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{
"id": "mp-1097424",
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{
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{
"id": "mp-1059357",
"created_at": "2022-09-04T14:42:53.177443Z",
"structure_string": "Na1 Se1\n1.0\n0.000000 2.993261 2.993261\n2.993261 0.000000 2.993261\n2.993261 2.993261 0.000000\nNa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Se\n",
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"updated_at": "2021-11-28T01:35:57.554000Z",
"spacegroup": 225
},
{
"id": "mp-865814",
"created_at": "2022-09-04T14:41:07.922965Z",
"structure_string": "Yb1 Mg1 Hg2\n1.0\n0.000000 3.614938 3.614938\n3.614938 0.000000 3.614938\n3.614938 3.614938 0.000000\nYb Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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],
"chemical_system": "Hg-Mg-Yb",
"density": 10.519590588603611,
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"volume": 94.47840545367588,
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"formula_full": "Yb1 Mg1 Hg2",
"formula_reduced": "YbMgHg2",
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"updated_at": "2021-11-28T01:35:15.766000Z",
"spacegroup": 225
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{
"id": "mp-1205873",
"created_at": "2022-09-04T14:42:08.274408Z",
"structure_string": "Mg2 Hg6\n1.0\n2.540731 -4.400675 0.000000\n2.540731 4.400675 0.000000\n0.000000 0.000000 9.066713\nMg Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.573997 Hg\n0.666667 0.333333 0.426003 Hg\n0.666667 0.333333 0.073997 Hg\n0.333333 0.666667 0.926003 Hg\n0.000000 0.000000 0.250000 Hg\n0.000000 0.000000 0.750000 Hg\n",
"nsites": 8,
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"volume": 202.74859203374913,
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"formula_full": "Mg2 Hg6",
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"updated_at": "2021-11-28T01:35:45.202000Z",
"spacegroup": 194
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{
"id": "mp-1095849",
"created_at": "2022-09-04T14:46:30.081830Z",
"structure_string": "La1 Y1 Zn2\n1.0\n-5.903820 5.986498 8.378115\n5.903820 -5.986498 8.378115\n5.903820 5.986498 -8.378115\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.752682 0.000000 0.752682 Zn\n0.247318 0.000000 0.247318 Zn\n",
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"density": 0.5027853697268098,
"density_atomic": 0.0033771296441795105,
"volume": 1184.4377982035744,
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"formula_full": "La1 Y1 Zn2",
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"updated_at": "2021-11-28T01:37:35.617000Z",
"spacegroup": 71
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{
"id": "mp-2691",
"created_at": "2022-09-04T14:40:08.006036Z",
"structure_string": "Cd1 Se1\n1.0\n0.000000 3.106417 3.106417\n3.106417 0.000000 3.106417\n3.106417 3.106417 0.000000\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Se\n",
"nsites": 2,
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"elements": [
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"density": 5.300489339037397,
"density_atomic": 0.03335959252717866,
"volume": 59.952770657212426,
"volume_molar": 18.05220119248655,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy": -6.130016,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:46.924000Z",
"spacegroup": 216
},
{
"id": "mp-1184834",
"created_at": "2022-09-04T14:41:46.473565Z",
"structure_string": "K3 Ga1\n1.0\n5.723655 0.000000 0.000000\n0.000000 5.723655 0.000000\n0.000000 0.000000 5.723655\nK Ga\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ga\n",
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"elements": [
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"density": 1.65619675240348,
"density_atomic": 0.02133239646616794,
"volume": 187.50823454569624,
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"formula_full": "K3 Ga1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:23.166000Z",
"spacegroup": 221
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{
"id": "mp-985605",
"created_at": "2022-09-04T14:46:36.472400Z",
"structure_string": "Cs3 Ni1\n1.0\n-3.218144 3.218144 6.056173\n3.218144 -3.218144 6.056173\n3.218144 3.218144 -6.056173\nCs Ni\n3 1\ndirect\n0.750000 0.250000 0.500000 Cs\n0.250000 0.750000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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"density": 3.0275080737565454,
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"volume": 250.8818309578818,
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"formula_full": "Cs3 Ni1",
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"updated_at": "2021-11-28T01:37:39.932000Z",
"spacegroup": 139
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{
"id": "mp-1186965",
"created_at": "2022-09-04T14:39:47.460516Z",
"structure_string": "Rb3 Ce1\n1.0\n7.475373 0.000000 0.000000\n0.000000 7.475373 0.000000\n0.000000 0.000000 7.475373\nRb Ce\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 4,
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"elements": [
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"density": 1.5762131085807403,
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"volume": 417.73282481939475,
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{
"id": "mp-1093723",
"created_at": "2022-09-04T14:48:20.219905Z",
"structure_string": "La2 Ag1 Hg1\n1.0\n-6.148755 6.256911 8.953198\n6.148755 -6.256911 8.953198\n6.148755 6.256911 -8.953198\nLa Ag Hg\n2 1 1\ndirect\n0.000000 0.250190 0.250190 La\n0.000000 0.749810 0.749810 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
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"volume": 1377.797354635903,
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"updated_at": "2021-11-28T01:39:07.315000Z",
"spacegroup": 71
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{
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"created_at": "2022-09-04T14:40:14.610031Z",
"structure_string": "Ca2 Zn2\n1.0\n2.596923 -4.498003 0.000000\n2.596923 4.498003 0.000000\n0.000000 0.000000 6.209480\nCa Zn\n2 2\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n",
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"updated_at": "2021-11-28T01:34:56.739000Z",
"spacegroup": 194
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]
}