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{
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{
"id": "mp-1097508",
"created_at": "2022-09-04T14:41:12.346862Z",
"structure_string": "La1 Zr1 Au2\n1.0\n-5.485468 6.215276 8.784187\n5.485468 -6.215276 8.784187\n5.485468 6.215276 -8.784187\nLa Zr Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Zr\n0.000000 0.249806 0.249806 Au\n0.000000 0.750194 0.750194 Au\n",
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{
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"updated_at": "2021-11-28T01:34:56.143000Z",
"spacegroup": 71
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{
"id": "mp-1093609",
"created_at": "2022-09-04T14:45:41.358933Z",
"structure_string": "Na1 In2 Pb1\n1.0\n-5.907214 6.092831 8.329903\n5.907214 -6.092831 8.329903\n5.907214 6.092831 -8.329903\nNa In Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.263301 0.263301 In\n0.000000 0.736699 0.736699 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.6367084766004555,
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"volume": 1199.2280325772747,
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"formula_full": "Na1 In2 Pb1",
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"updated_at": "2021-11-28T01:37:17.274000Z",
"spacegroup": 71
},
{
"id": "mp-1093972",
"created_at": "2022-09-04T14:43:37.234443Z",
"structure_string": "Ti1 Nb2 Re1\n1.0\n-4.645540 6.773979 9.527771\n4.645540 -6.773979 9.527771\n4.645540 6.773979 -9.527771\nTi Nb Re\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.257369 0.257369 Nb\n0.000000 0.742631 0.742631 Nb\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.58136639779202,
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"volume": 1199.3097144522799,
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"formula_full": "Ti1 Nb2 Re1",
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"updated_at": "2021-11-28T01:36:13.740000Z",
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{
"id": "mp-1093859",
"created_at": "2022-09-04T14:39:39.450780Z",
"structure_string": "Tl1 In2 Bi1\n1.0\n-5.623543 6.108193 8.732446\n5.623543 -6.108193 8.732446\n5.623543 6.108193 -8.732446\nTl In Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.256889 0.256889 In\n0.000000 0.743111 0.743111 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.003333813646918022,
"volume": 1199.8271120216455,
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"formula_full": "Tl1 In2 Bi1",
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"energy": -7.6636032,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.622000Z",
"spacegroup": 71
},
{
"id": "mp-1096541",
"created_at": "2022-09-04T14:47:19.326802Z",
"structure_string": "Li1 Sc2 Pd1\n1.0\n-5.583797 6.377756 8.429792\n5.583797 -6.377756 8.429792\n5.583797 6.377756 -8.429792\nLi Sc Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.289056 0.289056 Sc\n0.000000 0.710944 0.710944 Sc\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Sc",
"Pd"
],
"chemical_system": "Li-Pd-Sc",
"density": 0.28109559959334157,
"density_atomic": 0.0033310842739169033,
"volume": 1200.8102080517292,
"volume_molar": 180.78620247330994,
"formula_full": "Li1 Sc2 Pd1",
"formula_reduced": "LiSc2Pd",
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"energy": -12.33460652,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.637000Z",
"spacegroup": 71
},
{
"id": "mp-1097576",
"created_at": "2022-09-04T14:43:24.769863Z",
"structure_string": "Ca1 Tl1 Au2\n1.0\n-5.686703 6.111036 8.638736\n5.686703 -6.111036 8.638736\n5.686703 6.111036 -8.638736\nCa Tl Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.246609 0.246609 Au\n0.000000 0.753391 0.753391 Au\n",
"nsites": 4,
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"elements": [
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"Tl",
"Au"
],
"chemical_system": "Au-Ca-Tl",
"density": 0.8827802523562186,
"density_atomic": 0.0033309982827103794,
"volume": 1200.8412075028946,
"volume_molar": 180.79086954976998,
"formula_full": "Ca1 Tl1 Au2",
"formula_reduced": "CaTlAu2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.201000Z",
"spacegroup": 71
},
{
"id": "mp-1097584",
"created_at": "2022-09-04T14:41:25.909386Z",
"structure_string": "Y1 Ga1 Ag2\n1.0\n-5.616284 6.185913 8.645701\n5.616284 -6.185913 8.645701\n5.616284 6.185913 -8.645701\nY Ga Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.233413 0.233413 Ag\n0.000000 0.766587 0.766587 Ag\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5174061122000428,
"density_atomic": 0.003329253918551252,
"volume": 1201.4703888193148,
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"formula_full": "Y1 Ga1 Ag2",
"formula_reduced": "YGaAg2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.402000Z",
"spacegroup": 71
},
{
"id": "mp-1093848",
"created_at": "2022-09-04T14:48:06.369833Z",
"structure_string": "Sr1 La1 Au2\n1.0\n-5.694938 6.098926 8.650714\n5.694938 -6.098926 8.650714\n5.694938 6.098926 -8.650714\nSr La Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 La\n0.000000 0.256249 0.256249 Au\n0.000000 0.743751 0.743751 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.8572502133880592,
"density_atomic": 0.003328171379546383,
"volume": 1201.8611855694717,
"volume_molar": 180.944430836996,
"formula_full": "Sr1 La1 Au2",
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"updated_at": "2021-11-28T01:38:30.507000Z",
"spacegroup": 71
},
{
"id": "mp-1093908",
"created_at": "2022-09-04T14:47:15.257543Z",
"structure_string": "Zr2 Cd1 Hg1\n1.0\n-5.881318 5.980706 8.552660\n5.881318 -5.980706 8.552660\n5.881318 5.980706 -8.552660\nZr Cd Hg\n2 1 1\ndirect\n0.000000 0.252824 0.252824 Zr\n0.000000 0.747176 0.747176 Zr\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.6836908045183916,
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"volume": 1203.3398936635429,
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"updated_at": "2021-11-28T01:37:59.509000Z",
"spacegroup": 71
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{
"id": "mp-1097405",
"created_at": "2022-09-04T14:44:19.318170Z",
"structure_string": "Sc2 Cd1 Ga1\n1.0\n-5.724604 6.154295 8.539208\n5.724604 -6.154295 8.539208\n5.724604 6.154295 -8.539208\nSc Cd Ga\n2 1 1\ndirect\n0.000000 0.230902 0.230902 Sc\n0.000000 0.769098 0.769098 Sc\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
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"volume": 1203.3759931091683,
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"updated_at": "2021-11-28T01:36:32.218000Z",
"spacegroup": 71
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{
"id": "mp-1097487",
"created_at": "2022-09-04T14:48:00.856327Z",
"structure_string": "Mn1 Nb2 Mo1\n1.0\n-4.923585 6.150991 9.935697\n4.923585 -6.150991 9.935697\n4.923585 6.150991 -9.935697\nMn Nb Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.263196 0.263196 Nb\n0.000000 0.736804 0.736804 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"volume": 1203.6074342600282,
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"formula_full": "Mn1 Nb2 Mo1",
"formula_reduced": "MnNb2Mo",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:22.820000Z",
"spacegroup": 71
}
]
}