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{
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"results": [
{
"id": "mp-1096389",
"created_at": "2022-09-04T14:44:57.377564Z",
"structure_string": "Mg1 V1 Rh2\n1.0\n-4.795722 5.742528 8.109721\n4.795722 -5.742528 8.109721\n4.795722 5.742528 -8.109721\nMg V Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 V\n0.000000 0.288203 0.288203 Rh\n0.000000 0.711797 0.711797 Rh\n",
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{
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"density": 0.6964836107807056,
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"volume": 893.1881753451976,
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"formula_full": "Sc1 Ga2 Os1",
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},
{
"id": "mp-1096668",
"created_at": "2022-09-04T14:44:18.682525Z",
"structure_string": "Al1 Ag1 Au2\n1.0\n-5.076489 5.572454 7.877301\n5.076489 -5.572454 7.877301\n5.076489 5.572454 -7.877301\nAl Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ag\n0.000000 0.236424 0.236424 Au\n0.000000 0.763576 0.763576 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Al-Au",
"density": 0.9850972507116281,
"density_atomic": 0.004487584277515951,
"volume": 891.3481625383874,
"volume_molar": 134.1956025243382,
"formula_full": "Al1 Ag1 Au2",
"formula_reduced": "AlAgAu2",
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"energy": -9.3262889,
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"energy_uncorrected": -9.3262889,
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"total_magnetization": 4.47e-05,
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"updated_at": "2021-11-28T01:36:33.160000Z",
"spacegroup": 71
},
{
"id": "mp-1097319",
"created_at": "2022-09-04T14:45:06.917745Z",
"structure_string": "Mg1 Cu1 Au2\n1.0\n-4.960159 5.633725 7.967049\n4.960159 -5.633725 7.967049\n4.960159 5.633725 -7.967049\nMg Cu Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Cu\n0.000000 0.251118 0.251118 Au\n0.000000 0.748882 0.748882 Au\n",
"nsites": 4,
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"elements": [
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"Cu",
"Au"
],
"chemical_system": "Au-Cu-Mg",
"density": 0.8983651026664475,
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"volume": 890.5303427778451,
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"formula_full": "Mg1 Cu1 Au2",
"formula_reduced": "MgCuAu2",
"formula_anonymous": "ABC2",
"energy": -8.05305276,
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"energy_uncorrected": -8.05305276,
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"updated_at": "2021-11-28T01:36:48.490000Z",
"spacegroup": 71
},
{
"id": "mp-1097207",
"created_at": "2022-09-04T14:41:57.211080Z",
"structure_string": "Y1 Hf1 Ru2\n1.0\n-4.642273 5.819348 8.231547\n4.642273 -5.819348 8.231547\n4.642273 5.819348 -8.231547\nY Hf Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Hf\n0.000000 0.258064 0.258064 Ru\n0.000000 0.741936 0.741936 Ru\n",
"nsites": 4,
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"elements": [
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"volume": 889.5010378992743,
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"formula_full": "Y1 Hf1 Ru2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:35.448000Z",
"spacegroup": 71
},
{
"id": "mp-1096424",
"created_at": "2022-09-04T14:40:04.185353Z",
"structure_string": "Zr2 Cu1 Pt1\n1.0\n-5.090154 5.413318 8.070301\n5.090154 -5.413318 8.070301\n5.090154 5.413318 -8.070301\nZr Cu Pt\n2 1 1\ndirect\n0.000000 0.261869 0.261869 Zr\n0.000000 0.738131 0.738131 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
"Zr",
"Cu",
"Pt"
],
"chemical_system": "Cu-Pt-Zr",
"density": 0.8234179078024636,
"density_atomic": 0.004496926663134206,
"volume": 889.4963826721905,
"volume_molar": 133.9168105490689,
"formula_full": "Zr2 Cu1 Pt1",
"formula_reduced": "Zr2CuPt",
"formula_anonymous": "ABC2",
"energy": -16.16948177,
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"band_gap": 0.0,
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"total_magnetization": 0.0585442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.074000Z",
"spacegroup": 71
},
{
"id": "mp-1097333",
"created_at": "2022-09-04T14:41:01.743389Z",
"structure_string": "Sc2 Ga1 Pd1\n1.0\n-5.037892 5.715714 7.720585\n5.037892 -5.715714 7.720585\n5.037892 5.715714 -7.720585\nSc Ga Pd\n2 1 1\ndirect\n0.000000 0.262255 0.262255 Sc\n0.000000 0.737745 0.737745 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Sc",
"density": 0.49681041591978925,
"density_atomic": 0.00449811390262488,
"volume": 889.2616075519552,
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"formula_full": "Sc2 Ga1 Pd1",
"formula_reduced": "Sc2GaPd",
"formula_anonymous": "ABC2",
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"band_gap": 0.2138,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.388000Z",
"spacegroup": 71
},
{
"id": "mp-1093941",
"created_at": "2022-09-04T14:40:07.849921Z",
"structure_string": "Ta2 Ti1 Re1\n1.0\n-4.728178 5.601815 8.392475\n4.728178 -5.601815 8.392475\n4.728178 5.601815 -8.392475\nTa Ti Re\n2 1 1\ndirect\n0.000000 0.260137 0.260137 Ta\n0.000000 0.739863 0.739863 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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"Ti",
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],
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"density": 1.113014170626262,
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"volume": 889.1450756960155,
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"formula_full": "Ta2 Ti1 Re1",
"formula_reduced": "Ta2TiRe",
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"band_gap": 0.1644999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.879000Z",
"spacegroup": 71
},
{
"id": "mp-1096359",
"created_at": "2022-09-04T14:46:55.538788Z",
"structure_string": "Cd2 Cu1 Pt1\n1.0\n-5.117279 5.535737 7.835772\n5.117279 -5.535737 7.835772\n5.117279 5.535737 -7.835772\nCd Cu Pt\n2 1 1\ndirect\n0.000000 0.246016 0.246016 Cd\n0.000000 0.753984 0.753984 Cd\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.9041617529758949,
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"volume": 887.8841979144254,
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"formula_full": "Cd2 Cu1 Pt1",
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"updated_at": "2021-11-28T01:37:47.961000Z",
"spacegroup": 71
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{
"id": "mp-1212593",
"created_at": "2022-09-04T14:45:07.095192Z",
"structure_string": "Sb1 Mo6 S12\n1.0\n16.254718 0.000000 0.000000\n6.819123 15.558471 0.000000\n7.753703 0.124451 16.676434\nSb Mo S\n1 6 12\ndirect\n0.000000 0.000000 0.000000 Sb\n0.788375 0.387043 0.970425 Mo\n0.211625 0.612957 0.029575 Mo\n0.970905 0.160149 0.238616 Mo\n0.029095 0.839851 0.761384 Mo\n0.239755 0.143744 0.787106 Mo\n0.760245 0.856256 0.212894 Mo\n0.261551 0.085837 0.671863 S\n0.738449 0.914163 0.328137 S\n0.666043 0.346113 0.070376 S\n0.333957 0.653887 0.929624 S\n0.078419 0.031045 0.266173 S\n0.921581 0.968955 0.733827 S\n0.775234 0.253159 0.986398 S\n0.224766 0.746841 0.013602 S\n0.975793 0.023197 0.230345 S\n0.024207 0.976803 0.769655 S\n0.234941 0.011199 0.776308 S\n0.765059 0.988801 0.223692 S\n",
"nsites": 19,
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"elements": [
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"density": 0.42608775911807656,
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"volume": 4217.446121457824,
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"formula_full": "Sb1 Mo6 S12",
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{
"id": "mp-1096470",
"created_at": "2022-09-04T14:48:15.565282Z",
"structure_string": "Zr2 Pd1 Pt1\n1.0\n-5.004725 5.595588 7.922515\n5.004725 -5.595588 7.922515\n5.004725 5.595588 -7.922515\nZr Pd Pt\n2 1 1\ndirect\n0.000000 0.253307 0.253307 Zr\n0.000000 0.746693 0.746693 Zr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 0.9055290264037418,
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"volume": 887.4604556308261,
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"formula_full": "Zr2 Pd1 Pt1",
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"spacegroup": 71
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{
"id": "mp-1096386",
"created_at": "2022-09-04T14:48:24.941998Z",
"structure_string": "Zr1 Nb1 Re2\n1.0\n-4.651696 5.890963 8.093942\n4.651696 -5.890963 8.093942\n4.651696 5.890963 -8.093942\nZr Nb Re\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Nb\n0.000000 0.254590 0.254590 Re\n0.000000 0.745410 0.745410 Re\n",
"nsites": 4,
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"elements": [
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"Re"
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"chemical_system": "Nb-Re-Zr",
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"volume": 887.1921676078639,
"volume_molar": 133.56990286260174,
"formula_full": "Zr1 Nb1 Re2",
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"formula_anonymous": "ABC2",
"energy": -26.1742046,
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"updated_at": "2021-11-28T01:39:33.957000Z",
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}
]
}