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{
"id": "mp-866225",
"created_at": "2022-09-04T14:41:37.215907Z",
"structure_string": "Ac1 Mg1 Hg2\n1.0\n0.000000 3.823857 3.823857\n3.823857 0.000000 3.823857\n3.823857 3.823857 0.000000\nAc Mg Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
"id": "mp-1111064",
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"structure_string": "Na2 Ga1 Hg1 Br6\n1.0\n0.000000 5.480558 5.480558\n5.480558 0.000000 5.480558\n5.480558 5.480558 0.000000\nNa Ga Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.761744 0.238256 0.238256 Br\n0.238256 0.238256 0.761744 Br\n0.238256 0.761744 0.761744 Br\n0.238256 0.761744 0.238256 Br\n0.761744 0.238256 0.761744 Br\n0.761744 0.761744 0.238256 Br\n",
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{
"id": "mp-19751",
"created_at": "2022-09-04T14:41:37.203445Z",
"structure_string": "Ba2 Yb1 Nb1 O6\n1.0\n0.000000 4.288203 4.288203\n4.288203 0.000000 4.288203\n4.288203 4.288203 0.000000\nBa Yb Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Nb\n0.765006 0.765006 0.234994 O\n0.765006 0.234994 0.765006 O\n0.234994 0.765006 0.234994 O\n0.765006 0.234994 0.234994 O\n0.234994 0.234994 0.765006 O\n0.234994 0.765006 0.765006 O\n",
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],
"chemical_system": "Ba-Nb-O-Yb",
"density": 6.702819592178128,
"density_atomic": 0.06340799129856088,
"volume": 157.70882810203392,
"volume_molar": 9.497447619250918,
"formula_full": "Ba2 Yb1 Nb1 O6",
"formula_reduced": "Ba2YbNbO6",
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"updated_at": "2021-11-28T01:35:28.031000Z",
"spacegroup": 225
},
{
"id": "mp-1111393",
"created_at": "2022-09-04T14:41:37.212506Z",
"structure_string": "Cs1 Rb2 Rh1 F6\n1.0\n0.000000 4.778651 4.778651\n4.778651 0.000000 4.778651\n4.778651 4.778651 0.000000\nCs Rb Rh F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Rh\n0.210874 0.210874 0.789126 F\n0.210874 0.789126 0.789126 F\n0.789126 0.789126 0.210874 F\n0.210874 0.789126 0.210874 F\n0.789126 0.210874 0.789126 F\n0.789126 0.210874 0.210874 F\n",
"nsites": 10,
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"elements": [
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"F"
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"density": 3.9620647902072723,
"density_atomic": 0.04581989218993175,
"volume": 218.24582123738284,
"volume_molar": 13.14307055773317,
"formula_full": "Cs1 Rb2 Rh1 F6",
"formula_reduced": "CsRb2RhF6",
"formula_anonymous": "ABC2D6",
"energy": -47.287348910000006,
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"updated_at": "2021-11-28T01:35:31.801000Z",
"spacegroup": 225
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{
"id": "mp-974990",
"created_at": "2022-09-04T14:41:37.368447Z",
"structure_string": "Rb3 Hg1\n1.0\n0.000000 5.026909 5.026909\n5.026909 0.000000 5.026909\n5.026909 5.026909 0.000000\nRb Hg\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 Hg\n",
"nsites": 4,
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"chemical_system": "Hg-Rb",
"density": 2.986936289924527,
"density_atomic": 0.015744429381513044,
"volume": 254.058111797736,
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"formula_full": "Rb3 Hg1",
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"formula_anonymous": "AB3",
"energy": -3.40456878,
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"updated_at": "2021-11-28T01:35:28.814000Z",
"spacegroup": 225
},
{
"id": "mp-1111885",
"created_at": "2022-09-04T14:41:44.998888Z",
"structure_string": "Cs2 Nd1 Cu1 Br6\n1.0\n0.000000 5.615600 5.615600\n5.615600 0.000000 5.615600\n5.615600 5.615600 0.000000\nCs Nd Cu 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 Nd\n0.000000 0.000000 0.000000 Cu\n0.757815 0.242185 0.242185 Br\n0.242185 0.242185 0.757815 Br\n0.242185 0.757815 0.757815 Br\n0.242185 0.757815 0.242185 Br\n0.757815 0.242185 0.757815 Br\n0.757815 0.757815 0.242185 Br\n",
"nsites": 10,
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"elements": [
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"Cu",
"Br"
],
"chemical_system": "Br-Cs-Cu-Nd",
"density": 4.468213781880857,
"density_atomic": 0.028234591469172374,
"volume": 354.1754804888319,
"volume_molar": 21.328945972443794,
"formula_full": "Cs2 Nd1 Cu1 Br6",
"formula_reduced": "Cs2NdCuBr6",
"formula_anonymous": "ABC2D6",
"energy": -38.91000935,
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"updated_at": "2021-11-28T01:35:46.230000Z",
"spacegroup": 225
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{
"id": "mp-1207138",
"created_at": "2022-09-04T14:41:45.055693Z",
"structure_string": "Sm1 Eu2 Ta1 O6\n1.0\n0.000000 4.253953 4.253953\n4.253953 0.000000 4.253953\n4.253953 4.253953 0.000000\nSm Eu Ta O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Ta\n0.765884 0.234116 0.234116 O\n0.234116 0.765884 0.765884 O\n0.234116 0.765884 0.234116 O\n0.765884 0.234116 0.765884 O\n0.234116 0.234116 0.765884 O\n0.765884 0.765884 0.234116 O\n",
"nsites": 10,
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"elements": [
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"Ta",
"O"
],
"chemical_system": "Eu-O-Sm-Ta",
"density": 7.8867194998097006,
"density_atomic": 0.06495191237851815,
"volume": 153.96005496687033,
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"formula_full": "Sm1 Eu2 Ta1 O6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:43.089000Z",
"spacegroup": 225
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{
"id": "mp-24201",
"created_at": "2022-09-04T14:41:45.071134Z",
"structure_string": "H2 S1\n1.0\n0.000000 2.295309 2.295309\n2.295309 0.000000 2.295309\n2.295309 2.295309 0.000000\nH S\n2 1\ndirect\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n0.000000 0.000000 0.000000 S\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "H-S",
"density": 2.3399491686052554,
"density_atomic": 0.12404172019139949,
"volume": 24.18541112918238,
"volume_molar": 4.854931671946895,
"formula_full": "H2 S1",
"formula_reduced": "H2S",
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"energy": -8.94680208,
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{
"id": "mp-641573",
"created_at": "2022-09-04T14:41:45.137397Z",
"structure_string": "Cr21 Mo2 C6\n1.0\n0.000000 5.321935 5.321935\n5.321935 0.000000 5.321935\n5.321935 5.321935 0.000000\nCr Mo C\n21 2 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.615962 0.615962 0.152113 Cr\n0.615962 0.152113 0.615962 Cr\n0.152113 0.615962 0.615962 Cr\n0.615962 0.615962 0.615962 Cr\n0.384038 0.384038 0.847887 Cr\n0.384038 0.847887 0.384038 Cr\n0.847887 0.384038 0.384038 Cr\n0.384038 0.384038 0.384038 Cr\n0.000000 0.000000 0.337619 Cr\n0.662381 0.000000 0.337619 Cr\n0.000000 0.662381 0.337619 Cr\n0.662381 0.337619 0.000000 Cr\n0.000000 0.337619 0.000000 Cr\n0.000000 0.337619 0.662381 Cr\n0.337619 0.662381 0.000000 Cr\n0.337619 0.000000 0.662381 Cr\n0.337619 0.000000 0.000000 Cr\n0.000000 0.000000 0.662381 Cr\n0.000000 0.662381 0.000000 Cr\n0.662381 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Mo\n0.250000 0.250000 0.250000 Mo\n0.723968 0.723968 0.276032 C\n0.276032 0.723968 0.276032 C\n0.723968 0.276032 0.276032 C\n0.276032 0.276032 0.723968 C\n0.723968 0.276032 0.723968 C\n0.276032 0.723968 0.723968 C\n",
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{
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{
"id": "mp-983556",
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"structure_string": "Er2 Mg1 Tl1\n1.0\n0.000000 3.749010 3.749010\n3.749010 0.000000 3.749010\n3.749010 3.749010 0.000000\nEr Mg Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
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{
"id": "mp-1057437",
"created_at": "2022-09-04T14:41:45.492930Z",
"structure_string": "Rb1 S1\n1.0\n0.000000 3.402904 3.402904\n3.402904 0.000000 3.402904\n3.402904 3.402904 0.000000\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 S\n",
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}
]
}