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"results": [
{
"id": "mp-1114114",
"created_at": "2022-09-04T14:45:35.818001Z",
"structure_string": "Rb2 Tl1 Bi1 Br6\n1.0\n0.000000 6.017889 6.017889\n6.017889 0.000000 6.017889\n6.017889 6.017889 0.000000\nRb Tl Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Bi\n0.761495 0.238505 0.238505 Br\n0.238505 0.238505 0.761495 Br\n0.238505 0.761495 0.761495 Br\n0.238505 0.761495 0.238505 Br\n0.761495 0.238505 0.761495 Br\n0.761495 0.761495 0.238505 Br\n",
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{
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"formula_full": "In1 Co3 N1",
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"spacegroup": 221
},
{
"id": "mp-8300",
"created_at": "2022-09-04T14:41:06.312735Z",
"structure_string": "Ba4 As2 O1\n1.0\n-2.613745 2.613745 8.721884\n2.613745 -2.613745 8.721884\n2.613745 2.613745 -8.721884\nBa As O\n4 2 1\ndirect\n0.675939 0.675939 0.000000 Ba\n0.324061 0.324061 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.864323 0.864323 0.000000 As\n0.135677 0.135677 0.000000 As\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
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"elements": [
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"density": 4.982529481545484,
"density_atomic": 0.02936982185620789,
"volume": 238.33988623667503,
"volume_molar": 20.504519194852055,
"formula_full": "Ba4 As2 O1",
"formula_reduced": "Ba4As2O",
"formula_anonymous": "AB2C4",
"energy": -32.9968369,
"energy_per_atom": -4.7138338428571425,
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"updated_at": "2021-11-28T01:35:00.198000Z",
"spacegroup": 139
},
{
"id": "mp-5451",
"created_at": "2022-09-04T14:43:39.584063Z",
"structure_string": "Er1 Fe2 Ge2\n1.0\n-1.976821 1.976821 5.103521\n1.976821 -1.976821 5.103521\n1.976821 1.976821 -5.103521\nEr Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.625912 0.625912 0.000000 Ge\n0.374088 0.374088 0.000000 Ge\n",
"nsites": 5,
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"density": 8.830491184163773,
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"volume": 79.77459158194732,
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"formula_full": "Er1 Fe2 Ge2",
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"energy": -32.99591036,
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"updated_at": "2021-11-28T01:36:17.039000Z",
"spacegroup": 139
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{
"id": "mp-1077915",
"created_at": "2022-09-04T14:44:05.686117Z",
"structure_string": "Hg1 As1 Pd5\n1.0\n4.059782 0.000000 0.000000\n0.000000 4.059782 0.000000\n0.000000 0.000000 7.166603\nHg As Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.500000 As\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.707303 Pd\n0.000000 0.500000 0.707303 Pd\n0.500000 0.000000 0.292697 Pd\n0.000000 0.500000 0.292697 Pd\n",
"nsites": 7,
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],
"chemical_system": "As-Hg-Pd",
"density": 11.353581224681223,
"density_atomic": 0.059262404108764904,
"volume": 118.11873151741916,
"volume_molar": 10.161823251293525,
"formula_full": "Hg1 As1 Pd5",
"formula_reduced": "HgAsPd5",
"formula_anonymous": "ABC5",
"energy": -32.99550214,
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"updated_at": "2021-11-28T01:36:28.946000Z",
"spacegroup": 123
},
{
"id": "mp-1185388",
"created_at": "2022-09-04T14:42:25.121297Z",
"structure_string": "Li1 Pm1 O3\n1.0\n3.746129 0.000000 0.000000\n0.000000 3.746129 0.000000\n0.000000 0.000000 3.746129\nLi Pm O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"density": 6.31537090733444,
"density_atomic": 0.09510904457134964,
"volume": 52.5712357067057,
"volume_molar": 6.331827627058398,
"formula_full": "Li1 Pm1 O3",
"formula_reduced": "LiPmO3",
"formula_anonymous": "ABC3",
"energy": -32.99501551,
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"updated_at": "2021-11-28T01:35:47.528000Z",
"spacegroup": 221
},
{
"id": "mp-1112134",
"created_at": "2022-09-04T14:42:43.132195Z",
"structure_string": "Cs2 Rb1 As1 Br6\n1.0\n0.000000 5.948174 5.948174\n5.948174 0.000000 5.948174\n5.948174 5.948174 0.000000\nCs Rb As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.775452 0.224548 0.224548 Br\n0.224548 0.224548 0.775452 Br\n0.224548 0.775452 0.775452 Br\n0.224548 0.775452 0.224548 Br\n0.775452 0.224548 0.775452 Br\n0.775452 0.775452 0.224548 Br\n",
"nsites": 10,
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"elements": [
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"As",
"Br"
],
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"density": 3.5728614710031197,
"density_atomic": 0.023758499646613626,
"volume": 420.9019992314764,
"volume_molar": 25.347310855373628,
"formula_full": "Cs2 Rb1 As1 Br6",
"formula_reduced": "Cs2RbAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.9941497,
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"updated_at": "2021-11-28T01:35:56.403000Z",
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{
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"created_at": "2022-09-04T14:46:30.705096Z",
"structure_string": "Ti2 Fe1 Co1\n1.0\n0.000000 2.971660 2.971660\n2.971660 0.000000 2.971660\n2.971660 2.971660 0.000000\nTi Fe Co\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n",
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"volume": 52.48405127794059,
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"formula_full": "Ti2 Fe1 Co1",
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"updated_at": "2021-11-28T01:37:35.727000Z",
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{
"id": "mp-1185522",
"created_at": "2022-09-04T14:41:29.318014Z",
"structure_string": "Lu6 Tl2\n1.0\n3.376541 -5.848341 0.000000\n3.376541 5.848341 0.000000\n0.000000 0.000000 5.524935\nLu Tl\n6 2\ndirect\n0.167761 0.335522 0.250000 Lu\n0.664478 0.832239 0.250000 Lu\n0.167761 0.832239 0.250000 Lu\n0.832239 0.664478 0.750000 Lu\n0.335522 0.167761 0.750000 Lu\n0.832239 0.167761 0.750000 Lu\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
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"volume": 218.20358588050314,
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"formula_full": "Lu6 Tl2",
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{
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{
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"structure_string": "Cd1 In1 Cu3 Se4\n1.0\n6.011992 0.000000 0.000000\n0.000000 6.011992 0.000000\n0.000000 0.000000 6.011992\nCd In Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.247859 0.247859 0.247859 Se\n0.752141 0.752141 0.247859 Se\n0.247859 0.752141 0.752141 Se\n0.752141 0.247859 0.752141 Se\n",
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"formula_full": "Cd1 In1 Cu3 Se4",
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{
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]
}