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{
"id": "mp-4247",
"created_at": "2022-09-04T14:39:58.379969Z",
"structure_string": "Na2 Zn2 Sb2\n1.0\n4.461334 0.000000 0.000000\n0.000000 4.461334 0.000000\n0.000000 0.000000 7.555227\nNa Zn Sb\n2 2 2\ndirect\n0.000000 0.500000 0.344884 Na\n0.500000 0.000000 0.655116 Na\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.223225 Sb\n0.000000 0.500000 0.776775 Sb\n",
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{
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"structure_string": "Cr1 Pt1\n1.0\n4.425295 -1.352877 0.000000\n4.425295 1.352877 0.000000\n4.011700 0.000000 2.306463\nCr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pt\n",
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"updated_at": "2021-11-28T01:38:03.099000Z",
"spacegroup": 166
},
{
"id": "mp-977546",
"created_at": "2022-09-04T14:45:14.444399Z",
"structure_string": "Pm2 Zn1 Ga1\n1.0\n0.000000 3.674215 3.674215\n3.674215 0.000000 3.674215\n3.674215 3.674215 0.000000\nPm Zn Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Pm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Pm-Zn",
"density": 7.116217282722454,
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"volume": 99.20274584304376,
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"formula_full": "Pm2 Zn1 Ga1",
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"spacegroup": 225
},
{
"id": "mp-1186263",
"created_at": "2022-09-04T14:44:09.658022Z",
"structure_string": "Nd3 Cd1\n1.0\n-2.477070 2.477070 5.081011\n2.477070 -2.477070 5.081011\n2.477071 2.477070 -5.081011\nNd Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Nd\n0.250000 0.750000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 7.258852707507594,
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"volume": 124.70583460288196,
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"formula_full": "Nd3 Cd1",
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"spacegroup": 139
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{
"id": "mp-1207271",
"created_at": "2022-09-04T14:47:12.568640Z",
"structure_string": "Sr2 I2 F1\n1.0\n5.347651 0.000000 0.000000\n0.000000 5.347651 0.000000\n0.000000 0.000000 14.943593\nSr I F\n2 2 1\ndirect\n0.500000 0.500000 0.154023 Sr\n0.500000 0.500000 0.845977 Sr\n0.500000 0.500000 0.649131 I\n0.500000 0.500000 0.350869 I\n0.500000 0.500000 0.000000 F\n",
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"elements": [
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"chemical_system": "F-I-Sr",
"density": 1.740972295956193,
"density_atomic": 0.011700080793082306,
"volume": 427.34747634873247,
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"formula_full": "Sr2 I2 F1",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:37:58.837000Z",
"spacegroup": 123
},
{
"id": "mp-862493",
"created_at": "2022-09-04T14:40:26.598433Z",
"structure_string": "Li1 Er2 Al1\n1.0\n0.000000 3.609218 3.609218\n3.609218 0.000000 3.609218\n3.609218 3.609218 0.000000\nLi Er Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Er-Li",
"density": 6.506495989326967,
"density_atomic": 0.04253933062255412,
"volume": 94.03062863145341,
"volume_molar": 14.156642034247465,
"formula_full": "Li1 Er2 Al1",
"formula_reduced": "LiEr2Al",
"formula_anonymous": "ABC2",
"energy": -15.62229883,
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"updated_at": "2021-11-28T01:34:48.535000Z",
"spacegroup": 225
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{
"id": "mp-1225483",
"created_at": "2022-09-04T14:46:41.340797Z",
"structure_string": "Er1 In2 Sn1\n1.0\n4.602310 0.000000 0.000000\n0.000000 4.602310 0.000000\n0.000000 0.000000 4.744509\nEr In Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 8.519678496193054,
"density_atomic": 0.03980310753522576,
"volume": 100.49466606244248,
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"formula_full": "Er1 In2 Sn1",
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"updated_at": "2021-11-28T01:37:44.880000Z",
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{
"id": "mp-1093629",
"created_at": "2022-09-04T14:47:59.727004Z",
"structure_string": "Mn1 Al2 Fe1\n1.0\n-5.021962 5.505678 7.706126\n5.021962 -5.505678 7.706126\n5.021962 5.505678 -7.706126\nMn Al Fe\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.257158 0.257158 Al\n0.000000 0.742842 0.742842 Al\n0.000000 0.500000 0.500000 Fe\n",
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"density": 0.3209844333555849,
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"volume": 852.2761341541475,
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"formula_full": "Mn1 Al2 Fe1",
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"updated_at": "2021-11-28T01:38:25.148000Z",
"spacegroup": 71
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{
"id": "mp-1206924",
"created_at": "2022-09-04T14:39:58.532588Z",
"structure_string": "Ba1 Zn2 Ge2\n1.0\n-2.289810 2.289810 5.349431\n2.289810 -2.289810 5.349431\n2.289810 2.289810 -5.349431\nBa Zn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.376132 0.376132 0.000000 Ge\n0.623868 0.623868 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:39:05.913938Z",
"structure_string": "Be1 Pd2\n1.0\n-1.386777 1.386777 4.964592\n1.386777 -1.386777 4.964592\n1.386777 1.386777 -4.964592\nBe Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.356659 0.356659 0.000000 Pd\n0.643341 0.643341 0.000000 Pd\n",
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{
"id": "mp-1096111",
"created_at": "2022-09-04T14:39:33.922026Z",
"structure_string": "Sc1 Mn1 Au2\n1.0\n-5.437330 6.240975 8.540093\n5.437330 -6.240975 8.540093\n5.437330 6.240975 -8.540093\nSc Mn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Mn\n0.000000 0.250642 0.250642 Au\n0.000000 0.749358 0.749358 Au\n",
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"density": 0.7073971180954717,
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"volume": 1159.206282322482,
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"formula_full": "Sc1 Mn1 Au2",
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"updated_at": "2021-11-28T01:34:35.779000Z",
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}
]
}