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{
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{
"id": "mp-1097236",
"created_at": "2022-09-04T14:43:15.501475Z",
"structure_string": "Li2 Sn1 Pb1\n1.0\n-5.601537 5.935772 8.408825\n5.601537 -5.935772 8.408825\n5.601537 5.935772 -8.408825\nLi Sn Pb\n2 1 1\ndirect\n0.000000 0.247780 0.247780 Li\n0.000000 0.752220 0.752220 Li\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Pb\n",
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{
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"updated_at": "2021-11-28T01:35:34.666000Z",
"spacegroup": 71
},
{
"id": "mp-1093917",
"created_at": "2022-09-04T14:46:53.443445Z",
"structure_string": "Ti2 Be1 Re1\n1.0\n-4.770232 6.578316 8.922851\n4.770232 -6.578316 8.922851\n4.770232 6.578316 -8.922851\nTi Be Re\n2 1 1\ndirect\n0.000000 0.272946 0.272946 Ti\n0.000000 0.727054 0.727054 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Re\n",
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"elements": [
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"chemical_system": "Be-Re-Ti",
"density": 0.43137437524796335,
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"volume": 1119.9995942848043,
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"formula_full": "Ti2 Be1 Re1",
"formula_reduced": "Ti2BeRe",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:41.011000Z",
"spacegroup": 71
},
{
"id": "mp-1093712",
"created_at": "2022-09-04T14:44:59.063950Z",
"structure_string": "Sc2 Al1 Hg1\n1.0\n-5.766908 5.874434 8.273620\n5.766908 -5.874434 8.273620\n5.766908 5.874434 -8.273620\nSc Al Hg\n2 1 1\ndirect\n0.000000 0.241612 0.241612 Sc\n0.000000 0.758388 0.758388 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Al",
"Hg"
],
"chemical_system": "Al-Hg-Sc",
"density": 0.4702247187840198,
"density_atomic": 0.0035677579110123476,
"volume": 1121.152303426609,
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"formula_full": "Sc2 Al1 Hg1",
"formula_reduced": "Sc2AlHg",
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"energy": -8.60337506,
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"updated_at": "2021-11-28T01:36:49.578000Z",
"spacegroup": 71
},
{
"id": "mp-1097533",
"created_at": "2022-09-04T14:43:14.631472Z",
"structure_string": "V1 Sn1 Ru2\n1.0\n-4.637719 6.106793 9.901735\n4.637719 -6.106793 9.901735\n4.637719 6.106793 -9.901735\nV Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Sn\n0.000000 0.218826 0.218826 Ru\n0.000000 0.781174 0.781174 Ru\n",
"nsites": 4,
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"volume": 1121.7315128706937,
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"formula_full": "V1 Sn1 Ru2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:01.937000Z",
"spacegroup": 71
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{
"id": "mp-1096025",
"created_at": "2022-09-04T14:42:48.489376Z",
"structure_string": "Ca1 Pd1 Au2\n1.0\n-5.259576 6.144988 8.679319\n5.259576 -6.144988 8.679319\n5.259576 6.144988 -8.679319\nCa Pd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Pd\n0.000000 0.251209 0.251209 Au\n0.000000 0.748791 0.748791 Au\n",
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"Au"
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"density": 0.7997827724991344,
"density_atomic": 0.003564860790887509,
"volume": 1122.0634506191077,
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"formula_full": "Ca1 Pd1 Au2",
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"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.353000Z",
"spacegroup": 71
},
{
"id": "mp-1097348",
"created_at": "2022-09-04T14:39:35.634521Z",
"structure_string": "Zr2 Co1 Ru1\n1.0\n-4.397500 6.673823 9.561316\n4.397500 -6.673823 9.561316\n4.397500 6.673823 -9.561316\nZr Co Ru\n2 1 1\ndirect\n0.000000 0.244807 0.244807 Zr\n0.000000 0.755193 0.755193 Zr\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"Co",
"Ru"
],
"chemical_system": "Co-Ru-Zr",
"density": 0.506628466039549,
"density_atomic": 0.0035637054051657208,
"volume": 1122.427233800486,
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"formula_full": "Zr2 Co1 Ru1",
"formula_reduced": "Zr2CoRu",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.804000Z",
"spacegroup": 71
},
{
"id": "mp-1096259",
"created_at": "2022-09-04T14:41:45.753162Z",
"structure_string": "Zr2 Hg1 Au1\n1.0\n-5.690312 5.948085 8.298786\n5.690312 -5.948085 8.298786\n5.690312 5.948085 -8.298786\nZr Hg Au\n2 1 1\ndirect\n0.000000 0.230362 0.230362 Zr\n0.000000 0.769638 0.769638 Zr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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"density": 0.8572208183772435,
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"volume": 1123.5380954165623,
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"updated_at": "2021-11-28T01:35:23.125000Z",
"spacegroup": 71
},
{
"id": "mp-1095967",
"created_at": "2022-09-04T14:48:13.675624Z",
"structure_string": "La2 Ag1 Os1\n1.0\n-5.470336 5.942797 8.642331\n5.470336 -5.942797 8.642331\n5.470336 5.942797 -8.642331\nLa Ag Os\n2 1 1\ndirect\n0.000000 0.280699 0.280699 La\n0.000000 0.719301 0.719301 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"density": 0.8509563503368082,
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"volume": 1123.8174853545634,
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"formula_full": "La2 Ag1 Os1",
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"updated_at": "2021-11-28T01:38:41.882000Z",
"spacegroup": 71
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{
"id": "mp-1093693",
"created_at": "2022-09-04T14:46:34.374204Z",
"structure_string": "Hf1 Tl1 Au2\n1.0\n-5.558825 5.972419 8.464410\n5.558825 -5.972419 8.464410\n5.558825 5.972419 -8.464410\nHf Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Tl\n0.000000 0.237882 0.237882 Au\n0.000000 0.762118 0.762118 Au\n",
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"updated_at": "2021-11-28T01:37:41.501000Z",
"spacegroup": 71
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{
"id": "mp-1095926",
"created_at": "2022-09-04T14:45:25.324088Z",
"structure_string": "La1 Y1 Au2\n1.0\n-5.506092 6.177863 8.272333\n5.506092 -6.177863 8.272333\n5.506092 6.177863 -8.272333\nLa Y Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.250329 0.250329 Au\n0.000000 0.749671 0.749671 Au\n",
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"volume": 1125.56281414059,
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"formula_full": "La1 Y1 Au2",
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{
"id": "mp-1093906",
"created_at": "2022-09-04T14:41:29.708647Z",
"structure_string": "La1 Bi1 Pd2\n1.0\n-4.988327 6.320012 8.925653\n4.988327 -6.320012 8.925653\n4.988327 6.320012 -8.925653\nLa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 Bi\n0.000000 0.234421 0.234421 Pd\n0.000000 0.765579 0.765579 Pd\n",
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"formula_full": "La1 Bi1 Pd2",
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"updated_at": "2021-11-28T01:35:24.846000Z",
"spacegroup": 71
}
]
}