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{
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{
"id": "mp-1096179",
"created_at": "2022-09-04T14:43:16.317071Z",
"structure_string": "Ca1 Y1 Mg2\n1.0\n-6.543658 6.635724 9.255505\n6.543658 -6.635724 9.255505\n6.543658 6.635724 -9.255505\nCa Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Y\n0.259028 0.000000 0.259028 Mg\n0.740972 0.000000 0.740972 Mg\n",
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{
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"updated_at": "2021-11-28T01:35:55.766000Z",
"spacegroup": 139
},
{
"id": "mp-1096476",
"created_at": "2022-09-04T14:42:17.073462Z",
"structure_string": "Li1 La2 Cd1\n1.0\n-6.386890 6.444691 9.114178\n6.386890 -6.444691 9.114178\n6.386890 6.444691 -9.114178\nLi La Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251111 0.251111 La\n0.000000 0.748889 0.748889 La\n0.000000 0.500000 0.500000 Cd\n",
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"elements": [
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"chemical_system": "Cd-La-Li",
"density": 0.43948978082534984,
"density_atomic": 0.0026655753163942622,
"volume": 1500.6141358672323,
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"formula_full": "Li1 La2 Cd1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.376000Z",
"spacegroup": 71
},
{
"id": "mp-1186861",
"created_at": "2022-09-04T14:46:37.974524Z",
"structure_string": "Rb6 Na2\n1.0\n4.737427 -8.205465 0.000000\n4.737427 8.205465 0.000000\n0.000000 0.000000 7.532543\nRb Na\n6 2\ndirect\n0.827089 0.172911 0.750000 Rb\n0.345822 0.172911 0.750000 Rb\n0.827089 0.654178 0.750000 Rb\n0.172911 0.827089 0.250000 Rb\n0.654178 0.827089 0.250000 Rb\n0.172911 0.345822 0.250000 Rb\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
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],
"chemical_system": "Na-Rb",
"density": 1.584446333115214,
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"volume": 585.6219460818949,
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"formula_full": "Rb6 Na2",
"formula_reduced": "Rb3Na",
"formula_anonymous": "AB3",
"energy": -8.2110832,
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"updated_at": "2021-11-28T01:37:40.691000Z",
"spacegroup": 194
},
{
"id": "mp-1185543",
"created_at": "2022-09-04T14:41:21.976614Z",
"structure_string": "Cs1 K3\n1.0\n6.936616 0.000000 0.000000\n0.000000 6.936616 0.000000\n0.000000 0.000000 6.936616\nCs K\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
"nsites": 4,
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"elements": [
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"density": 1.2447841613181845,
"density_atomic": 0.011984420295081451,
"volume": 333.76666551336217,
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"formula_full": "Cs1 K3",
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"energy_uncorrected": -4.10460446,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:13.684000Z",
"spacegroup": 221
},
{
"id": "mp-1039011",
"created_at": "2022-09-04T14:42:58.690668Z",
"structure_string": "Mg1 Cd5\n1.0\n1.554450 -2.692387 0.000000\n1.554450 2.692387 0.000000\n0.000000 0.000000 16.276953\nMg Cd\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.835326 Cd\n0.000000 0.000000 0.667034 Cd\n0.666667 0.333333 0.500000 Cd\n0.000000 0.000000 0.332966 Cd\n0.666667 0.333333 0.164674 Cd\n",
"nsites": 6,
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"elements": [
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"Cd"
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"chemical_system": "Cd-Mg",
"density": 7.146544237789538,
"density_atomic": 0.044038640455428414,
"volume": 136.24398796035973,
"volume_molar": 13.674674553350526,
"formula_full": "Mg1 Cd5",
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"formula_anonymous": "AB5",
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"total_magnetization": 0.0006107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.504000Z",
"spacegroup": 187
},
{
"id": "mp-973461",
"created_at": "2022-09-04T14:47:29.126205Z",
"structure_string": "Hg3 C1\n1.0\n-2.150801 2.150801 4.275035\n2.150801 -2.150801 4.275035\n2.150801 2.150801 -4.275035\nHg C\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
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"elements": [
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"C"
],
"chemical_system": "C-Hg",
"density": 12.884340695092613,
"density_atomic": 0.05056614735032095,
"volume": 79.10430613366891,
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"formula_full": "Hg3 C1",
"formula_reduced": "Hg3C",
"formula_anonymous": "AB3",
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"energy_uncorrected": -4.09831965,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.985000Z",
"spacegroup": 139
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{
"id": "mp-1094301",
"created_at": "2022-09-04T14:45:28.494517Z",
"structure_string": "Sr2 Mg4\n1.0\n6.813098 0.000000 0.000000\n0.000000 6.813098 0.000000\n0.000000 0.000000 6.438142\nSr Mg\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.347678 0.347678 0.000000 Mg\n0.652322 0.652322 0.000000 Mg\n0.152322 0.847678 0.500000 Mg\n0.847678 0.152322 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Sr",
"density": 1.5139168637143985,
"density_atomic": 0.020077120579996673,
"volume": 298.8476348534733,
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"formula_full": "Sr2 Mg4",
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"energy": -6.144665120000001,
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"updated_at": "2021-11-28T01:37:06.528000Z",
"spacegroup": 136
},
{
"id": "mp-974883",
"created_at": "2022-09-04T14:48:05.314835Z",
"structure_string": "Rb3 Na1\n1.0\n0.000000 5.274499 5.274499\n5.274499 0.000000 5.274499\n5.274499 5.274499 0.000000\nRb Na\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Na-Rb",
"density": 1.5808521088622727,
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"volume": 293.47670786518006,
"volume_molar": 44.18395111363783,
"formula_full": "Rb3 Na1",
"formula_reduced": "Rb3Na",
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"updated_at": "2021-11-28T01:38:30.027000Z",
"spacegroup": 225
},
{
"id": "mp-1186873",
"created_at": "2022-09-04T14:41:50.878258Z",
"structure_string": "Rb3 Sr1\n1.0\n0.000000 5.440288 5.440288\n5.440288 0.000000 5.440288\n5.440288 5.440288 0.000000\nRb Sr\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
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"elements": [
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"density": 1.7739501522002774,
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"volume": 322.0295084481399,
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"formula_full": "Rb3 Sr1",
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"updated_at": "2021-11-28T01:35:28.314000Z",
"spacegroup": 225
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{
"id": "mp-1183958",
"created_at": "2022-09-04T14:40:40.211181Z",
"structure_string": "Cs1 K3\n1.0\n-3.383279 3.383279 7.242235\n3.383279 -3.383279 7.242235\n3.383279 3.383279 -7.242235\nCs K\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
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"updated_at": "2021-11-28T01:35:05.263000Z",
"spacegroup": 139
},
{
"id": "mp-974866",
"created_at": "2022-09-04T14:43:57.074002Z",
"structure_string": "Rb3 Na1\n1.0\n6.670897 0.000000 0.000000\n0.000000 6.670897 0.000000\n0.000000 0.000000 6.670897\nRb Na\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 Na\n",
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"volume": 296.86069873084784,
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"formula_full": "Rb3 Na1",
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"energy": -4.08972555,
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"updated_at": "2021-11-28T01:36:23.418000Z",
"spacegroup": 221
}
]
}