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{
"id": "mp-1186883",
"created_at": "2022-09-04T14:40:32.465603Z",
"structure_string": "Rb3 Y1\n1.0\n-3.148135 3.148135 6.689714\n3.148135 -3.148135 6.689714\n3.148135 3.148135 -6.689714\nRb Y\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Y\n",
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{
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{
"id": "mp-1039175",
"created_at": "2022-09-04T14:41:12.305651Z",
"structure_string": "Mg2 Cd4\n1.0\n1.560386 -2.702668 0.000000\n1.560386 2.702668 0.000000\n0.000000 0.000000 15.959181\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.166253 Mg\n0.000000 0.000000 0.833747 Mg\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.330833 Cd\n0.666667 0.333333 0.000000 Cd\n0.666667 0.333333 0.669167 Cd\n",
"nsites": 6,
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"elements": [
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"density": 6.146594326837088,
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"volume": 134.60628570805065,
"volume_molar": 13.51029999524429,
"formula_full": "Mg2 Cd4",
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"total_magnetization": 3.38e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.853000Z",
"spacegroup": 187
},
{
"id": "mp-1183665",
"created_at": "2022-09-04T14:41:03.508951Z",
"structure_string": "Cd3 Se1\n1.0\n-2.040953 2.040953 6.087080\n2.040953 -2.040953 6.087080\n2.040953 2.040953 -6.087080\nCd Se\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Se",
"density": 6.814105615987865,
"density_atomic": 0.039438917220776346,
"volume": 101.42266273712016,
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"formula_full": "Cd3 Se1",
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"formula_anonymous": "AB3",
"energy": -6.94231396,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:10.160000Z",
"spacegroup": 139
},
{
"id": "mp-1097475",
"created_at": "2022-09-04T14:48:22.236319Z",
"structure_string": "Sr2 Ag1 Bi1\n1.0\n-6.131478 6.812344 9.654843\n6.131478 -6.812344 9.654843\n6.131478 6.812344 -9.654843\nSr Ag Bi\n2 1 1\ndirect\n0.000000 0.257580 0.257580 Sr\n0.000000 0.742420 0.742420 Sr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Bi-Sr",
"density": 0.506553650687674,
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"volume": 1613.121025619299,
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"formula_full": "Sr2 Ag1 Bi1",
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"updated_at": "2021-11-28T01:39:17.856000Z",
"spacegroup": 71
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{
"id": "mp-1093647",
"created_at": "2022-09-04T14:42:55.929119Z",
"structure_string": "Mg1 Zn1 Ni2\n1.0\n-4.742909 4.773068 6.887944\n4.742909 -4.773068 6.887944\n4.742909 4.773068 -6.887944\nMg Zn Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n0.743787 0.000000 0.743787 Ni\n0.256213 0.000000 0.256213 Ni\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ni"
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"chemical_system": "Mg-Ni-Zn",
"density": 0.551364577449523,
"density_atomic": 0.006413099508309784,
"volume": 623.7233641575331,
"volume_molar": 93.90374735643508,
"formula_full": "Mg1 Zn1 Ni2",
"formula_reduced": "MgZnNi2",
"formula_anonymous": "ABC2",
"energy": -6.94591565,
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"energy_uncorrected": -6.94591565,
"band_gap": 0.0007000000000001,
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"updated_at": "2021-11-28T01:35:57.896000Z",
"spacegroup": 71
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{
"id": "mp-1097339",
"created_at": "2022-09-04T14:47:17.017798Z",
"structure_string": "Cd1 In2 Bi1\n1.0\n-5.712744 6.150606 8.683020\n5.712744 -6.150606 8.683020\n5.712744 6.150606 -8.683020\nCd In Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.257404 0.257404 In\n0.000000 0.742596 0.742596 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"In",
"Bi"
],
"chemical_system": "Bi-Cd-In",
"density": 0.7497713290808158,
"density_atomic": 0.003277679827244395,
"volume": 1220.3754517911143,
"volume_molar": 183.7318187683671,
"formula_full": "Cd1 In2 Bi1",
"formula_reduced": "CdIn2Bi",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:59.961000Z",
"spacegroup": 71
},
{
"id": "mp-1183324",
"created_at": "2022-09-04T14:43:24.250744Z",
"structure_string": "Ba1 Sr3\n1.0\n0.000000 4.816688 4.816688\n4.816688 0.000000 4.816688\n4.816688 4.816688 0.000000\nBa Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n",
"nsites": 4,
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"elements": [
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"density": 2.9732849371052064,
"density_atomic": 0.017897173488417236,
"volume": 223.49897890796754,
"volume_molar": 33.648557767501295,
"formula_full": "Ba1 Sr3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:18.633000Z",
"spacegroup": 225
},
{
"id": "mp-1222495",
"created_at": "2022-09-04T14:45:58.517815Z",
"structure_string": "Li3 Cd1\n1.0\n9.451747 -1.579242 0.000000\n9.451747 1.579242 0.000000\n9.187880 0.000000 2.722570\nLi Cd\n3 1\ndirect\n0.251164 0.251164 0.251164 Li\n0.500000 0.500000 0.500000 Li\n0.748836 0.748836 0.748836 Li\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Li",
"density": 2.7220389798060305,
"density_atomic": 0.049214170245623814,
"volume": 81.27740404920644,
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"formula_full": "Li3 Cd1",
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"updated_at": "2021-11-28T01:37:11.643000Z",
"spacegroup": 166
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{
"id": "mp-962073",
"created_at": "2022-09-04T14:46:39.469490Z",
"structure_string": "K1 Ba1 Sn1\n1.0\n0.000000 4.036263 4.036263\n4.036263 0.000000 4.036263\n4.036263 4.036263 0.000000\nK Ba Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sn\n",
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"density": 3.726506544638537,
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"volume": 131.51290349612088,
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"updated_at": "2021-11-28T01:37:46.997000Z",
"spacegroup": 216
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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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"updated_at": "2021-11-28T01:34:57.874000Z",
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{
"id": "mp-1187107",
"created_at": "2022-09-04T14:42:17.311727Z",
"structure_string": "Sr3 Ca1\n1.0\n0.000000 4.627973 4.627973\n4.627973 0.000000 4.627973\n4.627973 4.627973 0.000000\nSr Ca\n3 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
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]
}