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{
"id": "mp-1097219",
"created_at": "2022-09-04T14:39:32.387984Z",
"structure_string": "Ti2 Mn1 Cu1\n1.0\n-4.666722 5.176153 7.326100\n4.666722 -5.176153 7.326100\n4.666722 5.176153 -7.326100\nTi Mn Cu\n2 1 1\ndirect\n0.000000 0.225389 0.225389 Ti\n0.000000 0.774611 0.774611 Ti\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Cu\n",
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{
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{
"id": "mp-1097367",
"created_at": "2022-09-04T14:47:10.336499Z",
"structure_string": "Ca2 Sn1 Au1\n1.0\n-5.890121 6.264182 8.857264\n5.890121 -6.264182 8.857264\n5.890121 6.264182 -8.857264\nCa Sn Au\n2 1 1\ndirect\n0.000000 0.254179 0.254179 Ca\n0.000000 0.745821 0.745821 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.5028199005944716,
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"volume": 1307.2184372178504,
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"formula_full": "Ca2 Sn1 Au1",
"formula_reduced": "Ca2SnAu",
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"updated_at": "2021-11-28T01:38:00.281000Z",
"spacegroup": 71
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{
"id": "mp-1097459",
"created_at": "2022-09-04T14:40:31.065063Z",
"structure_string": "Rb2 Au1 Br1\n1.0\n-6.391517 6.398160 9.038464\n6.391517 -6.398160 9.038464\n6.391517 6.398160 -9.038464\nRb Au Br\n2 1 1\ndirect\n0.751434 0.000000 0.751434 Rb\n0.248566 0.000000 0.248566 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Br-Rb",
"density": 0.502950797307818,
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"volume": 1478.473922040292,
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"formula_full": "Rb2 Au1 Br1",
"formula_reduced": "Rb2AuBr",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.097000Z",
"spacegroup": 71
},
{
"id": "mp-1097112",
"created_at": "2022-09-04T14:48:12.771373Z",
"structure_string": "Ba1 Na1 Tl2\n1.0\n-6.315357 7.230269 10.286425\n6.315357 -7.230269 10.286425\n6.315357 7.230269 -10.286425\nBa Na Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.243371 0.243371 Tl\n0.000000 0.756629 0.756629 Tl\n",
"nsites": 4,
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"elements": [
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"density": 0.502977056700438,
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"volume": 1878.7838416347613,
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"formula_full": "Ba1 Na1 Tl2",
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"energy_uncorrected": -3.8967858,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:42.763000Z",
"spacegroup": 71
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{
"id": "mp-1093692",
"created_at": "2022-09-04T14:44:25.288164Z",
"structure_string": "Li2 Si1 Au1\n1.0\n-5.086433 5.239366 7.399403\n5.086433 -5.239366 7.399403\n5.086433 5.239366 -7.399403\nLi Si Au\n2 1 1\ndirect\n0.000000 0.255713 0.255713 Li\n0.000000 0.744287 0.744287 Li\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Si",
"Au"
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"density": 0.5030121070092798,
"density_atomic": 0.005071206004432789,
"volume": 788.7670105500669,
"volume_molar": 118.7516491094227,
"formula_full": "Li2 Si1 Au1",
"formula_reduced": "Li2SiAu",
"formula_anonymous": "ABC2",
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"band_gap": 0.2497000000000002,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.919000Z",
"spacegroup": 71
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{
"id": "mp-1097256",
"created_at": "2022-09-04T14:48:07.692457Z",
"structure_string": "Li2 Ga1 Hg1\n1.0\n-5.460114 5.573614 7.705546\n5.460114 -5.573614 7.705546\n5.460114 5.573614 -7.705546\nLi Ga Hg\n2 1 1\ndirect\n0.244165 0.000000 0.244165 Li\n0.755835 0.000000 0.755835 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Li",
"density": 0.5031106641363893,
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"volume": 937.9982053102617,
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"formula_full": "Li2 Ga1 Hg1",
"formula_reduced": "Li2GaHg",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.500000Z",
"spacegroup": 71
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{
"id": "mp-1096260",
"created_at": "2022-09-04T14:46:05.069323Z",
"structure_string": "Li2 In1 Pb1\n1.0\n-5.742488 5.819797 8.290064\n5.742488 -5.819797 8.290064\n5.742488 5.819797 -8.290064\nLi In Pb\n2 1 1\ndirect\n0.000000 0.256150 0.256150 Li\n0.000000 0.743850 0.743850 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Pb"
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"density": 0.503307374756521,
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"volume": 1108.219550211773,
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"formula_full": "Li2 In1 Pb1",
"formula_reduced": "Li2InPb",
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"updated_at": "2021-11-28T01:37:25.249000Z",
"spacegroup": 71
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{
"id": "mp-1096085",
"created_at": "2022-09-04T14:45:58.902456Z",
"structure_string": "Mn1 Be1 Co2\n1.0\n-4.548336 4.758656 6.927035\n4.548336 -4.758656 6.927035\n4.548336 4.758656 -6.927035\nMn Be Co\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.233853 0.233853 Co\n0.000000 0.766147 0.766147 Co\n",
"nsites": 4,
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"elements": [
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"Be",
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],
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"density": 0.5034292509043184,
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"volume": 599.7140510671901,
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"formula_full": "Mn1 Be1 Co2",
"formula_reduced": "MnBeCo2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:14.773000Z",
"spacegroup": 71
},
{
"id": "mp-1097176",
"created_at": "2022-09-04T14:46:52.215564Z",
"structure_string": "Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n",
"nsites": 4,
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"elements": [
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"density": 0.5036713605700279,
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"volume": 1659.405732643028,
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"formula_full": "Sr1 Li1 Tl2",
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"updated_at": "2021-11-28T01:37:43.083000Z",
"spacegroup": 71
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{
"id": "mp-1093824",
"created_at": "2022-09-04T14:39:11.522375Z",
"structure_string": "Ba2 Ag1 Pd1\n1.0\n-6.174833 6.793814 9.603085\n6.174833 -6.793814 9.603085\n6.174833 6.793814 -9.603085\nBa Ag Pd\n2 1 1\ndirect\n0.000000 0.230742 0.230742 Ba\n0.000000 0.769258 0.769258 Ba\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 1611.4232795389178,
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"updated_at": "2021-11-28T01:34:34.638000Z",
"spacegroup": 71
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{
"id": "mp-1093962",
"created_at": "2022-09-04T14:39:32.803239Z",
"structure_string": "Nb2 Tc1 Ni1\n1.0\n-4.670366 6.442851 9.372983\n4.670366 -6.442851 9.372983\n4.670366 6.442851 -9.372983\nNb Tc Ni\n2 1 1\ndirect\n0.000000 0.254978 0.254978 Nb\n0.000000 0.745022 0.745022 Nb\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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"density": 0.50413942267771,
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"volume": 1128.149939574834,
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"formula_full": "Nb2 Tc1 Ni1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:23.893000Z",
"spacegroup": 71
}
]
}