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{
"id": "mp-1095997",
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"structure_string": "K1 Hg2 Bi1\n1.0\n-6.496422 6.585593 9.139061\n6.496422 -6.585593 9.139061\n6.496422 6.585593 -9.139061\nK Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.741889 0.000000 0.741889 Hg\n0.258111 0.000000 0.258111 Hg\n0.500000 0.000000 0.500000 Bi\n",
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{
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"spacegroup": 139
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{
"id": "mp-1096464",
"created_at": "2022-09-04T14:45:17.411967Z",
"structure_string": "Tl1 Hg2 Pb1\n1.0\n-6.038053 6.239051 8.819668\n6.038053 -6.239051 8.819668\n6.038053 6.239051 -8.819668\nTl Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.255637 0.255637 Hg\n0.000000 0.744363 0.744363 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Pb-Tl",
"density": 1.0155130234640726,
"density_atomic": 0.003009763050584216,
"volume": 1329.0082749947946,
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"formula_full": "Tl1 Hg2 Pb1",
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"updated_at": "2021-11-28T01:37:04.075000Z",
"spacegroup": 71
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{
"id": "mp-1223650",
"created_at": "2022-09-04T14:44:10.370372Z",
"structure_string": "In1 Hg3\n1.0\n1.885663 -2.666293 0.000000\n1.885663 2.666293 0.000000\n0.000000 0.000000 11.379477\nIn Hg\n1 3\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.749224 Hg\n0.500000 0.000000 0.250776 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-In",
"density": 10.399067054055195,
"density_atomic": 0.03495712771848854,
"volume": 114.42587709757495,
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"formula_full": "In1 Hg3",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:26.714000Z",
"spacegroup": 21
},
{
"id": "mp-1096069",
"created_at": "2022-09-04T14:40:31.812405Z",
"structure_string": "Ba2 Na1 In1\n1.0\n-7.195333 7.255329 10.248390\n7.195333 -7.255329 10.248390\n7.195333 7.255329 -10.248390\nBa Na In\n2 1 1\ndirect\n0.000000 0.268231 0.268231 Ba\n0.000000 0.731769 0.731769 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ba-In-Na",
"density": 0.3200436051318614,
"density_atomic": 0.001869116396869836,
"volume": 2140.048638329161,
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"formula_full": "Ba2 Na1 In1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.999000Z",
"spacegroup": 71
},
{
"id": "mp-1096340",
"created_at": "2022-09-04T14:43:09.553078Z",
"structure_string": "Na1 Hg2 Bi1\n1.0\n-6.099810 6.144414 8.679739\n6.099810 -6.144414 8.679739\n6.099810 6.144414 -8.679739\nNa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.243656 0.243656 Hg\n0.000000 0.756344 0.756344 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Na",
"density": 0.8079647053355242,
"density_atomic": 0.0030739482810891645,
"volume": 1301.258067550413,
"volume_molar": 195.90898119685437,
"formula_full": "Na1 Hg2 Bi1",
"formula_reduced": "NaHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.58161702,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.672000Z",
"spacegroup": 71
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{
"id": "mp-973055",
"created_at": "2022-09-04T14:40:41.484597Z",
"structure_string": "Hg3 Au1\n1.0\n4.513792 0.000000 0.000000\n0.000000 4.513792 0.000000\n0.000000 0.000000 4.513792\nHg Au\n3 1\ndirect\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
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"density": 14.422084588110335,
"density_atomic": 0.04349460227217477,
"volume": 91.96543458356807,
"volume_molar": 13.845719802920472,
"formula_full": "Hg3 Au1",
"formula_reduced": "Hg3Au",
"formula_anonymous": "AB3",
"energy": -3.578113,
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"updated_at": "2021-11-28T01:35:07.314000Z",
"spacegroup": 221
},
{
"id": "mp-1096629",
"created_at": "2022-09-04T14:40:36.193570Z",
"structure_string": "Li2 Tl1 Hg1\n1.0\n-5.674047 5.884363 8.338265\n5.674047 -5.884363 8.338265\n5.674047 5.884363 -8.338265\nLi Tl Hg\n2 1 1\ndirect\n0.000000 0.249256 0.249256 Li\n0.000000 0.750744 0.750744 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Tl",
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"density_atomic": 0.0035919635560188222,
"volume": 1113.597044518299,
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"formula_full": "Li2 Tl1 Hg1",
"formula_reduced": "Li2TlHg",
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"updated_at": "2021-11-28T01:35:06.868000Z",
"spacegroup": 71
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{
"id": "mp-1222270",
"created_at": "2022-09-04T14:48:08.551986Z",
"structure_string": "Li1 Mg1\n1.0\n1.730789 -2.464336 0.000000\n1.730789 2.464336 0.000000\n0.000000 0.000000 4.901858\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
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"elements": [
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"volume": 41.815256935621534,
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"formula_full": "Li1 Mg1",
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"spacegroup": 65
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{
"id": "mp-1094982",
"created_at": "2022-09-04T14:41:55.717272Z",
"structure_string": "Li1 Mg1\n1.0\n1.545754 -2.677325 0.000000\n1.545754 2.677325 0.000000\n0.000000 0.000000 5.103529\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.500000 Mg\n",
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"formula_full": "Li1 Mg1",
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{
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"created_at": "2022-09-04T14:47:26.134284Z",
"structure_string": "Mg1 Al1\n1.0\n0.000000 3.215910 3.215910\n3.215910 0.000000 3.215910\n3.215910 3.215910 0.000000\nMg Al\n1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Al\n",
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{
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"structure_string": "Ca2 Zn1 Ag1\n1.0\n-6.215381 6.282232 8.781065\n6.215381 -6.282232 8.781065\n6.215381 6.282232 -8.781065\nCa Zn Ag\n2 1 1\ndirect\n0.739756 0.000000 0.739756 Ca\n0.260244 0.000000 0.260244 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
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"updated_at": "2021-11-28T01:35:13.346000Z",
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]
}