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{
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"results": [
{
"id": "mp-1114107",
"created_at": "2022-09-04T14:41:52.474423Z",
"structure_string": "Rb3 Eu1 Cl6\n1.0\n0.000000 5.814244 5.814244\n5.814244 0.000000 5.814244\n5.814244 5.814244 0.000000\nRb Eu Cl\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 Eu\n0.767144 0.232856 0.232856 Cl\n0.232856 0.232856 0.767144 Cl\n0.232856 0.767144 0.767144 Cl\n0.232856 0.767144 0.232856 Cl\n0.767144 0.232856 0.767144 Cl\n0.767144 0.767144 0.232856 Cl\n",
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"volume": 393.106075365427,
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"formula_reduced": "Rb3EuCl6",
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{
"id": "mp-1111636",
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"structure_string": "Rb2 Er1 Ag1 Cl6\n1.0\n0.000000 5.367039 5.367039\n5.367039 0.000000 5.367039\n5.367039 5.367039 0.000000\nRb Er Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ag\n0.756554 0.243446 0.243446 Cl\n0.243446 0.243446 0.756554 Cl\n0.243446 0.756554 0.756554 Cl\n0.243446 0.756554 0.243446 Cl\n0.756554 0.243446 0.756554 Cl\n0.756554 0.756554 0.243446 Cl\n",
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"elements": [
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"chemical_system": "Ag-Cl-Er-Rb",
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"formula_full": "Rb2 Er1 Ag1 Cl6",
"formula_reduced": "Rb2ErAgCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-1193644",
"created_at": "2022-09-04T14:41:52.653388Z",
"structure_string": "Lu6 Fe23\n1.0\n-5.941426 -5.941426 0.000000\n-5.941426 0.000000 -5.941426\n0.000000 -5.941426 -5.941426\nLu Fe\n6 23\ndirect\n0.707502 0.292498 0.292498 Lu\n0.707502 0.292498 0.707502 Lu\n0.707502 0.707502 0.292498 Lu\n0.292498 0.707502 0.707502 Lu\n0.292498 0.707502 0.292498 Lu\n0.292498 0.292498 0.707502 Lu\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.637125 0.120958 0.120958 Fe\n0.120958 0.637125 0.120958 Fe\n0.120958 0.120958 0.637125 Fe\n0.120958 0.120958 0.120958 Fe\n0.362875 0.879042 0.879042 Fe\n0.879042 0.362875 0.879042 Fe\n0.879042 0.879042 0.362875 Fe\n0.879042 0.879042 0.879042 Fe\n0.023467 0.325511 0.325511 Fe\n0.325511 0.023467 0.325511 Fe\n0.325511 0.325511 0.023467 Fe\n0.325511 0.325511 0.325511 Fe\n0.976533 0.674489 0.674489 Fe\n0.674489 0.976533 0.674489 Fe\n0.674489 0.674489 0.976533 Fe\n0.674489 0.674489 0.674489 Fe\n",
"nsites": 29,
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"elements": [
"Lu",
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"chemical_system": "Fe-Lu",
"density": 9.24042557419769,
"density_atomic": 0.06913467491823798,
"volume": 419.4711269604841,
"volume_molar": 8.710738521765057,
"formula_full": "Lu6 Fe23",
"formula_reduced": "Lu6Fe23",
"formula_anonymous": "A6B23",
"energy": -224.96149016,
"energy_per_atom": -7.757292764137931,
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"updated_at": "2021-11-28T01:35:36.223000Z",
"spacegroup": 225
},
{
"id": "mp-1183494",
"created_at": "2022-09-04T14:41:52.984304Z",
"structure_string": "Ca3 Sm1\n1.0\n0.000000 4.255340 4.255340\n4.255340 0.000000 4.255340\n4.255340 4.255340 0.000000\nCa Sm\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-Sm",
"density": 2.9156438088108136,
"density_atomic": 0.02595536845421415,
"volume": 154.11069995234664,
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"formula_full": "Ca3 Sm1",
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"formula_anonymous": "AB3",
"energy": -10.31980276,
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"energy_uncorrected": -10.31980276,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:32.909000Z",
"spacegroup": 225
},
{
"id": "mp-977586",
"created_at": "2022-09-04T14:41:52.706777Z",
"structure_string": "Mg1 Sc2 In1\n1.0\n0.000000 3.560497 3.560497\n3.560497 0.000000 3.560497\n3.560497 3.560497 0.000000\nMg Sc In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Sc",
"In"
],
"chemical_system": "In-Mg-Sc",
"density": 4.212973716390909,
"density_atomic": 0.044309629957502164,
"volume": 90.27382995155776,
"volume_molar": 13.591042772814621,
"formula_full": "Mg1 Sc2 In1",
"formula_reduced": "MgSc2In",
"formula_anonymous": "ABC2",
"energy": -18.18776238,
"energy_per_atom": -4.546940595,
"energy_above_hull": null,
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"energy_uncorrected": -18.18776238,
"band_gap": 0.0,
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"total_magnetization": 0.0090833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.909000Z",
"spacegroup": 225
},
{
"id": "mp-1094298",
"created_at": "2022-09-04T14:41:52.714085Z",
"structure_string": "Sr1 Mg1\n1.0\n0.000000 3.499514 3.499514\n3.499514 0.000000 3.499514\n3.499514 3.499514 0.000000\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.1683181197218424,
"density_atomic": 0.02333333381091982,
"volume": 85.71428395988642,
"volume_molar": 25.809174157452308,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -2.84480301,
"energy_per_atom": -1.422401505,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.456000Z",
"spacegroup": 225
},
{
"id": "mp-1113999",
"created_at": "2022-09-04T14:41:52.858696Z",
"structure_string": "Rb3 Al1 Cl6\n1.0\n0.000000 5.445815 5.445815\n5.445815 0.000000 5.445815\n5.445815 5.445815 0.000000\nRb Al Cl\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 Al\n0.784697 0.215303 0.215303 Cl\n0.215303 0.215303 0.784697 Cl\n0.215303 0.784697 0.784697 Cl\n0.215303 0.784697 0.215303 Cl\n0.784697 0.215303 0.784697 Cl\n0.784697 0.784697 0.215303 Cl\n",
"nsites": 10,
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"elements": [
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"Al",
"Cl"
],
"chemical_system": "Al-Cl-Rb",
"density": 2.550364472463565,
"density_atomic": 0.03095860284788556,
"volume": 323.01199279356337,
"volume_molar": 19.452236877709446,
"formula_full": "Rb3 Al1 Cl6",
"formula_reduced": "Rb3AlCl6",
"formula_anonymous": "AB3C6",
"energy": -39.21590453,
"energy_per_atom": -3.9215904530000003,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:33.025000Z",
"spacegroup": 225
},
{
"id": "mp-631305",
"created_at": "2022-09-04T14:41:52.868734Z",
"structure_string": "Ga2 W1 Se1\n1.0\n0.000000 3.269010 3.269010\n3.269010 0.000000 3.269010\n3.269010 3.269010 0.000000\nGa W Se\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ga\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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"W",
"Se"
],
"chemical_system": "Ga-Se-W",
"density": 9.56009237272674,
"density_atomic": 0.057250758955523284,
"volume": 69.86806940162143,
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"formula_full": "Ga2 W1 Se1",
"formula_reduced": "Ga2WSe",
"formula_anonymous": "ABC2",
"energy": -19.94343231,
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"updated_at": "2021-11-28T01:35:29.738000Z",
"spacegroup": 225
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{
"id": "mp-1111474",
"created_at": "2022-09-04T14:41:53.048826Z",
"structure_string": "Na2 Li1 Tl1 Cl6\n1.0\n0.000000 5.120351 5.120351\n5.120351 0.000000 5.120351\n5.120351 5.120351 0.000000\nNa Li Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.746499 0.253501 0.253501 Cl\n0.253501 0.253501 0.746499 Cl\n0.253501 0.746499 0.746499 Cl\n0.253501 0.746499 0.253501 Cl\n0.746499 0.253501 0.746499 Cl\n0.746499 0.746499 0.253501 Cl\n",
"nsites": 10,
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"volume": 268.4906673112213,
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"formula_full": "Na2 Li1 Tl1 Cl6",
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{
"id": "mp-862952",
"created_at": "2022-09-04T14:41:52.520779Z",
"structure_string": "Pm1 Ni2 Sn1\n1.0\n0.000000 3.288478 3.288478\n3.288478 0.000000 3.288478\n3.288478 3.288478 0.000000\nPm Ni Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Pm1 Ni2 Sn1",
"formula_reduced": "PmNi2Sn",
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{
"id": "mp-867263",
"created_at": "2022-09-04T14:41:53.079461Z",
"structure_string": "Sc1 Cd1 Hg2\n1.0\n0.000000 3.519166 3.519166\n3.519166 0.000000 3.519166\n3.519166 3.519166 0.000000\nSc Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"volume": 87.16642912738251,
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"formula_full": "Sc1 Cd1 Hg2",
"formula_reduced": "ScCdHg2",
"formula_anonymous": "ABC2",
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{
"id": "mp-867854",
"created_at": "2022-09-04T14:41:53.451852Z",
"structure_string": "Ca2 Zn1 Rh1\n1.0\n0.000000 3.542310 3.542310\n3.542310 0.000000 3.542310\n3.542310 3.542310 0.000000\nCa Zn Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Rh\n",
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"volume": 88.89752933941679,
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"formula_full": "Ca2 Zn1 Rh1",
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}
]
}