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{
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"results": [
{
"id": "mp-1228810",
"created_at": "2022-09-04T14:41:15.700700Z",
"structure_string": "As4 Ir4 Se4\n1.0\n6.020357 0.000000 0.000000\n0.000000 6.020357 0.000000\n0.000000 0.000000 6.020357\nAs Ir Se\n4 4 4\ndirect\n0.120314 0.879686 0.379686 As\n0.879686 0.379686 0.120314 As\n0.379686 0.120314 0.879686 As\n0.620314 0.620314 0.620314 As\n0.504447 0.495553 0.995553 Ir\n0.495553 0.995553 0.504447 Ir\n0.995553 0.504447 0.495553 Ir\n0.004447 0.004447 0.004447 Ir\n0.882504 0.117496 0.617496 Se\n0.117496 0.617496 0.882504 Se\n0.617496 0.882504 0.117496 Se\n0.382504 0.382504 0.382504 Se\n",
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"formula_full": "As4 Ir4 Se4",
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"spacegroup": 198
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{
"id": "mp-1212202",
"created_at": "2022-09-04T14:41:15.716132Z",
"structure_string": "Mn8 Cr12 N8 O48\n1.0\n10.400628 0.000000 0.000000\n0.000000 10.400628 0.000000\n0.000000 0.000000 10.400628\nMn Cr N O\n8 12 8 48\ndirect\n0.336715 0.336715 0.336715 Mn\n0.163285 0.663285 0.836715 Mn\n0.663285 0.836715 0.163285 Mn\n0.836715 0.163285 0.663285 Mn\n0.602345 0.602345 0.602345 Mn\n0.897655 0.397655 0.102345 Mn\n0.397655 0.102345 0.897655 Mn\n0.102345 0.897655 0.397655 Mn\n0.018863 0.210479 0.375062 Cr\n0.481137 0.789521 0.875062 Cr\n0.981137 0.710479 0.124938 Cr\n0.375062 0.018863 0.210479 Cr\n0.518863 0.289521 0.624938 Cr\n0.875062 0.481137 0.789521 Cr\n0.124938 0.981137 0.710479 Cr\n0.624938 0.518863 0.289521 Cr\n0.210479 0.375062 0.018863 Cr\n0.710479 0.124938 0.981137 Cr\n0.289521 0.624938 0.518863 Cr\n0.789521 0.875062 0.481137 Cr\n0.047146 0.047146 0.047146 N\n0.452854 0.952854 0.547146 N\n0.952854 0.547146 0.452854 N\n0.547146 0.452854 0.952854 N\n0.818307 0.818307 0.818307 N\n0.681693 0.181693 0.318307 N\n0.181693 0.318307 0.681693 N\n0.318307 0.681693 0.181693 N\n0.014006 0.052987 0.331687 O\n0.485994 0.947013 0.831687 O\n0.985994 0.552987 0.168313 O\n0.331687 0.014006 0.052987 O\n0.514006 0.447013 0.668313 O\n0.831687 0.485994 0.947013 O\n0.168313 0.985994 0.552987 O\n0.668313 0.514006 0.447013 O\n0.052987 0.331687 0.014006 O\n0.552987 0.168313 0.985994 O\n0.447013 0.668313 0.514006 O\n0.947013 0.831687 0.485994 O\n0.269843 0.488935 0.437191 O\n0.230157 0.511065 0.937191 O\n0.730157 0.988935 0.062809 O\n0.437191 0.269843 0.488935 O\n0.769843 0.011065 0.562809 O\n0.937191 0.230157 0.511065 O\n0.062809 0.730157 0.988935 O\n0.562809 0.769843 0.011065 O\n0.488935 0.437191 0.269843 O\n0.988935 0.062809 0.730157 O\n0.011065 0.562809 0.769843 O\n0.511065 0.937191 0.230157 O\n0.047275 0.801757 0.238805 O\n0.452725 0.198243 0.738805 O\n0.952725 0.301757 0.261195 O\n0.238805 0.047275 0.801757 O\n0.547275 0.698243 0.761195 O\n0.738805 0.452725 0.198243 O\n0.261195 0.952725 0.301757 O\n0.761195 0.547275 0.698243 O\n0.801757 0.238805 0.047275 O\n0.301757 0.261195 0.952725 O\n0.698243 0.761195 0.547275 O\n0.198243 0.738805 0.452725 O\n0.171548 0.250517 0.398236 O\n0.328452 0.749483 0.898236 O\n0.828452 0.750517 0.101764 O\n0.398236 0.171548 0.250517 O\n0.671548 0.249483 0.601764 O\n0.898236 0.328452 0.749483 O\n0.101764 0.828452 0.750517 O\n0.601764 0.671548 0.249483 O\n0.250517 0.398236 0.171548 O\n0.750517 0.101764 0.828452 O\n0.249483 0.601764 0.671548 O\n0.749483 0.898236 0.328452 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-Mn-N-O",
"density": 2.8684746154125014,
"density_atomic": 0.0675514853086583,
"volume": 1125.0677857450282,
"volume_molar": 8.914890224076423,
"formula_full": "Mn8 Cr12 N8 O48",
"formula_reduced": "Mn2Cr3(NO6)2",
"formula_anonymous": "A2B2C3D12",
"energy": -565.6191725,
"energy_per_atom": -7.442357532894737,
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"updated_at": "2021-11-28T01:35:15.234000Z",
"spacegroup": 198
},
{
"id": "mp-1226030",
"created_at": "2022-09-04T14:41:17.242233Z",
"structure_string": "Co4 Se4 S4\n1.0\n5.668230 0.000000 0.000000\n0.000000 5.668230 0.000000\n0.000000 0.000000 5.668230\nCo Se S\n4 4 4\ndirect\n0.509019 0.490981 0.990981 Co\n0.490981 0.990981 0.509019 Co\n0.990981 0.509019 0.490981 Co\n0.009019 0.009019 0.009019 Co\n0.876593 0.123407 0.623407 Se\n0.123407 0.623407 0.876593 Se\n0.623407 0.876593 0.123407 Se\n0.376593 0.376593 0.376593 Se\n0.120250 0.879750 0.379750 S\n0.879750 0.379750 0.120250 S\n0.379750 0.120250 0.879750 S\n0.620250 0.620250 0.620250 S\n",
"nsites": 12,
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"elements": [
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"S"
],
"chemical_system": "Co-S-Se",
"density": 6.19881686524356,
"density_atomic": 0.06589293512006146,
"volume": 182.11360562608382,
"volume_molar": 9.139281394928373,
"formula_full": "Co4 Se4 S4",
"formula_reduced": "CoSeS",
"formula_anonymous": "ABC",
"energy": -66.48604894,
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"updated_at": "2021-11-28T01:35:14.455000Z",
"spacegroup": 198
},
{
"id": "mp-669307",
"created_at": "2022-09-04T14:41:17.805335Z",
"structure_string": "Fe4 Sb4 Pt4\n1.0\n6.139285 0.000000 0.000000\n0.000000 6.139285 0.000000\n0.000000 0.000000 6.139285\nFe Sb Pt\n4 4 4\ndirect\n0.621568 0.378432 0.878432 Fe\n0.378432 0.878432 0.621568 Fe\n0.121568 0.121568 0.121568 Fe\n0.878432 0.621568 0.378432 Fe\n0.113203 0.386797 0.613203 Sb\n0.613203 0.113203 0.386797 Sb\n0.386797 0.613203 0.113203 Sb\n0.886797 0.886797 0.886797 Sb\n0.466861 0.033139 0.966861 Pt\n0.966861 0.466861 0.033139 Pt\n0.033139 0.966861 0.466861 Pt\n0.533139 0.533139 0.533139 Pt\n",
"nsites": 12,
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"elements": [
"Fe",
"Sb",
"Pt"
],
"chemical_system": "Fe-Pt-Sb",
"density": 10.697992251152401,
"density_atomic": 0.051859444637292376,
"volume": 231.394687774399,
"volume_molar": 11.612428174114017,
"formula_full": "Fe4 Sb4 Pt4",
"formula_reduced": "FeSbPt",
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"energy": -70.75807086,
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"updated_at": "2021-11-28T01:35:17.318000Z",
"spacegroup": 198
},
{
"id": "mp-1025551",
"created_at": "2022-09-04T14:41:18.666300Z",
"structure_string": "Ga4 Pt4\n1.0\n4.972941 0.000000 0.000000\n0.000000 4.972941 0.000000\n0.000000 0.000000 4.972941\nGa Pt\n4 4\ndirect\n0.658430 0.158430 0.341570 Ga\n0.158430 0.341570 0.658430 Ga\n0.341570 0.658430 0.158430 Ga\n0.841570 0.841570 0.841570 Ga\n0.360274 0.860274 0.639726 Pt\n0.860274 0.639726 0.360274 Pt\n0.639726 0.360274 0.860274 Pt\n0.139726 0.139726 0.139726 Pt\n",
"nsites": 8,
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],
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"density": 14.302061127329177,
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"volume": 122.98153802989981,
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"formula_full": "Ga4 Pt4",
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"energy": -41.43681667,
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"updated_at": "2021-11-28T01:35:19.425000Z",
"spacegroup": 198
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{
"id": "mp-1078464",
"created_at": "2022-09-04T14:41:19.124384Z",
"structure_string": "Mn4 Ge4\n1.0\n4.761882 0.000000 0.000000\n0.000000 4.761882 0.000000\n0.000000 0.000000 4.761882\nMn Ge\n4 4\ndirect\n0.637086 0.137086 0.362914 Mn\n0.137086 0.362914 0.637086 Mn\n0.362914 0.637086 0.137086 Mn\n0.862914 0.862914 0.862914 Mn\n0.342918 0.842918 0.657082 Ge\n0.842918 0.657082 0.342918 Ge\n0.657082 0.342918 0.842918 Ge\n0.157082 0.157082 0.157082 Ge\n",
"nsites": 8,
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"density": 7.847821990880242,
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"volume": 107.97815139494062,
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"formula_full": "Mn4 Ge4",
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"updated_at": "2021-11-28T01:35:16.020000Z",
"spacegroup": 198
},
{
"id": "mp-27233",
"created_at": "2022-09-04T14:41:19.829502Z",
"structure_string": "Sr32 Al32\n1.0\n12.771334 0.000000 0.000000\n0.000000 12.771334 0.000000\n0.000000 0.000000 12.771334\nSr Al\n32 32\ndirect\n0.201681 0.936307 0.981530 Sr\n0.295195 0.704805 0.204805 Sr\n0.704805 0.204805 0.295195 Sr\n0.795195 0.795195 0.795195 Sr\n0.807760 0.692240 0.307760 Sr\n0.692240 0.307760 0.807760 Sr\n0.307760 0.807760 0.692240 Sr\n0.192240 0.192240 0.192240 Sr\n0.018470 0.701681 0.563693 Sr\n0.518470 0.798319 0.436307 Sr\n0.981530 0.201681 0.936307 Sr\n0.798319 0.436307 0.518470 Sr\n0.936307 0.981530 0.201681 Sr\n0.436307 0.518470 0.798319 Sr\n0.701681 0.563693 0.018470 Sr\n0.563693 0.018470 0.701681 Sr\n0.204805 0.295195 0.704805 Sr\n0.298319 0.063693 0.481530 Sr\n0.063693 0.481530 0.298319 Sr\n0.481530 0.298319 0.063693 Sr\n0.302788 0.562235 0.498777 Sr\n0.802788 0.937765 0.501223 Sr\n0.697212 0.062235 0.001223 Sr\n0.937765 0.501223 0.802788 Sr\n0.001223 0.697212 0.062235 Sr\n0.501223 0.802788 0.937765 Sr\n0.562235 0.498777 0.302788 Sr\n0.498777 0.302788 0.562235 Sr\n0.062235 0.001223 0.697212 Sr\n0.437765 0.998777 0.197212 Sr\n0.998777 0.197212 0.437765 Sr\n0.197212 0.437765 0.998777 Sr\n0.064205 0.435795 0.564205 Al\n0.435795 0.564205 0.064205 Al\n0.564205 0.064205 0.435795 Al\n0.935795 0.935795 0.935795 Al\n0.436443 0.063557 0.936443 Al\n0.063557 0.936443 0.436443 Al\n0.936443 0.436443 0.063557 Al\n0.563557 0.563557 0.563557 Al\n0.258542 0.678280 0.923492 Al\n0.758542 0.821720 0.076508 Al\n0.741458 0.178280 0.576508 Al\n0.821720 0.076508 0.758542 Al\n0.576508 0.741458 0.178280 Al\n0.076508 0.758542 0.821720 Al\n0.678280 0.923492 0.258542 Al\n0.236210 0.812633 0.433494 Al\n0.178280 0.576508 0.741458 Al\n0.321720 0.423492 0.241458 Al\n0.423492 0.241458 0.321720 Al\n0.241458 0.321720 0.423492 Al\n0.263790 0.187367 0.933494 Al\n0.763790 0.312633 0.066506 Al\n0.736210 0.687367 0.566506 Al\n0.312633 0.066506 0.763790 Al\n0.566506 0.736210 0.687367 Al\n0.066506 0.763790 0.312633 Al\n0.187367 0.933494 0.263790 Al\n0.933494 0.263790 0.187367 Al\n0.687367 0.566506 0.736210 Al\n0.812633 0.433494 0.236210 Al\n0.433494 0.236210 0.812633 Al\n0.923492 0.258542 0.678280 Al\n",
"nsites": 64,
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"density": 2.92334946768121,
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"volume": 2083.0936189229637,
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"formula_full": "Sr32 Al32",
"formula_reduced": "SrAl",
"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:35:17.700000Z",
"spacegroup": 198
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{
"id": "mp-3830",
"created_at": "2022-09-04T14:41:21.387843Z",
"structure_string": "Ni4 As4 S4\n1.0\n5.695904 0.000000 0.000000\n0.000000 5.695904 0.000000\n0.000000 0.000000 5.695904\nNi As S\n4 4 4\ndirect\n0.493064 0.506936 0.006936 Ni\n0.506936 0.006936 0.493064 Ni\n0.993064 0.993064 0.993064 Ni\n0.006936 0.493064 0.506936 Ni\n0.379190 0.120810 0.879190 As\n0.879190 0.379190 0.120810 As\n0.620810 0.620810 0.620810 As\n0.120810 0.879190 0.379190 As\n0.615870 0.884130 0.115870 S\n0.115870 0.615870 0.884130 S\n0.884130 0.115870 0.615870 S\n0.384130 0.384130 0.384130 S\n",
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"density": 5.9551292479044715,
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"volume": 184.7940497016741,
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"formula_full": "Ni4 As4 S4",
"formula_reduced": "NiAsS",
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"energy": -64.23955982999999,
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{
"id": "mp-1219446",
"created_at": "2022-09-04T14:41:21.528162Z",
"structure_string": "Sb4 As4 Pd4\n1.0\n6.322307 0.000000 0.000000\n0.000000 6.322307 0.000000\n0.000000 0.000000 6.322307\nSb As Pd\n4 4 4\ndirect\n0.880863 0.119137 0.619137 Sb\n0.119137 0.619137 0.880863 Sb\n0.619137 0.880863 0.119137 Sb\n0.380863 0.380863 0.380863 Sb\n0.123621 0.876379 0.376379 As\n0.876379 0.376379 0.123621 As\n0.376379 0.123621 0.876379 As\n0.623621 0.623621 0.623621 As\n0.509220 0.490780 0.990780 Pd\n0.490780 0.990780 0.509220 Pd\n0.990780 0.509220 0.490780 Pd\n0.009220 0.009220 0.009220 Pd\n",
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{
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"formula_full": "Na12 Sb4 Te12",
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{
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"formula_full": "Sr36 Al24",
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},
{
"id": "mp-10849",
"created_at": "2022-09-04T14:41:24.061403Z",
"structure_string": "As4 Pd4 Se4\n1.0\n6.189423 0.000000 0.000000\n0.000000 6.189423 0.000000\n0.000000 0.000000 6.189423\nAs Pd Se\n4 4 4\ndirect\n0.116619 0.883381 0.383381 As\n0.883381 0.383381 0.116619 As\n0.616619 0.616619 0.616619 As\n0.383381 0.116619 0.883381 As\n0.993192 0.506808 0.493192 Pd\n0.506808 0.493192 0.993192 Pd\n0.493192 0.993192 0.506808 Pd\n0.006808 0.006808 0.006808 Pd\n0.113388 0.613388 0.886612 Se\n0.886612 0.113388 0.613388 Se\n0.613388 0.886612 0.113388 Se\n0.386612 0.386612 0.386612 Se\n",
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"formula_full": "As4 Pd4 Se4",
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]
}