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{
"id": "mp-1096634",
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"structure_string": "Li2 Cd1 Pt1\n1.0\n-4.774296 5.411438 6.619984\n4.774296 -5.411438 6.619984\n4.774296 5.411438 -6.619984\nLi Cd Pt\n2 1 1\ndirect\n0.711457 0.000000 0.711457 Li\n0.288543 0.000000 0.288543 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Pt\n",
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{
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"structure_string": "Ca1 Br1\n1.0\n1.958511 -3.392241 0.000000\n1.958511 3.392241 0.000000\n0.000000 0.000000 4.341034\nCa Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.500000 Br\n",
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"spacegroup": 187
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{
"id": "mp-1096607",
"created_at": "2022-09-04T14:39:11.634538Z",
"structure_string": "Zn2 Cu1 Pd1\n1.0\n-4.764092 4.900938 6.916237\n4.764092 -4.900938 6.916237\n4.764092 4.900938 -6.916237\nZn Cu Pd\n2 1 1\ndirect\n0.000000 0.247263 0.247263 Zn\n0.000000 0.752737 0.752737 Zn\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"volume": 645.9355783506438,
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"formula_full": "Zn2 Cu1 Pd1",
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"updated_at": "2021-11-28T01:34:32.174000Z",
"spacegroup": 71
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{
"id": "mp-973343",
"created_at": "2022-09-04T14:45:16.639241Z",
"structure_string": "Li2 Mg1 Hg1\n1.0\n0.000000 3.310130 3.310130\n3.310130 0.000000 3.310130\n3.310130 3.310130 0.000000\nLi Mg Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 5.466085772310902,
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"volume": 72.5379280936384,
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"formula_full": "Li2 Mg1 Hg1",
"formula_reduced": "Li2MgHg",
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{
"id": "mp-1215449",
"created_at": "2022-09-04T14:44:28.429215Z",
"structure_string": "Yb1 Zn1 In1\n1.0\n2.371832 -4.108133 0.000000\n2.371832 4.108133 0.000000\n0.000000 0.000000 3.669290\nYb Zn In\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Yb\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.500000 In\n",
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"elements": [
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"density_atomic": 0.04195471760997048,
"volume": 71.50566541501532,
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"formula_full": "Yb1 Zn1 In1",
"formula_reduced": "YbZnIn",
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"updated_at": "2021-11-28T01:36:42.645000Z",
"spacegroup": 187
},
{
"id": "mp-1093705",
"created_at": "2022-09-04T14:42:47.106344Z",
"structure_string": "K2 Hg1 Se1\n1.0\n-6.365558 6.783296 7.330611\n6.365558 -6.783296 7.330611\n6.365558 6.783296 -7.330611\nK Hg Se\n2 1 1\ndirect\n0.209359 0.000000 0.209359 K\n0.790641 0.000000 0.790641 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"density": 0.46918832695965723,
"density_atomic": 0.003159239695221587,
"volume": 1266.127418584313,
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"formula_full": "K2 Hg1 Se1",
"formula_reduced": "K2HgSe",
"formula_anonymous": "ABC2",
"energy": -6.7494384400000005,
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"total_magnetization": 2.6e-06,
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"updated_at": "2021-11-28T01:35:50.179000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
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"density": 0.5045248033157863,
"density_atomic": 0.003576681479880584,
"volume": 1118.3551072413497,
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"formula_full": "Li2 Sn1 Pb1",
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"updated_at": "2021-11-28T01:36:09.885000Z",
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{
"id": "mp-1183204",
"created_at": "2022-09-04T14:42:52.006235Z",
"structure_string": "Ba2 Cd1 Hg1\n1.0\n0.000000 4.251412 4.251412\n4.251412 0.000000 4.251412\n4.251412 4.251412 0.000000\nBa Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
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"volume": 153.68432634610235,
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"updated_at": "2021-11-28T01:35:58.200000Z",
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{
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"structure_string": "O2\n1.0\n0.766099 -2.307710 0.000000\n0.766099 2.307710 0.000000\n0.000000 0.000000 5.701631\nO\n2\ndirect\n0.166302 0.833698 0.250000 O\n0.833698 0.166302 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:46:25.275411Z",
"structure_string": "Bi1 Au1\n1.0\n2.200952 1.259039 1.832285\n-2.200952 1.259039 1.832285\n0.000000 -4.606929 3.366631\nBi Au\n1 1\ndirect\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "La1 Mg1\n1.0\n3.966144 0.000000 0.000000\n0.000000 3.966144 0.000000\n0.000000 0.000000 3.966144\nLa Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n",
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