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{
"id": "mp-1097515",
"created_at": "2022-09-04T14:40:27.516221Z",
"structure_string": "K2 Ag1 Au1\n1.0\n-6.254620 6.411538 9.082052\n6.254620 -6.411538 9.082052\n6.254620 6.411538 -9.082052\nK Ag Au\n2 1 1\ndirect\n0.000000 0.255195 0.255195 K\n0.000000 0.744805 0.744805 K\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
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{
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"spacegroup": 71
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{
"id": "mp-1096166",
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"structure_string": "Be1 Al1 Co2\n1.0\n-4.564963 4.767122 6.744159\n4.564963 -4.767122 6.744159\n4.564963 4.767122 -6.744159\nBe Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Al\n0.000000 0.239337 0.239337 Co\n0.000000 0.760663 0.760663 Co\n",
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"volume": 587.0584185658138,
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"updated_at": "2021-11-28T01:38:07.653000Z",
"spacegroup": 71
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{
"id": "mp-1207287",
"created_at": "2022-09-04T14:48:18.347980Z",
"structure_string": "Nd2 As3 Au1\n1.0\n8.468697 0.000000 0.000000\n0.000000 8.468697 0.000000\n0.000000 0.000000 37.876121\nNd As Au\n2 3 1\ndirect\n0.500000 0.500000 0.243207 Nd\n0.500000 0.500000 0.756793 Nd\n0.500000 0.500000 0.691194 As\n0.500000 0.500000 0.308806 As\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.500000 Au\n",
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"volume": 2716.4310405541883,
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"formula_full": "Nd2 As3 Au1",
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"spacegroup": 123
},
{
"id": "mp-1097181",
"created_at": "2022-09-04T14:45:04.957520Z",
"structure_string": "Zr1 Sc1 Zn2\n1.0\n-5.629388 5.664049 8.008459\n5.629388 -5.664049 8.008459\n5.629388 5.664049 -8.008459\nZr Sc Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250162 0.250162 Zn\n0.000000 0.749838 0.749838 Zn\n",
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"spacegroup": 71
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{
"id": "mp-1214952",
"created_at": "2022-09-04T14:45:16.999007Z",
"structure_string": "Cd2 C12 O12\n1.0\n8.485567 4.678141 0.000000\n-8.485567 4.678141 0.000000\n0.000000 2.691318 27.035486\nCd C O\n2 12 12\ndirect\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.979667 0.560290 0.254104 C\n0.020333 0.439710 0.745896 C\n0.178598 0.443906 0.999739 C\n0.439710 0.020333 0.245896 C\n0.821402 0.556094 0.000261 C\n0.560290 0.979667 0.754104 C\n0.665687 0.439729 0.000160 C\n0.556094 0.821402 0.500261 C\n0.334313 0.560271 0.999840 C\n0.443906 0.178598 0.499739 C\n0.560271 0.334313 0.499840 C\n0.439729 0.665687 0.500160 C\n0.955534 0.177209 0.248706 O\n0.044466 0.822791 0.751294 O\n0.522016 0.346101 0.000182 O\n0.822791 0.044466 0.251294 O\n0.477984 0.653899 0.999818 O\n0.177209 0.955534 0.748706 O\n0.852215 0.533010 0.266336 O\n0.653899 0.477984 0.499818 O\n0.147785 0.466990 0.733664 O\n0.346101 0.522016 0.500182 O\n0.466990 0.147785 0.233664 O\n0.533010 0.852215 0.766336 O\n",
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"C",
"O"
],
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"density": 0.4339599337071895,
"density_atomic": 0.012113091477548937,
"volume": 2146.4380128053863,
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"formula_full": "Cd2 C12 O12",
"formula_reduced": "Cd(CO)6",
"formula_anonymous": "AB6C6",
"energy": -166.2071565,
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"spacegroup": 15
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{
"id": "mp-1093755",
"created_at": "2022-09-04T14:46:11.847803Z",
"structure_string": "Ca1 Cd2 Ag1\n1.0\n-6.076641 6.452671 9.096077\n6.076641 -6.452671 9.096077\n6.076641 6.452671 -9.096077\nCa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273937 0.273937 Cd\n0.000000 0.726063 0.726063 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"density": 0.43388110010760905,
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"volume": 1426.6492795667791,
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"formula_full": "Ca1 Cd2 Ag1",
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{
"id": "mp-1096495",
"created_at": "2022-09-04T14:44:17.917708Z",
"structure_string": "Li1 Ni2 As1\n1.0\n-4.746040 5.406772 7.439794\n4.746040 -5.406772 7.439794\n4.746040 5.406772 -7.439794\nLi Ni As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.279678 0.279678 Ni\n0.000000 0.720322 0.720322 Ni\n0.000000 0.500000 0.500000 As\n",
"nsites": 4,
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"density": 0.4332671552372679,
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"volume": 763.642959539414,
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"formula_full": "Li1 Ni2 As1",
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{
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"created_at": "2022-09-04T14:44:13.874988Z",
"structure_string": "H4 C1\n1.0\n-2.486764 2.486764 2.486764\n2.486764 -2.486764 2.486764\n2.486764 2.486764 -2.486764\nH C\n4 1\ndirect\n0.000000 0.000000 0.745600 H\n0.745600 0.000000 0.000000 H\n0.000000 0.745600 0.000000 H\n0.254400 0.254400 0.254400 H\n0.000000 0.000000 0.000000 C\n",
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"volume": 61.51254647553085,
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"formula_full": "H4 C1",
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{
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"structure_string": "Y2 Mg1 Tl1\n1.0\n-6.277254 6.636493 9.354688\n6.277254 -6.636493 9.354688\n6.277254 6.636493 -9.354688\nY Mg Tl\n2 1 1\ndirect\n0.000000 0.268848 0.268848 Y\n0.000000 0.731152 0.731152 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
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{
"id": "mp-1097185",
"created_at": "2022-09-04T14:40:31.969796Z",
"structure_string": "Li1 Zn2 Co1\n1.0\n-5.068549 5.093245 7.310917\n5.068549 -5.093245 7.310917\n5.068549 5.093245 -7.310917\nLi Zn Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.259642 0.259642 Zn\n0.000000 0.740358 0.740358 Zn\n0.000000 0.500000 0.500000 Co\n",
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{
"id": "mp-1096459",
"created_at": "2022-09-04T14:41:47.137862Z",
"structure_string": "Mg1 Sc2 Hg1\n1.0\n-5.940174 6.000677 8.483881\n5.940174 -6.000677 8.483881\n5.940174 6.000677 -8.483881\nMg Sc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.255796 0.255796 Sc\n0.000000 0.744204 0.744204 Sc\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.43215471803319633,
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"volume": 1209.633975682096,
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"formula_full": "Mg1 Sc2 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:26.813000Z",
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}
]
}