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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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{
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"spacegroup": 221
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{
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"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",
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"density": 3.0275080737565454,
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"formula_full": "Cs3 Ni1",
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"updated_at": "2021-11-28T01:37:39.932000Z",
"spacegroup": 139
},
{
"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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"formula_full": "Rb3 Ce1",
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"updated_at": "2021-11-28T01:34:43.569000Z",
"spacegroup": 221
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{
"id": "mp-23231",
"created_at": "2022-09-04T14:42:48.448871Z",
"structure_string": "Ag1 Br1\n1.0\n0.000000 2.925814 2.925814\n2.925814 0.000000 2.925814\n2.925814 2.925814 0.000000\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"density": 6.224582901346875,
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"formula_full": "Ag1 Br1",
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"updated_at": "2021-11-28T01:35:52.807000Z",
"spacegroup": 225
},
{
"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",
"nsites": 4,
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"elements": [
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"density": 0.7065790968725209,
"density_atomic": 0.002903184555073442,
"volume": 1377.797354635903,
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"formula_full": "La2 Ag1 Hg1",
"formula_reduced": "La2AgHg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:39:07.315000Z",
"spacegroup": 71
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{
"id": "mp-1039123",
"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",
"nsites": 4,
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"elements": [
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"density": 2.414982526000319,
"density_atomic": 0.027573757353114892,
"volume": 145.06546745788842,
"volume_molar": 21.840116611165087,
"formula_full": "Ca2 Zn2",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -5.66712552,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:56.739000Z",
"spacegroup": 194
},
{
"id": "mp-1097503",
"created_at": "2022-09-04T14:42:01.806422Z",
"structure_string": "Ca2 Tl1 Sn1\n1.0\n-6.201427 6.704326 9.461468\n6.201427 -6.704326 9.461468\n6.201427 6.704326 -9.461468\nCa Tl Sn\n2 1 1\ndirect\n0.000000 0.243827 0.243827 Ca\n0.000000 0.756173 0.756173 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"Tl",
"Sn"
],
"chemical_system": "Ca-Sn-Tl",
"density": 0.4255567111234998,
"density_atomic": 0.0025421122036755027,
"volume": 1573.494668809904,
"volume_molar": 236.8951595170706,
"formula_full": "Ca2 Tl1 Sn1",
"formula_reduced": "Ca2TlSn",
"formula_anonymous": "ABC2",
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{
"id": "mp-1226933",
"created_at": "2022-09-04T14:40:13.437364Z",
"structure_string": "Cd3 Ag1\n1.0\n1.589430 -2.752973 0.000000\n1.589430 2.752973 0.000000\n0.000000 0.000000 9.646080\nCd Ag\n3 1\ndirect\n0.333333 0.666667 0.500000 Cd\n0.000000 0.000000 0.239696 Cd\n0.000000 0.000000 0.760304 Cd\n0.333333 0.666667 0.000000 Ag\n",
"nsites": 4,
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"density": 8.755554376126348,
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"volume": 84.41589183728394,
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"formula_full": "Cd3 Ag1",
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{
"id": "mp-1063005",
"created_at": "2022-09-04T14:44:13.134269Z",
"structure_string": "Li3\n1.0\n2.452644 -4.248104 0.000000\n2.452644 4.248104 0.000000\n0.000000 0.000000 2.889208\nLi\n3\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n",
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{
"id": "mp-1039305",
"created_at": "2022-09-04T14:41:22.594112Z",
"structure_string": "Mg1 Bi1\n1.0\n4.391520 -1.957504 0.000000\n4.391520 1.957504 0.000000\n3.518970 0.000000 3.276297\nMg Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "mp-1184851",
"created_at": "2022-09-04T14:48:13.020258Z",
"structure_string": "K3 Ga1\n1.0\n0.000000 4.533517 4.533517\n4.533517 0.000000 4.533517\n4.533517 4.533517 0.000000\nK Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n",
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"formula_full": "K3 Ga1",
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"updated_at": "2021-11-28T01:38:32.301000Z",
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}