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{
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"results": [
{
"id": "mp-70",
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{
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"density": 10.637790848427937,
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"volume": 1684.4831357479486,
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"formula_full": "Ca14 Hg51",
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"energy": -63.15986163,
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"spacegroup": 174
},
{
"id": "mp-1040",
"created_at": "2022-09-04T14:48:03.280877Z",
"structure_string": "Rb2 Cd26\n1.0\n0.000000 7.074506 7.074506\n7.074506 0.000000 7.074506\n7.074506 7.074506 0.000000\nRb Cd\n2 26\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.441039 0.198820 0.801180 Cd\n0.941039 0.698820 0.058961 Cd\n0.698820 0.941039 0.301180 Cd\n0.301180 0.698820 0.941039 Cd\n0.941039 0.058961 0.301180 Cd\n0.698820 0.058961 0.941039 Cd\n0.301180 0.941039 0.058961 Cd\n0.801180 0.441039 0.198820 Cd\n0.198820 0.801180 0.441039 Cd\n0.441039 0.558961 0.198820 Cd\n0.441039 0.801180 0.558961 Cd\n0.198820 0.558961 0.801180 Cd\n0.558961 0.441039 0.801180 Cd\n0.558961 0.198820 0.441039 Cd\n0.801180 0.198820 0.558961 Cd\n0.058961 0.941039 0.698820 Cd\n0.058961 0.301180 0.941039 Cd\n0.941039 0.301180 0.698820 Cd\n0.058961 0.698820 0.301180 Cd\n0.301180 0.058961 0.698820 Cd\n0.698820 0.301180 0.058961 Cd\n0.198820 0.441039 0.558961 Cd\n0.801180 0.558961 0.441039 Cd\n0.558961 0.801180 0.198820 Cd\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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"elements": [
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"chemical_system": "Cd-Rb",
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{
"id": "mp-1186853",
"created_at": "2022-09-04T14:42:38.148736Z",
"structure_string": "Rb20\n1.0\n12.299084 0.000000 0.000000\n0.000000 12.299084 0.000000\n0.000000 0.000000 12.299084\nRb\n20\ndirect\n0.875000 0.702783 0.047217 Rb\n0.062768 0.062768 0.062768 Rb\n0.202783 0.452783 0.125000 Rb\n0.812768 0.312768 0.187232 Rb\n0.452783 0.125000 0.202783 Rb\n0.547217 0.625000 0.297217 Rb\n0.187232 0.812768 0.312768 Rb\n0.797217 0.952783 0.375000 Rb\n0.937232 0.562768 0.437232 Rb\n0.125000 0.202783 0.452783 Rb\n0.625000 0.297217 0.547217 Rb\n0.437232 0.937232 0.562768 Rb\n0.297217 0.547217 0.625000 Rb\n0.687232 0.687232 0.687232 Rb\n0.047217 0.875000 0.702783 Rb\n0.952783 0.375000 0.797217 Rb\n0.312768 0.187232 0.812768 Rb\n0.702783 0.047217 0.875000 Rb\n0.562768 0.437232 0.937232 Rb\n0.375000 0.797217 0.952783 Rb\n",
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"formula_full": "Rb20",
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"spacegroup": 213
},
{
"id": "mp-1097180",
"created_at": "2022-09-04T14:47:06.942959Z",
"structure_string": "La2 Cd1 Hg1\n1.0\n-5.867879 6.095231 8.961507\n5.867879 -6.095231 8.961507\n5.867879 6.095231 -8.961507\nLa Cd Hg\n2 1 1\ndirect\n0.000000 0.252275 0.252275 La\n0.000000 0.747725 0.747725 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.7652194535487743,
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"formula_full": "La2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:37:55.113000Z",
"spacegroup": 71
},
{
"id": "mp-1097112",
"created_at": "2022-09-04T14:48:12.771373Z",
"structure_string": "Ba1 Na1 Tl2\n1.0\n-6.315357 7.230269 10.286425\n6.315357 -7.230269 10.286425\n6.315357 7.230269 -10.286425\nBa Na Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.243371 0.243371 Tl\n0.000000 0.756629 0.756629 Tl\n",
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"density_atomic": 0.002129036832954414,
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{
"id": "mp-1095780",
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"structure_string": "La2 Zn1 Hg1\n1.0\n-6.060998 6.181054 8.445720\n6.060998 -6.181054 8.445720\n6.060998 6.181054 -8.445720\nLa Zn Hg\n2 1 1\ndirect\n0.000000 0.242658 0.242658 La\n0.000000 0.757342 0.757342 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
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{
"id": "mp-1097505",
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"structure_string": "In1 Sn1 Hg2\n1.0\n-5.896173 6.055785 8.623827\n5.896173 -6.055785 8.623827\n5.896173 6.055785 -8.623827\nIn Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Sn\n0.000000 0.255789 0.255789 Hg\n0.000000 0.744211 0.744211 Hg\n",
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},
{
"id": "mp-990248",
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"structure_string": "Ti1 Ag1 F6\n1.0\n-5.262920 0.000000 0.000000\n2.620664 4.787547 0.000000\n-0.040191 -2.842972 -4.843993\nTi Ag F\n1 1 6\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ag\n0.423069 0.003899 0.290931 F\n0.576931 0.996101 0.709069 F\n0.256932 0.413443 0.727376 F\n0.743068 0.586557 0.272624 F\n0.849272 0.641508 0.741204 F\n0.150728 0.358492 0.258796 F\n",
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"formula_full": "Ti1 Ag1 F6",
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{
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"structure_string": "Rb4\n1.0\n2.538581 -4.396951 0.000000\n2.538581 4.396951 0.000000\n0.000000 0.000000 16.471521\nRb\n4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.250000 Rb\n",
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{
"id": "mp-1097585",
"created_at": "2022-09-04T14:46:28.035948Z",
"structure_string": "Na1 Li2 Tl1\n1.0\n-5.951445 6.120577 8.354639\n5.951445 -6.120577 8.354639\n5.951445 6.120577 -8.354639\nNa Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.740156 0.000000 0.740156 Li\n0.259844 0.000000 0.259844 Li\n0.500000 0.000000 0.500000 Tl\n",
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{
"id": "mp-1093814",
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"structure_string": "Na1 Mg1 In2\n1.0\n-6.137566 6.288779 8.803244\n6.137566 -6.288779 8.803244\n6.137566 6.288779 -8.803244\nNa Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.259912 0.259912 In\n0.000000 0.740088 0.740088 In\n",
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}
]
}