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{
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"results": [
{
"id": "mp-1097481",
"created_at": "2022-09-04T14:44:07.387190Z",
"structure_string": "La1 Sb1 Au2\n1.0\n-5.399039 6.249596 8.824341\n5.399039 -6.249596 8.824341\n5.399039 6.249596 -8.824341\nLa Sb Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sb\n0.000000 0.249505 0.249505 Au\n0.000000 0.750495 0.750495 Au\n",
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{
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"updated_at": "2021-11-28T01:35:27.394000Z",
"spacegroup": 71
},
{
"id": "mp-1096014",
"created_at": "2022-09-04T14:40:04.803117Z",
"structure_string": "Y2 Hg1 Ru1\n1.0\n-5.728006 6.143738 8.475266\n5.728006 -6.143738 8.475266\n5.728006 6.143738 -8.475266\nY Hg Ru\n2 1 1\ndirect\n0.000000 0.204025 0.204025 Y\n0.000000 0.795975 0.795975 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ru\n",
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"density": 0.6673637243433233,
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"volume": 1193.0248231015955,
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"formula_full": "Y2 Hg1 Ru1",
"formula_reduced": "Y2HgRu",
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"energy_uncorrected": -14.92328104,
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"total_magnetization": 3.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.777000Z",
"spacegroup": 71
},
{
"id": "mp-1210439",
"created_at": "2022-09-04T14:48:24.084190Z",
"structure_string": "Sm2 Ga12\n1.0\n17.851547 0.000000 0.000000\n0.000000 17.851547 0.000000\n0.000000 0.000000 13.106840\nSm Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.892156 0.402774 Ga\n0.000000 0.107844 0.402774 Ga\n0.892156 0.000000 0.402774 Ga\n0.107844 0.000000 0.597226 Ga\n0.000000 0.107844 0.597226 Ga\n0.107844 0.000000 0.402774 Ga\n0.892156 0.000000 0.597226 Ga\n0.000000 0.892156 0.597226 Ga\n0.500000 0.000000 0.218800 Ga\n0.000000 0.500000 0.218800 Ga\n0.000000 0.500000 0.781200 Ga\n0.500000 0.000000 0.781200 Ga\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Ga-Sm",
"density": 0.45217972026178166,
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"volume": 4176.858022516243,
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"formula_full": "Sm2 Ga12",
"formula_reduced": "SmGa6",
"formula_anonymous": "AB6",
"energy": -26.18422238,
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"updated_at": "2021-11-28T01:39:28.709000Z",
"spacegroup": 123
},
{
"id": "mp-1097606",
"created_at": "2022-09-04T14:45:09.060617Z",
"structure_string": "Zr2 In1 Ag1\n1.0\n-5.801993 6.015496 8.549645\n5.801993 -6.015496 8.549645\n5.801993 6.015496 -8.549645\nZr In Ag\n2 1 1\ndirect\n0.000000 0.247923 0.247923 Zr\n0.000000 0.752077 0.752077 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"density": 0.5636263485048583,
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"volume": 1193.594245727387,
"volume_molar": 179.69981395240885,
"formula_full": "Zr2 In1 Ag1",
"formula_reduced": "Zr2InAg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:48.820000Z",
"spacegroup": 71
},
{
"id": "mp-1093982",
"created_at": "2022-09-04T14:42:15.431099Z",
"structure_string": "Ti1 Cd1 Pd2\n1.0\n-4.956240 6.534815 9.213601\n4.956240 -6.534815 9.213601\n4.956240 6.534815 -9.213601\nTi Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.222410 0.222410 Pd\n0.000000 0.777590 0.777590 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.5190632484374981,
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"volume": 1193.6445458558867,
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"formula_full": "Ti1 Cd1 Pd2",
"formula_reduced": "TiCdPd2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:37.106000Z",
"spacegroup": 71
},
{
"id": "mp-1210637",
"created_at": "2022-09-04T14:46:09.847615Z",
"structure_string": "Th4 B8 Os8\n1.0\n0.000000 0.000000 12.054459\n22.261321 0.000000 0.000000\n-0.000000 22.261321 0.000000\nTh B Os\n4 8 8\ndirect\n0.250000 0.250000 0.250000 Th\n0.250000 0.750000 0.750000 Th\n0.750000 0.250000 0.750000 Th\n0.750000 0.750000 0.250000 Th\n0.126345 0.035635 0.601010 B\n0.126345 0.964365 0.398990 B\n0.626345 0.898990 0.535635 B\n0.373655 0.464365 0.898990 B\n0.626345 0.101010 0.464365 B\n0.373655 0.535635 0.101010 B\n0.873655 0.601010 0.964365 B\n0.873655 0.398990 0.035635 B\n0.363673 0.615350 0.106246 Os\n0.363673 0.384650 0.893754 Os\n0.863673 0.393754 0.115350 Os\n0.136327 0.884650 0.393754 Os\n0.863673 0.606246 0.884650 Os\n0.136327 0.115350 0.606246 Os\n0.636327 0.106246 0.384650 Os\n0.636327 0.893754 0.615350 Os\n",
"nsites": 20,
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"elements": [
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"B",
"Os"
],
"chemical_system": "B-Os-Th",
"density": 0.7050679808344311,
"density_atomic": 0.0033479611316989876,
"volume": 5973.785003247816,
"volume_molar": 179.87487079767703,
"formula_full": "Th4 B8 Os8",
"formula_reduced": "Th(BOs)2",
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"spacegroup": 86
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{
"id": "mp-1096132",
"created_at": "2022-09-04T14:41:51.999424Z",
"structure_string": "Y2 Hg1 Pd1\n1.0\n-5.518790 6.188375 8.749864\n5.518790 -6.188375 8.749864\n5.518790 6.188375 -8.749864\nY Hg Pd\n2 1 1\ndirect\n0.000000 0.235284 0.235284 Y\n0.000000 0.764716 0.764716 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"Pd"
],
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"density": 0.6735182401540568,
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"volume": 1195.313393444666,
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"formula_full": "Y2 Hg1 Pd1",
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"updated_at": "2021-11-28T01:35:32.313000Z",
"spacegroup": 71
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{
"id": "mp-1095985",
"created_at": "2022-09-04T14:45:37.770143Z",
"structure_string": "Mg1 Ti1 Au2\n1.0\n-5.224159 6.641498 8.614224\n5.224159 -6.641498 8.614224\n5.224159 6.641498 -8.614224\nMg Ti Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.250790 0.250790 Au\n0.000000 0.749210 0.749210 Au\n",
"nsites": 4,
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"density": 0.6474025460716709,
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"volume": 1195.5247866855002,
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"formula_full": "Mg1 Ti1 Au2",
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{
"id": "mp-1096545",
"created_at": "2022-09-04T14:44:31.210892Z",
"structure_string": "Li1 Mg2 Cd1\n1.0\n-5.931944 6.008799 8.387754\n5.931944 -6.008799 8.387754\n5.931944 6.008799 -8.387754\nLi Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.751290 0.000000 0.751290 Mg\n0.248710 0.000000 0.248710 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"volume": 1195.8876894907605,
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"formula_full": "Li1 Mg2 Cd1",
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"updated_at": "2021-11-28T01:36:39.214000Z",
"spacegroup": 71
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{
"id": "mp-1097116",
"created_at": "2022-09-04T14:45:21.379872Z",
"structure_string": "Ca2 Zn1 Pd1\n1.0\n-5.791362 6.046307 8.538105\n5.791362 -6.046307 8.538105\n5.791362 6.046307 -8.538105\nCa Zn Pd\n2 1 1\ndirect\n0.000000 0.275624 0.275624 Ca\n0.000000 0.724376 0.724376 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
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"volume": 1195.8931808678685,
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"formula_full": "Ca2 Zn1 Pd1",
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"energy": -6.19793292,
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"updated_at": "2021-11-28T01:37:03.145000Z",
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{
"id": "mp-1096338",
"created_at": "2022-09-04T14:48:26.039636Z",
"structure_string": "Na1 Li1 Hg2\n1.0\n-5.910205 5.980608 8.459492\n5.910205 -5.980608 8.459492\n5.910205 5.980608 -8.459492\nNa Li Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.233214 0.233214 Hg\n0.000000 0.766786 0.766786 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Li-Na",
"density": 0.5985298458138731,
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"volume": 1196.0577729385905,
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"formula_full": "Na1 Li1 Hg2",
"formula_reduced": "NaLiHg2",
"formula_anonymous": "ABC2",
"energy": -2.08205359,
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"updated_at": "2021-11-28T01:39:13.688000Z",
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}
]
}