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{
"id": "mp-1093603",
"created_at": "2022-09-04T14:40:15.814535Z",
"structure_string": "Ba2 Zn1 In1\n1.0\n-6.703487 7.025847 9.288618\n6.703487 -7.025847 9.288618\n6.703487 7.025847 -9.288618\nBa Zn In\n2 1 1\ndirect\n0.740505 0.000000 0.740505 Ba\n0.259495 0.000000 0.259495 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n",
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{
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"spacegroup": 71
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{
"id": "mp-1096367",
"created_at": "2022-09-04T14:42:50.009263Z",
"structure_string": "Sc2 Ni1 Pd1\n1.0\n-4.727539 5.914294 8.787803\n4.727539 -5.914294 8.787803\n4.727539 5.914294 -8.787803\nSc Ni Pd\n2 1 1\ndirect\n0.000000 0.238571 0.238571 Sc\n0.000000 0.761429 0.761429 Sc\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ni-Pd-Sc",
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"volume": 982.8298399049975,
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"formula_full": "Sc2 Ni1 Pd1",
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"updated_at": "2021-11-28T01:35:53.102000Z",
"spacegroup": 71
},
{
"id": "mp-1097287",
"created_at": "2022-09-04T14:41:27.860575Z",
"structure_string": "Mg2 Cu1 Rh1\n1.0\n-4.980125 5.393275 7.721884\n4.980125 -5.393275 7.721884\n4.980125 5.393275 -7.721884\nMg Cu Rh\n2 1 1\ndirect\n0.000000 0.253138 0.253138 Mg\n0.000000 0.746862 0.746862 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Mg-Rh",
"density": 0.43046286769565556,
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"volume": 829.6140022095572,
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"formula_full": "Mg2 Cu1 Rh1",
"formula_reduced": "Mg2CuRh",
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"updated_at": "2021-11-28T01:35:22.180000Z",
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},
{
"id": "mp-1093764",
"created_at": "2022-09-04T14:42:40.914573Z",
"structure_string": "Ba2 Zn1 Sn1\n1.0\n-6.725295 6.829242 9.634198\n6.725295 -6.829242 9.634198\n6.725295 6.829242 -9.634198\nBa Zn Sn\n2 1 1\ndirect\n0.000000 0.264156 0.264156 Ba\n0.000000 0.735844 0.735844 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 0.4304151480104372,
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"volume": 1769.9434899600897,
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"formula_full": "Ba2 Zn1 Sn1",
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"updated_at": "2021-11-28T01:35:49.355000Z",
"spacegroup": 71
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{
"id": "mp-1095870",
"created_at": "2022-09-04T14:44:23.439965Z",
"structure_string": "Ca2 Hg1 Ge1\n1.0\n-6.068015 6.305159 8.908799\n6.068015 -6.305159 8.908799\n6.068015 6.305159 -8.908799\nCa Hg Ge\n2 1 1\ndirect\n0.000000 0.229776 0.229776 Ca\n0.000000 0.770224 0.770224 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
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"elements": [
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"Ge"
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"density": 0.4304042957749594,
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"volume": 1363.3954501614148,
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"formula_full": "Ca2 Hg1 Ge1",
"formula_reduced": "Ca2HgGe",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:36.619000Z",
"spacegroup": 71
},
{
"id": "mp-1179684",
"created_at": "2022-09-04T14:44:02.345536Z",
"structure_string": "Rb1 S1\n1.0\n6.433489 5.883228 0.000000\n-6.433489 5.883228 0.000000\n0.000000 2.113365 5.992079\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
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"elements": [
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"S"
],
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"density": 0.43026736970699225,
"density_atomic": 0.004409204350965699,
"volume": 453.5965767977985,
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"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -5.44195915,
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"updated_at": "2021-11-28T01:36:24.706000Z",
"spacegroup": 12
},
{
"id": "mp-1097254",
"created_at": "2022-09-04T14:40:24.803684Z",
"structure_string": "Al2 Cr1 Tc1\n1.0\n-5.135269 5.207660 7.359683\n5.135269 -5.207660 7.359683\n5.135269 5.207660 -7.359683\nAl Cr Tc\n2 1 1\ndirect\n0.000000 0.261501 0.261501 Al\n0.000000 0.738499 0.738499 Al\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"Cr",
"Tc"
],
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"density": 0.4301970506859836,
"density_atomic": 0.005080834763561972,
"volume": 787.2722074503677,
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"formula_full": "Al2 Cr1 Tc1",
"formula_reduced": "Al2CrTc",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:56.567000Z",
"spacegroup": 71
},
{
"id": "mp-1096603",
"created_at": "2022-09-04T14:42:01.724522Z",
"structure_string": "Ba2 Li1 Hg1\n1.0\n-6.795938 7.135771 9.598488\n6.795938 -7.135771 9.598488\n6.795938 7.135771 -9.598488\nBa Li Hg\n2 1 1\ndirect\n0.262365 0.000000 0.262365 Ba\n0.737635 0.000000 0.737635 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.43004080240054776,
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"volume": 1861.8861869826633,
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"formula_full": "Ba2 Li1 Hg1",
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"updated_at": "2021-11-28T01:35:30.818000Z",
"spacegroup": 71
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{
"id": "mp-1096416",
"created_at": "2022-09-04T14:40:05.903758Z",
"structure_string": "Li2 Mg1 Au1\n1.0\n-5.408449 5.498078 7.638034\n5.408449 -5.498078 7.638034\n5.408449 5.498078 -7.638034\nLi Mg Au\n2 1 1\ndirect\n0.724392 0.000000 0.724392 Li\n0.275608 0.000000 0.275608 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
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"density": 0.4298089531545937,
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"volume": 908.5005910392708,
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"formula_full": "Li2 Mg1 Au1",
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"updated_at": "2021-11-28T01:34:48.266000Z",
"spacegroup": 71
},
{
"id": "mp-1096400",
"created_at": "2022-09-04T14:41:04.581115Z",
"structure_string": "Cs2 Cd1 Hg1\n1.0\n-7.080677 7.851528 10.057049\n7.080677 -7.851528 10.057049\n7.080677 7.851528 -10.057049\nCs Cd Hg\n2 1 1\ndirect\n0.749053 0.000000 0.749053 Cs\n0.250947 0.000000 0.250947 Cs\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
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"volume": 2236.4517079176258,
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"spacegroup": 71
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{
"id": "mp-1095746",
"created_at": "2022-09-04T14:45:08.019452Z",
"structure_string": "Li1 Y2 Pb1\n1.0\n-6.214910 6.566948 9.284118\n6.214910 -6.566948 9.284118\n6.214910 6.566948 -9.284118\nLi Y Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.272319 0.272319 Y\n0.000000 0.727681 0.727681 Y\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1515.6504898828914,
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"formula_full": "Li1 Y2 Pb1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:51.246000Z",
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}
]
}