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{
"id": "mp-766168",
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{
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"structure_string": "Rb2 Y1 Ag1 F6\n1.0\n0.000000 4.638064 4.638064\n4.638064 0.000000 4.638064\n4.638064 4.638064 0.000000\nRb Y Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.735208 0.264792 0.264792 F\n0.264792 0.264792 0.735208 F\n0.264792 0.735208 0.735208 F\n0.264792 0.735208 0.264792 F\n0.735208 0.264792 0.735208 F\n0.735208 0.735208 0.264792 F\n",
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"formula_full": "Rb2 Y1 Ag1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "mp-471",
"created_at": "2022-09-04T14:44:22.227976Z",
"structure_string": "Cd2 As4\n1.0\n-4.078293 4.078293 2.383873\n4.078293 -4.078293 2.383873\n4.078293 4.078293 -2.383873\nCd As\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n0.563058 0.375000 0.688058 As\n0.625000 0.436942 0.311942 As\n0.686942 0.875000 0.311942 As\n0.125000 0.313058 0.688058 As\n",
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"spacegroup": 98
},
{
"id": "mp-1224113",
"created_at": "2022-09-04T14:44:22.354262Z",
"structure_string": "Ho1 Al3 Cu1\n1.0\n0.000000 -4.127344 0.000000\n-4.133950 0.000000 0.000000\n-2.066975 -2.063672 -5.341464\nHo Al Cu\n1 3 1\ndirect\n0.995117 0.995117 0.009766 Ho\n0.401205 0.401205 0.197590 Al\n0.741698 0.241698 0.516604 Al\n0.241793 0.741793 0.516414 Al\n0.620187 0.620187 0.759626 Cu\n",
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"updated_at": "2021-11-28T01:36:35.870000Z",
"spacegroup": 107
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{
"id": "mp-998787",
"created_at": "2022-09-04T14:44:22.239159Z",
"structure_string": "Ca2 Tl2 Cl6\n1.0\n2.063488 -6.937995 0.000000\n2.063488 6.937995 0.000000\n0.000000 0.000000 10.348365\nCa Tl Cl\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.741202 0.258798 0.750000 Tl\n0.258798 0.741202 0.250000 Tl\n0.628704 0.371296 0.449759 Cl\n0.371296 0.628704 0.949759 Cl\n0.628704 0.371296 0.050241 Cl\n0.371296 0.628704 0.550241 Cl\n0.068898 0.931102 0.750000 Cl\n0.931102 0.068898 0.250000 Cl\n",
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"volume": 296.3041022747671,
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"formula_full": "Ca2 Tl2 Cl6",
"formula_reduced": "CaTlCl3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:36:29.228000Z",
"spacegroup": 63
},
{
"id": "mp-1180141",
"created_at": "2022-09-04T14:44:22.257592Z",
"structure_string": "Nd3 In3 Pd3\n1.0\n8.145663 0.051307 -0.085424\n-4.029008 6.981545 0.086161\n-0.039186 0.030392 3.841469\nNd In Pd\n3 3 3\ndirect\n0.000723 0.719384 0.504111 Nd\n0.280715 0.281080 0.500571 Nd\n0.718850 0.999344 0.498646 Nd\n0.619706 0.616977 0.999958 In\n0.998583 0.380610 0.999612 In\n0.381046 0.998584 0.001866 In\n0.999925 0.000192 0.001254 Pd\n0.666252 0.335058 0.487999 Pd\n0.334201 0.668771 0.505980 Pd\n",
"nsites": 9,
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],
"chemical_system": "In-Nd-Pd",
"density": 8.305218360954568,
"density_atomic": 0.04105438932047367,
"volume": 219.22138287687872,
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"formula_full": "Nd3 In3 Pd3",
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"spacegroup": 5
},
{
"id": "mp-568264",
"created_at": "2022-09-04T14:44:22.259973Z",
"structure_string": "Si2 Se4\n1.0\n-2.965983 3.298968 5.464126\n2.965983 -3.298968 5.464126\n2.965983 3.298968 -5.464126\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.303961 0.111806 0.192155 Se\n0.696039 0.888194 0.807845 Se\n0.080349 0.388194 0.692155 Se\n0.919651 0.611806 0.307845 Se\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Se-Si",
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"volume": 213.85896324940447,
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"formula_full": "Si2 Se4",
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"spacegroup": 72
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{
"id": "mp-1021403",
"created_at": "2022-09-04T14:44:22.269849Z",
"structure_string": "Li2 Mg12 Sn2\n1.0\n5.113851 0.000000 0.000000\n0.000000 6.377667 0.000000\n0.000000 0.000000 11.010383\nLi Mg Sn\n2 12 2\ndirect\n0.500000 0.500000 0.166663 Li\n0.500000 0.000000 0.666663 Li\n0.000000 0.250800 0.084143 Mg\n0.000000 0.749200 0.084143 Mg\n0.000000 0.500000 0.832774 Mg\n0.500000 0.251289 0.917392 Mg\n0.500000 0.748711 0.917392 Mg\n0.500000 0.500000 0.666033 Mg\n0.000000 0.750800 0.584143 Mg\n0.000000 0.249200 0.584143 Mg\n0.000000 0.000000 0.332774 Mg\n0.500000 0.751289 0.417392 Mg\n0.500000 0.248711 0.417392 Mg\n0.500000 0.000000 0.166033 Mg\n0.000000 0.500000 0.331459 Sn\n0.000000 0.000000 0.831459 Sn\n",
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"elements": [
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],
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"density": 2.5107657606587077,
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"volume": 359.0974621394904,
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"formula_full": "Li2 Mg12 Sn2",
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{
"id": "mp-29605",
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"structure_string": "Sr4 Pr8 O16\n1.0\n3.617360 0.000000 0.000000\n0.000000 10.423667 0.000000\n0.000000 0.000000 12.469500\nSr Pr O\n4 8 16\ndirect\n0.250000 0.251820 0.145711 Sr\n0.750000 0.748180 0.854289 Sr\n0.750000 0.248180 0.645711 Sr\n0.250000 0.751820 0.354289 Sr\n0.250000 0.428735 0.884265 Pr\n0.750000 0.571265 0.115735 Pr\n0.750000 0.071265 0.384265 Pr\n0.250000 0.928735 0.615735 Pr\n0.250000 0.911616 0.110369 Pr\n0.750000 0.088384 0.889631 Pr\n0.750000 0.588384 0.610369 Pr\n0.250000 0.411616 0.389631 Pr\n0.250000 0.429446 0.582661 O\n0.750000 0.570554 0.417339 O\n0.750000 0.070554 0.082661 O\n0.250000 0.929446 0.917339 O\n0.250000 0.496171 0.212673 O\n0.750000 0.503829 0.787327 O\n0.750000 0.003829 0.712673 O\n0.250000 0.996171 0.287327 O\n0.250000 0.136864 0.516218 O\n0.750000 0.863136 0.483782 O\n0.750000 0.363136 0.016218 O\n0.250000 0.636864 0.983782 O\n0.250000 0.718320 0.686771 O\n0.750000 0.281680 0.313229 O\n0.750000 0.781680 0.186771 O\n0.250000 0.218320 0.813229 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "Sr4 Pr8 O16",
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{
"id": "mp-14866",
"created_at": "2022-09-04T14:44:22.351539Z",
"structure_string": "Cs10 Al10 F40\n1.0\n-6.002344 6.002344 6.792305\n6.002344 -6.002344 6.792305\n6.002344 6.002344 -6.792305\nCs Al F\n10 10 40\ndirect\n0.024032 0.843385 0.500000 Cs\n0.343385 0.524032 0.500000 Cs\n0.156615 0.656615 0.180647 Cs\n0.475968 0.975968 0.819353 Cs\n0.843385 0.343385 0.819353 Cs\n0.656615 0.475968 0.500000 Cs\n0.975968 0.156615 0.500000 Cs\n0.524032 0.024032 0.180647 Cs\n0.750000 0.750000 0.000000 Cs\n0.250000 0.250000 0.000000 Cs\n0.575506 0.708029 0.283535 Al\n0.424494 0.291971 0.716465 Al\n0.291971 0.575506 0.867477 Al\n0.708029 0.424494 0.132523 Al\n0.924494 0.208029 0.132523 Al\n0.791971 0.924494 0.716465 Al\n0.208029 0.075506 0.283535 Al\n0.075506 0.791971 0.867477 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.130585 0.630585 0.500000 F\n0.369415 0.869415 0.500000 F\n0.869415 0.369415 0.500000 F\n0.630585 0.130585 0.500000 F\n0.784160 0.284160 0.068320 F\n0.715840 0.784160 0.500000 F\n0.284160 0.215840 0.500000 F\n0.215840 0.715840 0.931680 F\n0.160221 0.446547 0.868286 F\n0.578261 0.291935 0.131714 F\n0.553453 0.421739 0.713674 F\n0.708065 0.839779 0.286326 F\n0.078261 0.946547 0.286326 F\n0.053453 0.339779 0.131714 F\n0.921739 0.053453 0.713674 F\n0.208065 0.921739 0.868286 F\n0.839779 0.553453 0.131714 F\n0.421739 0.708065 0.868286 F\n0.446547 0.578261 0.286326 F\n0.291935 0.160221 0.713674 F\n0.000486 0.345227 0.345713 F\n0.654773 0.000486 0.655259 F\n0.345227 0.999514 0.344741 F\n0.999514 0.654773 0.654287 F\n0.154773 0.499514 0.654287 F\n0.845227 0.500486 0.345713 F\n0.499514 0.845227 0.344741 F\n0.500486 0.154773 0.655259 F\n0.068171 0.142957 0.211129 F\n0.857043 0.068171 0.925214 F\n0.142957 0.931829 0.074786 F\n0.931829 0.857043 0.788871 F\n0.357043 0.431829 0.788871 F\n0.642957 0.568171 0.211129 F\n0.431829 0.642957 0.074786 F\n0.568171 0.357043 0.925214 F\n0.339779 0.208065 0.286326 F\n0.791935 0.078261 0.131714 F\n0.946547 0.660221 0.868286 F\n0.660221 0.791935 0.713674 F\n",
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{
"id": "mp-5468",
"created_at": "2022-09-04T14:44:22.408335Z",
"structure_string": "Na3 Al1 F6\n1.0\n-2.772160 2.911064 4.027946\n2.772160 -2.911064 4.027946\n2.772160 2.911064 -4.027946\nNa Al F\n3 1 6\ndirect\n0.781404 0.281404 0.500000 Na\n0.218596 0.718596 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Al\n0.782070 0.235710 0.017781 F\n0.782070 0.764290 0.546360 F\n0.217930 0.235710 0.453640 F\n0.217930 0.764290 0.982219 F\n0.773778 0.773778 0.000000 F\n0.226222 0.226222 0.000000 F\n",
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},
{
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}