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"results": [
{
"id": "mp-36641",
"created_at": "2022-09-04T14:43:23.052662Z",
"structure_string": "Cd1 Ga6 Te10\n1.0\n3.085222 6.873463 0.000000\n-3.085222 6.873463 0.000000\n0.000000 0.270702 13.380085\nCd Ga Te\n1 6 10\ndirect\n0.899735 0.100265 0.500000 Cd\n0.003276 0.192385 0.801488 Ga\n0.713939 0.893671 0.898776 Ga\n0.807615 0.996724 0.198512 Ga\n0.106329 0.286061 0.101224 Ga\n0.201249 0.395634 0.399727 Ga\n0.604366 0.798751 0.600273 Ga\n0.782689 0.507108 0.954250 Te\n0.105090 0.793382 0.843928 Te\n0.206618 0.894910 0.156072 Te\n0.492892 0.217311 0.045750 Te\n0.574635 0.338175 0.336758 Te\n0.876680 0.605589 0.251199 Te\n0.031299 0.662230 0.564882 Te\n0.337770 0.968701 0.435118 Te\n0.394411 0.123320 0.748801 Te\n0.661825 0.425365 0.663242 Te\n",
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"volume": 567.4804269459881,
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"formula_full": "Cd1 Ga6 Te10",
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{
"id": "mp-1221553",
"created_at": "2022-09-04T14:43:23.053970Z",
"structure_string": "Na6 Mo30 Se38\n1.0\n19.821908 0.000000 0.000000\n0.000000 9.814101 0.000000\n0.000000 4.842379 8.587740\nNa Mo Se\n6 30 38\ndirect\n0.620771 0.664409 0.665606 Na\n0.120771 0.335591 0.334394 Na\n0.379229 0.335591 0.334394 Na\n0.879229 0.664409 0.665606 Na\n0.750000 0.955177 0.827504 Na\n0.250000 0.044823 0.172496 Na\n0.750000 0.487283 0.343631 Mo\n0.750000 0.342879 0.168647 Mo\n0.750000 0.172373 0.479517 Mo\n0.250000 0.512717 0.656369 Mo\n0.250000 0.657121 0.831353 Mo\n0.250000 0.827627 0.520483 Mo\n0.634396 0.496558 0.189314 Mo\n0.634244 0.189194 0.311620 Mo\n0.635161 0.317507 0.493570 Mo\n0.134396 0.503442 0.810686 Mo\n0.134244 0.810806 0.688380 Mo\n0.135161 0.682493 0.506430 Mo\n0.365604 0.503442 0.810686 Mo\n0.365756 0.810806 0.688380 Mo\n0.364839 0.682493 0.506430 Mo\n0.865604 0.496558 0.189314 Mo\n0.865756 0.189194 0.311620 Mo\n0.864839 0.317507 0.493570 Mo\n0.557092 0.832123 0.152096 Mo\n0.556404 0.151541 0.017421 Mo\n0.557296 0.013443 0.840865 Mo\n0.057092 0.167877 0.847904 Mo\n0.056404 0.848459 0.982579 Mo\n0.057296 0.986557 0.159135 Mo\n0.442908 0.167877 0.847904 Mo\n0.443596 0.848459 0.982579 Mo\n0.442704 0.986557 0.159135 Mo\n0.942908 0.832123 0.152096 Mo\n0.943596 0.151541 0.017421 Mo\n0.942704 0.013443 0.840865 Mo\n0.750000 0.642445 0.043535 Se\n0.750000 0.040400 0.307835 Se\n0.750000 0.314990 0.644481 Se\n0.250000 0.357555 0.956465 Se\n0.250000 0.959600 0.692165 Se\n0.250000 0.685010 0.355519 Se\n0.551874 0.709272 0.969682 Se\n0.549298 0.968167 0.319156 Se\n0.551065 0.319850 0.713832 Se\n0.051874 0.290728 0.030318 Se\n0.049298 0.031833 0.680844 Se\n0.051065 0.680150 0.286168 Se\n0.448126 0.290728 0.030318 Se\n0.450702 0.031833 0.680844 Se\n0.448935 0.680150 0.286168 Se\n0.948126 0.709272 0.969682 Se\n0.950702 0.968167 0.319156 Se\n0.948935 0.319850 0.713832 Se\n0.658376 0.000771 0.015210 Se\n0.158376 0.999229 0.984790 Se\n0.341624 0.999229 0.984790 Se\n0.841624 0.000771 0.015210 Se\n0.643343 0.625215 0.369068 Se\n0.642555 0.369905 0.007328 Se\n0.640553 0.006928 0.616181 Se\n0.143343 0.374785 0.630932 Se\n0.142555 0.630095 0.992672 Se\n0.140553 0.993072 0.383819 Se\n0.356657 0.374785 0.630932 Se\n0.357445 0.630095 0.992672 Se\n0.359447 0.993072 0.383819 Se\n0.856657 0.625215 0.369068 Se\n0.857445 0.369905 0.007328 Se\n0.859447 0.006928 0.616181 Se\n0.031818 0.667366 0.666422 Se\n0.531818 0.332634 0.333578 Se\n0.968182 0.332634 0.333578 Se\n0.468182 0.667366 0.666422 Se\n",
"nsites": 74,
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"elements": [
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"Mo",
"Se"
],
"chemical_system": "Mo-Na-Se",
"density": 5.980351544006414,
"density_atomic": 0.04429521898903414,
"volume": 1670.6091918931402,
"volume_molar": 13.595464470986947,
"formula_full": "Na6 Mo30 Se38",
"formula_reduced": "Na3Mo15Se19",
"formula_anonymous": "A3B15C19",
"energy": -527.89700172,
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"updated_at": "2021-11-28T01:36:13.278000Z",
"spacegroup": 11
},
{
"id": "mp-767765",
"created_at": "2022-09-04T14:43:23.059832Z",
"structure_string": "Li34 Sb8 S7\n1.0\n-4.842481 4.842481 9.604818\n4.842481 -4.842481 9.604818\n4.842481 4.842481 -9.604818\nLi Sb S\n34 8 7\ndirect\n0.730528 0.009864 0.883850 Li\n0.009864 0.126013 0.279335 Li\n0.359550 0.222457 0.582007 Li\n0.448657 0.150809 0.849865 Li\n0.154163 0.044725 0.715915 Li\n0.777543 0.359550 0.137093 Li\n0.438248 0.154163 0.109437 Li\n0.150809 0.300944 0.702152 Li\n0.569571 0.069571 0.500000 Li\n0.930429 0.430429 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.598792 0.448657 0.297848 Li\n0.873987 0.153322 0.883850 Li\n0.044725 0.328810 0.890563 Li\n0.222457 0.640450 0.862907 Li\n0.328810 0.438248 0.284085 Li\n0.153322 0.269472 0.279335 Li\n0.300944 0.598792 0.150135 Li\n0.640450 0.777543 0.417993 Li\n0.699056 0.401208 0.849865 Li\n0.846678 0.730528 0.720665 Li\n0.671190 0.561752 0.715915 Li\n0.955275 0.671190 0.109437 Li\n0.126013 0.846678 0.116150 Li\n0.401208 0.551343 0.702152 Li\n0.430429 0.930429 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.069571 0.569571 0.500000 Li\n0.849191 0.699056 0.297848 Li\n0.561752 0.845837 0.890563 Li\n0.845837 0.955275 0.284085 Li\n0.551343 0.849191 0.150135 Li\n0.990136 0.873987 0.720665 Li\n0.269472 0.990136 0.116150 Li\n0.718293 0.155515 0.186795 Sb\n0.844485 0.031280 0.562778 Sb\n0.468502 0.281707 0.437222 Sb\n0.968720 0.531498 0.813205 Sb\n0.031280 0.468502 0.186795 Sb\n0.531498 0.718293 0.562778 Sb\n0.155515 0.968720 0.437222 Sb\n0.281707 0.844485 0.813205 Sb\n0.000000 0.000000 0.000000 S\n0.607162 0.184053 0.791215 S\n0.184053 0.392838 0.576891 S\n0.317107 0.317107 0.000000 S\n0.815947 0.607162 0.423109 S\n0.392838 0.815947 0.208785 S\n0.682893 0.682893 0.000000 S\n",
"nsites": 49,
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"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.6440730383514524,
"density_atomic": 0.05438900301678268,
"volume": 900.9174149575824,
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"formula_full": "Li34 Sb8 S7",
"formula_reduced": "Li34Sb8S7",
"formula_anonymous": "A7B8C34",
"energy": -173.59660424999998,
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"updated_at": "2021-11-28T01:36:15.187000Z",
"spacegroup": 87
},
{
"id": "mp-1036690",
"created_at": "2022-09-04T14:43:23.067378Z",
"structure_string": "Y1 Mg14 Al1 O16\n1.0\n4.395558 0.000000 0.000000\n0.000000 8.648150 0.000000\n0.000000 0.000000 8.698071\nY Mg Al O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.758466 0.000000 Mg\n0.500000 0.241534 0.000000 Mg\n0.500000 0.751388 0.500000 Mg\n0.500000 0.248612 0.500000 Mg\n0.500000 0.000000 0.746639 Mg\n0.500000 0.500000 0.738845 Mg\n0.500000 0.000000 0.253361 Mg\n0.500000 0.500000 0.261155 Mg\n0.000000 0.755542 0.742180 Mg\n0.000000 0.244458 0.742180 Mg\n0.000000 0.755542 0.257820 Mg\n0.000000 0.244458 0.257820 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.756162 O\n0.000000 0.500000 0.739885 O\n0.000000 0.000000 0.243838 O\n0.000000 0.500000 0.260115 O\n0.500000 0.749497 0.748760 O\n0.500000 0.250503 0.748760 O\n0.500000 0.749497 0.251240 O\n0.500000 0.250503 0.251240 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.776277 0.000000 O\n0.000000 0.223723 0.000000 O\n0.000000 0.752326 0.500000 O\n0.000000 0.247674 0.500000 O\n",
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"Al",
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"volume": 330.64364284874375,
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"formula_full": "Y1 Mg14 Al1 O16",
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"energy": -204.28343746,
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{
"id": "mp-1217193",
"created_at": "2022-09-04T14:43:23.069663Z",
"structure_string": "Ti3 Fe5 P4\n1.0\n3.579084 0.000000 0.000000\n0.000000 5.934558 0.000000\n0.000000 0.092753 6.710602\nTi Fe P\n3 5 4\ndirect\n0.000000 0.979100 0.316948 Ti\n0.500000 0.523695 0.828092 Ti\n0.500000 0.028401 0.677500 Ti\n0.000000 0.354907 0.558024 Fe\n0.000000 0.850430 0.941661 Fe\n0.500000 0.642996 0.438597 Fe\n0.500000 0.145736 0.062058 Fe\n0.000000 0.468004 0.174372 Fe\n0.000000 0.728495 0.622308 P\n0.000000 0.228702 0.887860 P\n0.500000 0.284062 0.366052 P\n0.500000 0.765472 0.126528 P\n",
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{
"id": "mp-1214327",
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"structure_string": "Ce4 Ga18 Ru6\n1.0\n3.821333 -6.565992 0.000000\n3.821333 6.565992 0.000000\n0.000000 0.000000 9.691860\nCe Ga Ru\n4 18 6\ndirect\n0.997358 0.668614 0.250000 Ce\n0.002642 0.331386 0.750000 Ce\n0.668614 0.997358 0.250000 Ce\n0.331386 0.002642 0.750000 Ce\n0.125729 0.125729 0.250000 Ga\n0.874271 0.874271 0.750000 Ga\n0.004855 0.334865 0.074219 Ga\n0.995145 0.665135 0.925781 Ga\n0.995145 0.665135 0.574219 Ga\n0.334865 0.004855 0.425781 Ga\n0.004855 0.334865 0.425781 Ga\n0.665135 0.995145 0.574219 Ga\n0.665135 0.995145 0.925781 Ga\n0.334865 0.004855 0.074219 Ga\n0.336841 0.336841 0.557055 Ga\n0.663159 0.663159 0.442945 Ga\n0.663159 0.663159 0.057055 Ga\n0.336841 0.336841 0.942945 Ga\n0.335573 0.546743 0.250000 Ga\n0.664427 0.453257 0.750000 Ga\n0.546743 0.335573 0.250000 Ga\n0.453257 0.664427 0.750000 Ga\n0.672338 0.327662 0.000000 Ru\n0.327662 0.672338 0.000000 Ru\n0.327662 0.672338 0.500000 Ru\n0.672338 0.327662 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
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{
"id": "mp-1206705",
"created_at": "2022-09-04T14:43:23.695493Z",
"structure_string": "Sm2 I2 O1\n1.0\n3.916061 0.000000 0.000000\n0.000000 3.916061 0.000000\n0.000000 0.000000 14.452543\nSm I O\n2 2 1\ndirect\n0.500000 0.500000 0.145017 Sm\n0.500000 0.500000 0.854983 Sm\n0.500000 0.500000 0.646025 I\n0.500000 0.500000 0.353975 I\n0.500000 0.500000 0.000000 O\n",
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{
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