n1 1 1 6\ndirect\n0.000421 0.999159 0.005693 Li\n0.182445 0.635109 0.350566 V\n0.821213 0.357574 0.635298 W\n0.013851 0.972297 0.303621 O\n0.985728 0.028543 0.712958 O\n0.322238 0.355524 0.111774 O\n0.666770 0.666461 0.888969 O\n0.695176 0.609647 0.430517 O\n0.312158 0.375685 0.560603 O\n",
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],
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"volume": 109.58783669033747,
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"formula_full": "Li1 V1 W1 O6",
"formula_reduced": "LiVWO6",
"formula_anonymous": "ABCD6",
"energy": -73.92256643,
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"updated_at": "2021-11-28T01:38:28.133000Z",
"spacegroup": 8
}
]
}