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"results": [
{
"id": "mp-27508",
"created_at": "2022-09-04T14:42:16.243232Z",
"structure_string": "Li6 Br3 N1\n1.0\n0.000000 4.522312 4.522312\n4.522312 0.000000 4.522312\n4.522312 4.522312 0.000000\nLi Br N\n6 3 1\ndirect\n0.712453 0.712453 0.287547 Li\n0.712453 0.287547 0.712453 Li\n0.287547 0.712453 0.287547 Li\n0.712453 0.287547 0.287547 Li\n0.287547 0.287547 0.712453 Li\n0.287547 0.712453 0.712453 Li\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 N\n",
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{
"id": "mp-867156",
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"structure_string": "Sc1 Ga1 Ru2\n1.0\n0.000000 3.123551 3.123551\n3.123551 0.000000 3.123551\n3.123551 3.123551 0.000000\nSc Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Sc1 Ga1 Ru2",
"formula_reduced": "ScGaRu2",
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"spacegroup": 225
},
{
"id": "mp-1113676",
"created_at": "2022-09-04T14:42:16.454393Z",
"structure_string": "Rb2 Na1 Mn1 F6\n1.0\n6.082242 0.000000 0.000000\n3.041121 5.267376 0.000000\n3.041121 1.755792 4.966130\nRb Na Mn F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mn\n0.228593 0.771407 0.228593 F\n0.771407 0.771407 0.228593 F\n0.771407 0.228593 0.771407 F\n0.771407 0.228593 0.228593 F\n0.228593 0.771407 0.771407 F\n0.228593 0.228593 0.771407 F\n",
"nsites": 10,
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"elements": [
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"Na",
"Mn",
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],
"chemical_system": "F-Mn-Na-Rb",
"density": 3.787082033491691,
"density_atomic": 0.06285269433288883,
"volume": 159.10216906592206,
"volume_molar": 9.581356573363005,
"formula_full": "Rb2 Na1 Mn1 F6",
"formula_reduced": "Rb2NaMnF6",
"formula_anonymous": "ABC2D6",
"energy": -53.36578642,
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"updated_at": "2021-11-28T01:35:42.304000Z",
"spacegroup": 225
},
{
"id": "mp-1186785",
"created_at": "2022-09-04T14:42:16.368007Z",
"structure_string": "Pr1 Eu1 Zn2\n1.0\n0.000000 3.711244 3.711244\n3.711244 0.000000 3.711244\n3.711244 3.711244 0.000000\nPr Eu Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
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"density": 6.881901169271069,
"density_atomic": 0.039126542318964876,
"volume": 102.23239169440166,
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"formula_full": "Pr1 Eu1 Zn2",
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"energy": -18.69687197,
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"updated_at": "2021-11-28T01:35:37.736000Z",
"spacegroup": 225
},
{
"id": "mp-1185359",
"created_at": "2022-09-04T14:42:16.439910Z",
"structure_string": "Li1 Mg2 Cd1\n1.0\n0.000000 3.429266 3.429266\n3.429266 0.000000 3.429266\n3.429266 3.429266 0.000000\nLi Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"density": 3.458012973619913,
"density_atomic": 0.04959369591750952,
"volume": 80.6554124672076,
"volume_molar": 12.142956173334575,
"formula_full": "Li1 Mg2 Cd1",
"formula_reduced": "LiMg2Cd",
"formula_anonymous": "ABC2",
"energy": -6.67486731,
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"updated_at": "2021-11-28T01:35:43.937000Z",
"spacegroup": 225
},
{
"id": "mp-1110814",
"created_at": "2022-09-04T14:42:16.456543Z",
"structure_string": "Cs1 Rb2 Tm1 Cl6\n1.0\n0.000000 5.862742 5.862742\n5.862742 0.000000 5.862742\n5.862742 5.862742 0.000000\nCs Rb Tm Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.778105 0.221895 0.221895 Cl\n0.221895 0.221895 0.778105 Cl\n0.221895 0.778105 0.778105 Cl\n0.221895 0.778105 0.221895 Cl\n0.778105 0.221895 0.778105 Cl\n0.778105 0.778105 0.221895 Cl\n",
"nsites": 10,
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"elements": [
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"Rb",
"Tm",
"Cl"
],
"chemical_system": "Cl-Cs-Rb-Tm",
"density": 2.8243592953793892,
"density_atomic": 0.02481233614510447,
"volume": 403.02533149314206,
"volume_molar": 24.27075276097363,
"formula_full": "Cs1 Rb2 Tm1 Cl6",
"formula_reduced": "CsRb2TmCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.7322324,
"energy_per_atom": -4.27322324,
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"updated_at": "2021-11-28T01:35:41.360000Z",
"spacegroup": 225
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{
"id": "mp-865096",
"created_at": "2022-09-04T14:42:16.489793Z",
"structure_string": "Na1 Ho1 Tl2\n1.0\n0.000000 3.781696 3.781696\n3.781696 0.000000 3.781696\n3.781696 3.781696 0.000000\nNa Ho Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"Ho",
"Tl"
],
"chemical_system": "Ho-Na-Tl",
"density": 9.160213775039857,
"density_atomic": 0.036980276419847094,
"volume": 108.1657680052717,
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"formula_full": "Na1 Ho1 Tl2",
"formula_reduced": "NaHoTl2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:37.436000Z",
"spacegroup": 225
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{
"id": "mp-1001600",
"created_at": "2022-09-04T14:42:16.840004Z",
"structure_string": "Hf1 B12\n1.0\n0.000000 3.692201 3.692201\n3.692201 0.000000 3.692201\n3.692201 3.692201 0.000000\nHf B\n1 12\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.839290 0.500000 B\n0.839290 0.500000 0.500000 B\n0.500000 0.839290 0.160710 B\n0.160710 0.500000 0.839290 B\n0.839290 0.500000 0.160710 B\n0.500000 0.500000 0.839290 B\n0.160710 0.839290 0.500000 B\n0.500000 0.160710 0.839290 B\n0.500000 0.500000 0.160710 B\n0.839290 0.160710 0.500000 B\n0.160710 0.500000 0.500000 B\n0.500000 0.160710 0.500000 B\n",
"nsites": 13,
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"elements": [
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"density": 5.0842480323042745,
"density_atomic": 0.12913897942337477,
"volume": 100.66673949296319,
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"formula_full": "Hf1 B12",
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"updated_at": "2021-11-28T01:35:39.737000Z",
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{
"id": "mp-1110657",
"created_at": "2022-09-04T14:42:16.921648Z",
"structure_string": "Na2 Li1 Sb1 F6\n1.0\n0.000000 4.202858 4.202858\n4.202858 0.000000 4.202858\n4.202858 4.202858 0.000000\nNa Li Sb F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.259156 0.259156 0.740844 F\n0.259156 0.740844 0.740844 F\n0.740844 0.740844 0.259156 F\n0.259156 0.740844 0.259156 F\n0.740844 0.259156 0.740844 F\n0.740844 0.259156 0.259156 F\n",
"nsites": 10,
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{
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{
"id": "mp-1187811",
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{
"id": "mp-1114151",
"created_at": "2022-09-04T14:42:16.575816Z",
"structure_string": "Rb3 Tl1 I6\n1.0\n0.000000 6.480849 6.480849\n6.480849 0.000000 6.480849\n6.480849 6.480849 0.000000\nRb Tl I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.767503 0.232497 0.232497 I\n0.232497 0.232497 0.767503 I\n0.232497 0.767503 0.767503 I\n0.232497 0.767503 0.232497 I\n0.767503 0.232497 0.767503 I\n0.767503 0.767503 0.232497 I\n",
"nsites": 10,
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"volume": 544.4095111235669,
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}
]
}