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"results": [
{
"id": "mp-1187182",
"created_at": "2022-09-04T14:45:28.011607Z",
"structure_string": "Sr1 Mg1 O3\n1.0\n4.025570 0.000000 0.000000\n0.000000 4.025570 0.000000\n0.000000 0.000000 4.025570\nSr Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Yb2 In4 Pd2\n1.0\n2.243081 -5.125355 0.000000\n2.243082 5.125355 0.000000\n0.000000 0.000000 7.958353\nYb In Pd\n2 4 2\ndirect\n0.066673 0.933327 0.250000 Yb\n0.933327 0.066673 0.750000 Yb\n0.643557 0.356443 0.552850 In\n0.356443 0.643557 0.447150 In\n0.643557 0.356443 0.947150 In\n0.356443 0.643557 0.052850 In\n0.217294 0.782706 0.750000 Pd\n0.782706 0.217294 0.250000 Pd\n",
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"density": 9.23967251089304,
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{
"id": "mp-1007852",
"created_at": "2022-09-04T14:47:12.977443Z",
"structure_string": "Fe1 Co3\n1.0\n3.541812 0.000000 0.000000\n0.000000 3.541812 0.000000\n0.000000 0.000000 3.541812\nFe Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Co-Fe",
"density": 8.694918803786157,
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"volume": 44.430020652662705,
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"formula_full": "Fe1 Co3",
"formula_reduced": "FeCo3",
"formula_anonymous": "AB3",
"energy": -29.75451909,
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"updated_at": "2021-11-28T01:37:55.898000Z",
"spacegroup": 221
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{
"id": "mp-972160",
"created_at": "2022-09-04T14:40:55.244628Z",
"structure_string": "Yb1 Mg1 O3\n1.0\n3.886603 0.000000 0.000000\n0.000000 3.886603 0.000000\n0.000000 0.000000 3.886603\nYb Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Mg",
"O"
],
"chemical_system": "Mg-O-Yb",
"density": 6.939250705746186,
"density_atomic": 0.08516466837755095,
"volume": 58.70979239693698,
"volume_molar": 7.071172676094645,
"formula_full": "Yb1 Mg1 O3",
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"updated_at": "2021-11-28T01:34:57.626000Z",
"spacegroup": 221
},
{
"id": "mp-31294",
"created_at": "2022-09-04T14:44:09.087931Z",
"structure_string": "Sr2 In3 Rh2\n1.0\n2.164902 5.577975 0.000000\n-2.164902 5.577975 0.000000\n0.000000 3.419880 7.248718\nSr In Rh\n2 3 2\ndirect\n0.143823 0.143823 0.223637 Sr\n0.856177 0.856177 0.776363 Sr\n0.500000 0.500000 0.000000 In\n0.358602 0.358602 0.443530 In\n0.641398 0.641398 0.556470 In\n0.128187 0.128187 0.793387 Rh\n0.871813 0.871813 0.206613 Rh\n",
"nsites": 7,
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"elements": [
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"In",
"Rh"
],
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"density": 6.881506144370534,
"density_atomic": 0.03998453361392113,
"volume": 175.06769161271046,
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"formula_full": "Sr2 In3 Rh2",
"formula_reduced": "Sr2In3Rh2",
"formula_anonymous": "A2B2C3",
"energy": -29.757751160000005,
"energy_per_atom": -4.251107308571429,
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"updated_at": "2021-11-28T01:36:29.270000Z",
"spacegroup": 12
},
{
"id": "mp-567375",
"created_at": "2022-09-04T14:45:52.580132Z",
"structure_string": "Ce1 As2 Pd2\n1.0\n-2.113337 2.113337 5.402133\n2.113337 -2.113337 5.402133\n2.113337 2.113337 -5.402133\nCe As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.616944 0.616944 0.000000 As\n0.383056 0.383056 0.000000 As\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"As",
"Pd"
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"density": 8.65129056347135,
"density_atomic": 0.05180924069378848,
"volume": 96.50788031331756,
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"formula_full": "Ce1 As2 Pd2",
"formula_reduced": "Ce(AsPd)2",
"formula_anonymous": "AB2C2",
"energy": -29.75865191,
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"updated_at": "2021-11-28T01:37:19.480000Z",
"spacegroup": 139
},
{
"id": "mp-1185004",
"created_at": "2022-09-04T14:42:48.746960Z",
"structure_string": "La1 Pm1 Ir2\n1.0\n0.000000 3.565816 3.565816\n3.565816 0.000000 3.565816\n3.565816 3.565816 0.000000\nLa Pm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"Ir"
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"chemical_system": "Ir-La-Pm",
"density": 12.238816509914715,
"density_atomic": 0.04411164032193929,
"volume": 90.6790128593465,
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"formula_full": "La1 Pm1 Ir2",
"formula_reduced": "LaPmIr2",
"formula_anonymous": "ABC2",
"energy": -29.75934696,
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"updated_at": "2021-11-28T01:35:52.941000Z",
"spacegroup": 225
},
{
"id": "mp-10163",
"created_at": "2022-09-04T14:39:42.871173Z",
"structure_string": "Na2 Al2 Te4\n1.0\n-4.154953 4.154953 3.437883\n4.154953 -4.154953 3.437883\n4.154953 4.154953 -3.437883\nNa Al Te\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Na\n0.750000 0.750000 0.000000 Na\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.173307 0.673307 0.846613 Te\n0.326693 0.173307 0.500000 Te\n0.673307 0.826693 0.500000 Te\n0.826693 0.326693 0.153387 Te\n",
"nsites": 8,
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"density": 4.2691309588580015,
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"volume": 237.40142133082387,
"volume_molar": 17.870809698478595,
"formula_full": "Na2 Al2 Te4",
"formula_reduced": "NaAlTe2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:41.445000Z",
"spacegroup": 140
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{
"id": "mp-1022592",
"created_at": "2022-09-04T14:42:28.192206Z",
"structure_string": "Mg12 Zn2 Bi2\n1.0\n5.338958 0.000000 0.000000\n0.000000 6.234583 0.000000\n0.000000 0.000000 11.020989\nMg Zn Bi\n12 2 2\ndirect\n0.000000 0.244177 0.080915 Mg\n0.000000 0.755823 0.080915 Mg\n0.000000 0.000000 0.331977 Mg\n0.500000 0.746063 0.412413 Mg\n0.500000 0.253937 0.412413 Mg\n0.500000 0.000000 0.167351 Mg\n0.000000 0.744177 0.580915 Mg\n0.000000 0.255823 0.580915 Mg\n0.000000 0.500000 0.831977 Mg\n0.500000 0.246063 0.912413 Mg\n0.500000 0.753937 0.912413 Mg\n0.500000 0.500000 0.667351 Mg\n0.000000 0.500000 0.349827 Zn\n0.000000 0.000000 0.849827 Zn\n0.500000 0.500000 0.164189 Bi\n0.500000 0.000000 0.664189 Bi\n",
"nsites": 16,
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"density": 3.804264522006937,
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"volume": 366.84658819418416,
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"formula_full": "Mg12 Zn2 Bi2",
"formula_reduced": "Mg6ZnBi",
"formula_anonymous": "ABC6",
"energy": -29.76370421,
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{
"id": "mp-1025520",
"created_at": "2022-09-04T14:39:26.335366Z",
"structure_string": "Ba2 In4 Pd2\n1.0\n2.314179 -5.919763 0.000000\n2.314179 5.919763 0.000000\n0.000000 0.000000 8.162638\nBa In Pd\n2 4 2\ndirect\n0.551139 0.448861 0.250000 Ba\n0.448861 0.551139 0.750000 Ba\n0.834543 0.165457 0.056981 In\n0.165457 0.834543 0.943019 In\n0.165457 0.834543 0.556981 In\n0.834543 0.165457 0.443019 In\n0.276927 0.723073 0.250000 Pd\n0.723073 0.276927 0.750000 Pd\n",
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{
"id": "mp-1078956",
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"structure_string": "Pt1 N4 Cl2 O1\n1.0\n5.752204 0.000000 0.000000\n0.000000 5.752204 0.000000\n0.000000 0.000000 3.017788\nPt N Cl O\n1 4 2 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.240535 0.240535 0.000000 N\n0.759465 0.759465 0.000000 N\n0.240535 0.759465 0.000000 N\n0.759465 0.240535 0.000000 N\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.500000 O\n",
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"volume": 99.85211926390326,
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"formula_full": "Pt1 N4 Cl2 O1",
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"updated_at": "2021-11-28T01:38:03.684000Z",
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{
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"created_at": "2022-09-04T14:40:17.245567Z",
"structure_string": "Pu1 Zr2\n1.0\n0.000000 0.000000 -2.949772\n-2.517217 -4.362561 0.000000\n-2.490306 4.347021 0.000000\nPu Zr\n1 2\ndirect\n0.500000 0.333187 0.666288 Pu\n0.000000 0.000529 0.001285 Zr\n0.500000 0.666185 0.332427 Zr\n",
"nsites": 3,
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"density": 11.008816315182466,
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"volume": 64.32422374936317,
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"formula_full": "Pu1 Zr2",
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"updated_at": "2021-11-28T01:34:55.026000Z",
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}
]
}