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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",
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{
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"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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"elements": [
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"density": 0.4339599337071895,
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"volume": 2146.4380128053863,
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"formula_full": "Cd2 C12 O12",
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"spacegroup": 15
},
{
"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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"chemical_system": "Sc-Zn-Zr",
"density": 0.43407005849231683,
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"volume": 1021.403008345199,
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"formula_full": "Zr1 Sc1 Zn2",
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"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",
"nsites": 6,
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"elements": [
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],
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"density": 0.43415067355570836,
"density_atomic": 0.0022087805324061973,
"volume": 2716.4310405541883,
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"formula_full": "Nd2 As3 Au1",
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},
{
"id": "mp-1096166",
"created_at": "2022-09-04T14:47:22.501810Z",
"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",
"nsites": 4,
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"elements": [
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"density": 0.43520494104634705,
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"volume": 587.0584185658138,
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"formula_full": "Be1 Al1 Co2",
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"updated_at": "2021-11-28T01:38:07.653000Z",
"spacegroup": 71
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{
"id": "mp-1097166",
"created_at": "2022-09-04T14:46:35.317995Z",
"structure_string": "Li1 Zn1 Ga2\n1.0\n-5.198101 5.240095 7.403939\n5.198101 -5.240095 7.403939\n5.198101 5.240095 -7.403939\nLi Zn Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zn\n0.000000 0.256056 0.256056 Ga\n0.000000 0.743944 0.743944 Ga\n",
"nsites": 4,
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"density": 0.4359735617271522,
"density_atomic": 0.004958533980371251,
"volume": 806.6900450484591,
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"formula_full": "Li1 Zn1 Ga2",
"formula_reduced": "LiZnGa2",
"formula_anonymous": "ABC2",
"energy": -4.74400916,
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"updated_at": "2021-11-28T01:37:42.328000Z",
"spacegroup": 71
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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",
"nsites": 4,
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"Au"
],
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"density": 0.4365925441758551,
"density_atomic": 0.002745698623657239,
"volume": 1456.824126849015,
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"formula_full": "K2 Ag1 Au1",
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"updated_at": "2021-11-28T01:34:57.874000Z",
"spacegroup": 71
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{
"id": "mp-1093632",
"created_at": "2022-09-04T14:41:12.352633Z",
"structure_string": "Na1 Y2 Pb1\n1.0\n-6.460120 6.518430 9.209344\n6.460120 -6.518430 9.209344\n6.460120 6.518430 -9.209344\nNa Y Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.281179 0.281179 Y\n0.000000 0.718821 0.718821 Y\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.43675566438607505,
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"volume": 1551.2160098071536,
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"formula_full": "Na1 Y2 Pb1",
"formula_reduced": "NaY2Pb",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:18.214000Z",
"spacegroup": 71
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{
"id": "mp-1096352",
"created_at": "2022-09-04T14:46:03.994167Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n-6.716222 7.276144 9.496108\n6.716222 -7.276144 9.496108\n6.716222 7.276144 -9.496108\nSr Cd Hg\n2 1 1\ndirect\n0.251368 0.000000 0.251368 Sr\n0.748632 0.000000 0.748632 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"volume": 1856.2307593899686,
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"formula_full": "Sr2 Cd1 Hg1",
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"spacegroup": 71
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{
"id": "mp-1096037",
"created_at": "2022-09-04T14:43:09.257306Z",
"structure_string": "Ba1 Sr1 In2\n1.0\n-6.694373 6.768286 9.510016\n6.694373 -6.768286 9.510016\n6.694373 6.768286 -9.510016\nBa Sr In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.249711 0.249711 In\n0.000000 0.750289 0.750289 In\n",
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"updated_at": "2021-11-28T01:36:03.071000Z",
"spacegroup": 71
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{
"id": "mp-1095902",
"created_at": "2022-09-04T14:40:27.099596Z",
"structure_string": "Y2 Zn1 Ga1\n1.0\n-5.878138 6.002002 8.393690\n5.878138 -6.002002 8.393690\n5.878138 6.002002 -8.393690\nY Zn Ga\n2 1 1\ndirect\n0.000000 0.258700 0.258700 Y\n0.000000 0.741300 0.741300 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
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"spacegroup": 71
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{
"id": "mp-1096010",
"created_at": "2022-09-04T14:46:41.251232Z",
"structure_string": "Cs2 I1 Br1\n1.0\n-6.743196 6.946807 9.545157\n6.743196 -6.946807 9.545157\n6.743196 6.946807 -9.545157\nCs I Br\n2 1 1\ndirect\n0.758990 0.000000 0.758990 Cs\n0.241010 0.000000 0.241010 Cs\n0.500000 0.000000 0.500000 I\n0.000000 0.000000 0.000000 Br\n",
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"volume": 1788.521165099845,
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"formula_full": "Cs2 I1 Br1",
"formula_reduced": "Cs2IBr",
"formula_anonymous": "ABC2",
"energy": -10.9574046,
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"updated_at": "2021-11-28T01:37:48.284000Z",
"spacegroup": 71
}
]
}