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{
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{
"id": "mp-573691",
"created_at": "2022-09-04T14:41:12.425213Z",
"structure_string": "K8\n1.0\n4.480404 -7.407795 0.000000\n4.480404 7.407795 0.000000\n0.000000 0.000000 8.914782\nK\n8\ndirect\n0.778657 0.221343 0.000000 K\n0.721343 0.278657 0.500000 K\n0.681016 0.681016 0.180153 K\n0.278657 0.721343 0.500000 K\n0.181016 0.181016 0.319847 K\n0.818984 0.818984 0.680153 K\n0.221343 0.778657 0.000000 K\n0.318984 0.318984 0.819847 K\n",
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{
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"structure_string": "Na12 Hg8\n1.0\n9.067734 0.000000 0.000000\n0.000000 9.067734 0.000000\n0.000000 0.000000 7.069807\nNa Hg\n12 8\ndirect\n0.642334 0.642334 0.000000 Na\n0.182767 0.817233 0.000000 Na\n0.357666 0.357666 0.000000 Na\n0.857666 0.142334 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.682767 0.682767 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.142334 0.857666 0.500000 Na\n0.317233 0.317233 0.500000 Na\n0.817233 0.182767 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.130351 0.130351 0.788400 Hg\n0.630351 0.369649 0.711600 Hg\n0.130351 0.130351 0.211600 Hg\n0.630351 0.369649 0.288400 Hg\n0.869649 0.869649 0.211600 Hg\n0.369649 0.630351 0.288400 Hg\n0.369649 0.630351 0.711600 Hg\n0.869649 0.869649 0.788400 Hg\n",
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"formula_full": "Na12 Hg8",
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"updated_at": "2021-11-28T01:35:32.472000Z",
"spacegroup": 136
},
{
"id": "mp-975857",
"created_at": "2022-09-04T14:40:04.951949Z",
"structure_string": "K6 Mg2\n1.0\n4.317875 -7.478778 0.000000\n4.317875 7.478778 0.000000\n0.000000 0.000000 6.815802\nK Mg\n6 2\ndirect\n0.175128 0.350256 0.250000 K\n0.175128 0.824872 0.250000 K\n0.649744 0.824872 0.250000 K\n0.350256 0.175128 0.750000 K\n0.824872 0.175128 0.750000 K\n0.824872 0.649744 0.750000 K\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
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"density": 1.0683028107981807,
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"formula_full": "K6 Mg2",
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"updated_at": "2021-11-28T01:34:45.544000Z",
"spacegroup": 194
},
{
"id": "mp-1184849",
"created_at": "2022-09-04T14:44:55.324994Z",
"structure_string": "K3 Mg1\n1.0\n6.025418 0.000000 0.000000\n0.000000 6.025418 0.000000\n0.000000 0.000000 6.025418\nK Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.0748565382913993,
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"volume": 218.75678976695937,
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"spacegroup": 221
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{
"id": "mp-1097433",
"created_at": "2022-09-04T14:43:19.345301Z",
"structure_string": "Mg1 Ag2 Hg1\n1.0\n-5.461728 5.809668 8.215810\n5.461728 -5.809668 8.215810\n5.461728 5.809668 -8.215810\nMg Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.236808 0.236808 Ag\n0.000000 0.763192 0.763192 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.7016697897486303,
"density_atomic": 0.0038359084190242618,
"volume": 1042.777762931441,
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"formula_full": "Mg1 Ag2 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 71
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{
"id": "mp-973166",
"created_at": "2022-09-04T14:45:37.684589Z",
"structure_string": "Na2 Cd6\n1.0\n3.238995 -5.610104 0.000000\n3.238995 5.610104 0.000000\n0.000000 0.000000 5.263055\nNa Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.165464 0.330928 0.250000 Cd\n0.669072 0.834536 0.250000 Cd\n0.165464 0.834536 0.250000 Cd\n0.834536 0.669072 0.750000 Cd\n0.330928 0.165464 0.750000 Cd\n0.834536 0.165464 0.750000 Cd\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Cd-Na",
"density": 6.254623319325292,
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"volume": 191.27098484735106,
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"formula_full": "Na2 Cd6",
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"updated_at": "2021-11-28T01:37:06.995000Z",
"spacegroup": 194
},
{
"id": "mp-981387",
"created_at": "2022-09-04T14:47:34.124697Z",
"structure_string": "Hg3 Bi1\n1.0\n4.759273 0.000000 0.000000\n0.000000 4.759273 0.000000\n0.000000 0.000000 4.759273\nHg Bi\n3 1\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Bi"
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"chemical_system": "Bi-Hg",
"density": 12.488619013699696,
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"volume": 107.80076732140991,
"volume_molar": 16.229784871138467,
"formula_full": "Hg3 Bi1",
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"updated_at": "2021-11-28T01:38:14.770000Z",
"spacegroup": 221
},
{
"id": "mp-1228314",
"created_at": "2022-09-04T14:39:34.421494Z",
"structure_string": "Ba6 Zn2 Hg20\n1.0\n0.000000 0.000000 6.271955\n7.426115 0.000000 0.000000\n0.000000 17.679192 0.000000\nBa Zn Hg\n6 2 20\ndirect\n0.456280 0.750000 0.750000 Ba\n0.545985 0.250000 0.250000 Ba\n0.822824 0.750000 0.070938 Ba\n0.822824 0.750000 0.429062 Ba\n0.175422 0.250000 0.932581 Ba\n0.175422 0.250000 0.567419 Ba\n0.026001 0.250000 0.360735 Zn\n0.026001 0.250000 0.139265 Zn\n0.357255 0.750000 0.542936 Hg\n0.357255 0.750000 0.957064 Hg\n0.670271 0.250000 0.449211 Hg\n0.670271 0.250000 0.050789 Hg\n0.660525 0.040435 0.601872 Hg\n0.660525 0.459565 0.601872 Hg\n0.660525 0.040435 0.898128 Hg\n0.660525 0.459565 0.898128 Hg\n0.325507 0.972915 0.396157 Hg\n0.325507 0.527085 0.396157 Hg\n0.325507 0.972915 0.103843 Hg\n0.325507 0.527085 0.103843 Hg\n0.983249 0.053580 0.750000 Hg\n0.983249 0.446420 0.750000 Hg\n0.014916 0.961639 0.250000 Hg\n0.014916 0.538361 0.250000 Hg\n0.520184 0.750000 0.250000 Hg\n0.477065 0.250000 0.750000 Hg\n0.978242 0.750000 0.636735 Hg\n0.978242 0.750000 0.863265 Hg\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Zn",
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],
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"density": 10.015658688669541,
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"volume": 823.4306273559495,
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"formula_full": "Ba6 Zn2 Hg20",
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"formula_anonymous": "AB3C10",
"energy": -30.3726523,
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"spacegroup": 25
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{
"id": "mp-1096602",
"created_at": "2022-09-04T14:48:02.835122Z",
"structure_string": "Sr2 Cd1 Ge1\n1.0\n-6.529242 6.716099 9.486705\n6.529242 -6.716099 9.486705\n6.529242 6.716099 -9.486705\nSr Cd Ge\n2 1 1\ndirect\n0.000000 0.226546 0.226546 Sr\n0.000000 0.773454 0.773453 Sr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"volume": 1664.0073572676351,
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"formula_full": "Sr2 Cd1 Ge1",
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{
"id": "mp-1184862",
"created_at": "2022-09-04T14:39:14.956393Z",
"structure_string": "K3 Mg1\n1.0\n0.000000 4.767269 4.767269\n4.767269 0.000000 4.767269\n4.767269 4.767269 0.000000\nK Mg\n3 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Mg\n",
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{
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"structure_string": "K3\n1.0\n11.247526 -2.394394 0.000000\n11.247526 2.394394 0.000000\n10.737803 0.000000 4.115769\nK\n3\ndirect\n0.000000 0.000000 0.000000 K\n0.777748 0.777748 0.777748 K\n0.222252 0.222252 0.222252 K\n",
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"spacegroup": 166
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{
"id": "mp-1186127",
"created_at": "2022-09-04T14:40:12.285758Z",
"structure_string": "Na1 Cd3\n1.0\n-2.294658 2.294658 4.520401\n2.294658 -2.294658 4.520401\n2.294658 2.294658 -4.520401\nNa Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n",
"nsites": 4,
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}
]
}