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{
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"results": [
{
"id": "mp-1272663",
"created_at": "2022-09-04T14:41:18.063735Z",
"structure_string": "Sr6 Co2 Ru2 O12\n1.0\n4.790532 2.773946 3.653779\n-4.908948 2.803646 3.791304\n-0.034027 -5.657951 3.786265\nSr Co Ru O\n6 2 2 12\ndirect\n0.613364 0.888073 0.253687 Sr\n0.885825 0.248866 0.612571 Sr\n0.248767 0.613350 0.887072 Sr\n0.114358 0.752435 0.388145 Sr\n0.747918 0.386427 0.112916 Sr\n0.386906 0.112832 0.747225 Sr\n0.749740 0.742774 0.759560 Co\n0.243451 0.257653 0.241032 Co\n0.500836 0.499919 0.499044 Ru\n0.000529 0.998813 0.999823 Ru\n0.532775 0.213835 0.402075 O\n0.217572 0.413966 0.544851 O\n0.404637 0.539583 0.213296 O\n0.032924 0.902494 0.713319 O\n0.903883 0.712363 0.039251 O\n0.717015 0.048827 0.916957 O\n0.468828 0.786936 0.596813 O\n0.783624 0.584830 0.453998 O\n0.597543 0.462219 0.785912 O\n0.967779 0.096069 0.287318 O\n0.098890 0.286208 0.961353 O\n0.282835 0.951528 0.083781 O\n",
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"formula_full": "Sr6 Co2 Ru2 O12",
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"spacegroup": 15
},
{
"id": "mp-1111935",
"created_at": "2022-09-04T14:41:18.067958Z",
"structure_string": "K2 Fe1 Hg1 F6\n1.0\n6.337442 0.000000 0.000000\n3.168721 5.488385 0.000000\n3.168721 1.829462 5.174499\nK Fe Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Hg\n0.218820 0.781180 0.218820 F\n0.781180 0.781180 0.218820 F\n0.781180 0.218820 0.781180 F\n0.781180 0.218820 0.218820 F\n0.218820 0.781180 0.781180 F\n0.218820 0.218820 0.781180 F\n",
"nsites": 10,
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"elements": [
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"Hg",
"F"
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"chemical_system": "F-Fe-Hg-K",
"density": 4.139070363798318,
"density_atomic": 0.05556139308409539,
"volume": 179.98108839467758,
"volume_molar": 10.83871448450751,
"formula_full": "K2 Fe1 Hg1 F6",
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"formula_anonymous": "ABC2D6",
"energy": -47.31336687,
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"updated_at": "2021-11-28T01:35:25.939000Z",
"spacegroup": 225
},
{
"id": "mp-771263",
"created_at": "2022-09-04T14:41:18.074324Z",
"structure_string": "Li12 V4 Si4 B4 O28\n1.0\n0.188003 -0.000003 5.110311\n16.702524 -0.000190 0.714427\n-0.000074 6.431851 -0.000002\nLi V Si B O\n12 4 4 4 28\ndirect\n0.756828 0.053348 0.250005 Li\n0.757391 0.553382 0.250002 Li\n0.242835 0.446639 0.750010 Li\n0.242806 0.946626 0.750002 Li\n0.237411 0.115897 0.994562 Li\n0.237867 0.615922 0.994495 Li\n0.237369 0.115857 0.505539 Li\n0.237863 0.615920 0.505476 Li\n0.762567 0.384112 0.494521 Li\n0.762253 0.884024 0.494701 Li\n0.762613 0.384122 0.005518 Li\n0.762266 0.884030 0.005292 Li\n0.795241 0.662566 0.749988 V\n0.204866 0.337525 0.249951 V\n0.795248 0.162429 0.750010 V\n0.204514 0.837459 0.250005 V\n0.730701 0.213431 0.250009 Si\n0.730540 0.713477 0.249993 Si\n0.269584 0.286486 0.749979 Si\n0.269214 0.786541 0.749996 Si\n0.721327 0.019114 0.749995 B\n0.721186 0.519143 0.749997 B\n0.278991 0.480896 0.250001 B\n0.278515 0.980853 0.250001 B\n0.356192 0.056109 0.250013 O\n0.356625 0.556166 0.249986 O\n0.643593 0.443896 0.750028 O\n0.643463 0.943883 0.749991 O\n0.976847 0.042759 0.749978 O\n0.976671 0.542837 0.750001 O\n0.023467 0.457241 0.250020 O\n0.022995 0.957182 0.249993 O\n0.532727 0.087005 0.750016 O\n0.532651 0.587061 0.749954 O\n0.467474 0.412986 0.249977 O\n0.467017 0.912948 0.250004 O\n0.415087 0.238914 0.249942 O\n0.414861 0.738818 0.250001 O\n0.585188 0.261163 0.750050 O\n0.584968 0.761215 0.749966 O\n0.131894 0.200646 0.750025 O\n0.131951 0.700602 0.750004 O\n0.868267 0.299344 0.250077 O\n0.867823 0.799390 0.249980 O\n0.822866 0.154682 0.055175 O\n0.822620 0.654739 0.055067 O\n0.822789 0.154678 0.444854 O\n0.822661 0.654739 0.444900 O\n0.177565 0.345313 0.555113 O\n0.177105 0.845287 0.555115 O\n0.177499 0.345307 0.944839 O\n0.177139 0.845289 0.944885 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Li",
"V",
"Si",
"B",
"O"
],
"chemical_system": "B-Li-O-Si-V",
"density": 2.6981344297641083,
"density_atomic": 0.09486846541571614,
"volume": 548.1273442353538,
"volume_molar": 6.34788465651976,
"formula_full": "Li12 V4 Si4 B4 O28",
"formula_reduced": "Li3VSiBO7",
"formula_anonymous": "ABCD3E7",
"energy": -385.92841162,
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"updated_at": "2021-11-28T01:35:18.819000Z",
"spacegroup": 11
},
{
"id": "mp-1191816",
"created_at": "2022-09-04T14:41:18.075057Z",
"structure_string": "Gd6 Be2 Cr2 S14\n1.0\n4.865788 -8.427793 0.000000\n4.865788 8.427793 0.000000\n0.000000 0.000000 5.935505\nGd Be Cr S\n6 2 2 14\ndirect\n0.609863 0.861127 0.253019 Gd\n0.138873 0.748736 0.253019 Gd\n0.251264 0.390137 0.253019 Gd\n0.390137 0.138873 0.753019 Gd\n0.861127 0.251264 0.753019 Gd\n0.748736 0.609863 0.753019 Gd\n0.333333 0.666667 0.837243 Be\n0.666667 0.333333 0.337243 Be\n0.000000 0.000000 0.481617 Cr\n0.000000 0.000000 0.981617 Cr\n0.775695 0.920915 0.726991 S\n0.079085 0.854780 0.726991 S\n0.145220 0.224305 0.726991 S\n0.224305 0.079085 0.226991 S\n0.920915 0.145220 0.226991 S\n0.854780 0.775695 0.226991 S\n0.482676 0.589116 0.974752 S\n0.410884 0.893560 0.974752 S\n0.106440 0.517324 0.974752 S\n0.517324 0.410884 0.474752 S\n0.589116 0.106440 0.474752 S\n0.893560 0.482676 0.474752 S\n0.333333 0.666667 0.484830 S\n0.666667 0.333333 0.984830 S\n",
"nsites": 24,
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"elements": [
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"Be",
"Cr",
"S"
],
"chemical_system": "Be-Cr-Gd-S",
"density": 5.165859645108402,
"density_atomic": 0.04930109074340917,
"volume": 486.80464545722947,
"volume_molar": 12.215025406522209,
"formula_full": "Gd6 Be2 Cr2 S14",
"formula_reduced": "Gd3BeCrS7",
"formula_anonymous": "ABC3D7",
"energy": -214.09371782,
"energy_per_atom": -8.920571575833334,
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"updated_at": "2021-11-28T01:35:15.329000Z",
"spacegroup": 173
},
{
"id": "mp-554708",
"created_at": "2022-09-04T14:41:18.075971Z",
"structure_string": "Cs4 Mo30 S38\n1.0\n19.217410 -4.771177 0.000000\n19.217410 4.771177 0.000000\n18.032853 0.000000 8.178583\nCs Mo S\n4 30 38\ndirect\n0.386563 0.386563 0.386563 Cs\n0.113437 0.113437 0.113437 Cs\n0.886563 0.886563 0.886563 Cs\n0.613437 0.613437 0.613437 Cs\n0.783013 0.958928 0.630048 Mo\n0.997346 0.134164 0.806536 Mo\n0.002654 0.865836 0.193464 Mo\n0.283013 0.130048 0.458928 Mo\n0.958928 0.630048 0.783013 Mo\n0.216987 0.041072 0.369952 Mo\n0.413529 0.086471 0.250000 Mo\n0.365836 0.502654 0.693464 Mo\n0.250000 0.413529 0.086471 Mo\n0.541072 0.716987 0.869952 Mo\n0.913529 0.750000 0.586471 Mo\n0.193464 0.002654 0.865836 Mo\n0.716987 0.869952 0.541072 Mo\n0.134164 0.806536 0.997346 Mo\n0.458928 0.283013 0.130048 Mo\n0.086471 0.250000 0.413529 Mo\n0.865836 0.193464 0.002654 Mo\n0.130048 0.458928 0.283013 Mo\n0.630048 0.783013 0.958928 Mo\n0.497346 0.306536 0.634164 Mo\n0.586471 0.913529 0.750000 Mo\n0.369952 0.216987 0.041072 Mo\n0.806536 0.997346 0.134164 Mo\n0.306536 0.634164 0.497346 Mo\n0.693464 0.365836 0.502654 Mo\n0.750000 0.586471 0.913529 Mo\n0.634164 0.497346 0.306536 Mo\n0.502654 0.693464 0.365836 Mo\n0.869952 0.541072 0.716987 Mo\n0.041072 0.369952 0.216987 Mo\n0.250000 0.950922 0.549078 S\n0.428359 0.014199 0.699327 S\n0.514199 0.928359 0.199327 S\n0.795271 0.204102 0.451499 S\n0.951499 0.704102 0.295271 S\n0.699327 0.428359 0.014199 S\n0.322977 0.322977 0.322977 S\n0.704102 0.295271 0.951499 S\n0.049078 0.450922 0.750000 S\n0.928359 0.199327 0.514199 S\n0.750000 0.049078 0.450922 S\n0.800673 0.485801 0.071641 S\n0.822977 0.822977 0.822977 S\n0.447036 0.447036 0.447036 S\n0.947036 0.947036 0.947036 S\n0.295898 0.704729 0.048501 S\n0.485801 0.071641 0.800673 S\n0.014199 0.699327 0.428359 S\n0.795898 0.548501 0.204729 S\n0.548501 0.204729 0.795898 S\n0.552964 0.552964 0.552964 S\n0.052964 0.052964 0.052964 S\n0.950922 0.549078 0.250000 S\n0.204102 0.451499 0.795271 S\n0.048501 0.295898 0.704729 S\n0.571641 0.985801 0.300673 S\n0.985801 0.300673 0.571641 S\n0.204729 0.795898 0.548501 S\n0.549078 0.250000 0.950922 S\n0.300673 0.571641 0.985801 S\n0.677023 0.677023 0.677023 S\n0.704729 0.048501 0.295898 S\n0.071641 0.800673 0.485801 S\n0.177023 0.177023 0.177023 S\n0.199327 0.514199 0.928359 S\n0.295271 0.951499 0.704102 S\n0.450922 0.750000 0.049078 S\n0.451499 0.795271 0.204102 S\n",
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"volume": 1499.7830642086326,
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"formula_full": "Cs4 Mo30 S38",
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"spacegroup": 167
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{
"id": "mp-1518545",
"created_at": "2022-09-04T14:41:18.076873Z",
"structure_string": "Sr1 Nd1 Ni1 Sb1 O6\n1.0\n0.000000 -3.992432 -3.992432\n3.992432 0.000000 -3.992432\n3.992432 -3.992432 0.000000\nSr Nd Ni Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Sb\n0.746885 0.253115 0.253115 O\n0.253115 0.746885 0.746885 O\n0.746885 0.253115 0.746885 O\n0.253115 0.746885 0.253115 O\n0.746885 0.746885 0.253115 O\n0.253115 0.253115 0.746885 O\n",
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],
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"density": 6.631880770405478,
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"volume": 127.27484572406729,
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"formula_full": "Sr1 Nd1 Ni1 Sb1 O6",
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"energy": -70.86452917999999,
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"spacegroup": 216
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{
"id": "mp-1104731",
"created_at": "2022-09-04T14:41:18.079367Z",
"structure_string": "Ce9 Pt6\n1.0\n6.119325 -4.478657 0.000000\n6.119325 4.478657 0.000000\n2.841452 0.000000 7.030694\nCe Pt\n9 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.207052 0.207052 0.207052 Ce\n0.792948 0.792948 0.792948 Ce\n0.388973 0.661249 0.167101 Ce\n0.661249 0.167101 0.388973 Ce\n0.167101 0.388973 0.661249 Ce\n0.611027 0.338751 0.832899 Ce\n0.338751 0.832899 0.611027 Ce\n0.832899 0.611027 0.338751 Ce\n0.044920 0.841083 0.406146 Pt\n0.841083 0.406146 0.044920 Pt\n0.406146 0.044920 0.841083 Pt\n0.955080 0.158917 0.593854 Pt\n0.158917 0.593854 0.955080 Pt\n0.593854 0.955080 0.158917 Pt\n",
"nsites": 15,
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"elements": [
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"density": 10.477373600151083,
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"volume": 385.3714299406937,
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"formula_full": "Ce9 Pt6",
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{
"id": "mp-1112183",
"created_at": "2022-09-04T14:41:18.084005Z",
"structure_string": "K2 In1 Sb1 Br6\n1.0\n0.000000 5.861444 5.861444\n5.861444 0.000000 5.861444\n5.861444 5.861444 0.000000\nK In Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.759089 0.240911 0.240911 Br\n0.240911 0.240911 0.759089 Br\n0.240911 0.759089 0.759089 Br\n0.240911 0.759089 0.240911 Br\n0.759089 0.240911 0.759089 Br\n0.759089 0.759089 0.240911 Br\n",
"nsites": 10,
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"elements": [
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{
"id": "mp-1388601",
"created_at": "2022-09-04T14:41:18.086198Z",
"structure_string": "Tl4 Se2 O8\n1.0\n5.405610 3.352703 0.000000\n-5.405610 3.352703 0.000000\n0.000000 0.026460 8.210592\nTl Se O\n4 2 8\ndirect\n0.667725 0.332275 0.250000 Tl\n0.000000 0.000000 0.000000 Tl\n0.332275 0.667725 0.750000 Tl\n0.000000 0.000000 0.500000 Tl\n0.656323 0.343677 0.750000 Se\n0.343677 0.656323 0.250000 Se\n0.762286 0.640217 0.753185 O\n0.735294 0.250908 0.919563 O\n0.749092 0.264706 0.580437 O\n0.359783 0.237714 0.746815 O\n0.264706 0.749092 0.080437 O\n0.640217 0.762286 0.253185 O\n0.250908 0.735294 0.419563 O\n0.237714 0.359783 0.246815 O\n",
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{
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{
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{
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}