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{
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"results": [
{
"id": "mp-1221659",
"created_at": "2022-09-04T14:43:58.613383Z",
"structure_string": "Mn1 Fe1 Pt2\n1.0\n2.661196 0.000000 0.000000\n0.000000 2.661196 0.000000\n0.000000 0.000000 7.446962\nMn Fe Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.749394 Pt\n0.500000 0.500000 0.250606 Pt\n",
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{
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"spacegroup": 194
},
{
"id": "mp-8220",
"created_at": "2022-09-04T14:46:17.461388Z",
"structure_string": "Li1 Tb1 Cu2 P2\n1.0\n1.994416 -3.454429 0.000000\n1.994416 3.454429 0.000000\n0.000000 0.000000 6.589894\nLi Tb Cu P\n1 1 2 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.668067 Cu\n0.666667 0.333333 0.331933 Cu\n0.333333 0.666667 0.262492 P\n0.666667 0.333333 0.737508 P\n",
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"formula_full": "Li1 Tb1 Cu2 P2",
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"updated_at": "2021-11-28T01:37:32.024000Z",
"spacegroup": 164
},
{
"id": "mp-1026895",
"created_at": "2022-09-04T14:41:36.115564Z",
"structure_string": "Mg14 Cu1 Bi1\n1.0\n6.314339 0.000000 -0.000000\n-3.157169 5.468377 -0.000000\n-0.000000 0.000000 10.387011\nMg Cu Bi\n14 1 1\ndirect\n0.161615 0.830807 0.125000 Mg\n0.167278 0.833638 0.625000 Mg\n0.669193 0.338385 0.125000 Mg\n0.666362 0.332722 0.625000 Mg\n0.669193 0.830807 0.125000 Mg\n0.666362 0.833638 0.625000 Mg\n0.332130 0.167870 0.356345 Mg\n0.332130 0.167870 0.893655 Mg\n0.332130 0.664261 0.356345 Mg\n0.332130 0.664261 0.893655 Mg\n0.835739 0.167870 0.356345 Mg\n0.835739 0.167870 0.893655 Mg\n0.833333 0.666667 0.373700 Mg\n0.833333 0.666667 0.876300 Mg\n0.166667 0.333333 0.125000 Cu\n0.166667 0.333333 0.625000 Bi\n",
"nsites": 16,
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"elements": [
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"density": 2.837189663265689,
"density_atomic": 0.044611111999763774,
"volume": 358.6550364421475,
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"formula_full": "Mg14 Cu1 Bi1",
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"updated_at": "2021-11-28T01:35:28.117000Z",
"spacegroup": 187
},
{
"id": "mp-1224754",
"created_at": "2022-09-04T14:45:30.951850Z",
"structure_string": "Fe3 Pd1\n1.0\n1.498045 -2.101420 0.000000\n1.498045 2.101420 0.000000\n0.000000 0.000000 8.226071\nFe Pd\n3 1\ndirect\n0.500000 0.500000 0.736938 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.263062 Fe\n0.000000 0.000000 0.000000 Pd\n",
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"density": 8.783511186064345,
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"volume": 51.7917004206876,
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"formula_full": "Fe3 Pd1",
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"formula_anonymous": "AB3",
"energy": -30.38714243,
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"updated_at": "2021-11-28T01:36:55.632000Z",
"spacegroup": 65
},
{
"id": "mp-1221620",
"created_at": "2022-09-04T14:39:28.596821Z",
"structure_string": "Mn1 Al1 Fe2\n1.0\n0.000000 2.908042 2.908042\n2.908042 0.000000 2.908042\n2.908042 2.908042 0.000000\nMn Al Fe\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Fe-Mn",
"density": 6.536479882137167,
"density_atomic": 0.0813257302801026,
"volume": 49.184925683706425,
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"formula_full": "Mn1 Al1 Fe2",
"formula_reduced": "MnAlFe2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.127000Z",
"spacegroup": 216
},
{
"id": "mp-1206852",
"created_at": "2022-09-04T14:41:47.962488Z",
"structure_string": "Nd2 Al2 Ge2\n1.0\n4.274747 0.000000 0.000000\n0.000000 4.274747 0.000000\n-2.137373 -2.137373 7.376674\nNd Al Ge\n2 2 2\ndirect\n0.581538 0.581538 0.163076 Nd\n0.831538 0.331538 0.663076 Nd\n0.165871 0.165871 0.331741 Al\n0.415871 0.915871 0.831741 Al\n0.999591 0.999591 0.999182 Ge\n0.249591 0.749591 0.499182 Ge\n",
"nsites": 6,
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"density": 6.008202216196515,
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"volume": 134.7973713910604,
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"formula_full": "Nd2 Al2 Ge2",
"formula_reduced": "NdAlGe",
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"updated_at": "2021-11-28T01:35:25.989000Z",
"spacegroup": 109
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{
"id": "mp-997047",
"created_at": "2022-09-04T14:41:13.685195Z",
"structure_string": "Ag2 Br2 O4\n1.0\n3.596241 0.000000 0.000000\n0.000000 4.215010 0.000000\n0.000000 1.087749 10.994881\nAg Br O\n2 2 4\ndirect\n0.750000 0.852496 0.905771 Ag\n0.250000 0.147504 0.094229 Ag\n0.750000 0.635479 0.159895 Br\n0.250000 0.364521 0.840105 Br\n0.750000 0.197778 0.525654 O\n0.250000 0.071621 0.419829 O\n0.750000 0.928379 0.580171 O\n0.250000 0.802222 0.474346 O\n",
"nsites": 8,
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"elements": [
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"Br",
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],
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"density": 4.379369070653832,
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"volume": 166.66251476780144,
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"formula_full": "Ag2 Br2 O4",
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"updated_at": "2021-11-28T01:35:16.149000Z",
"spacegroup": 11
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{
"id": "mp-607298",
"created_at": "2022-09-04T14:40:17.306325Z",
"structure_string": "Cs2 Pd1 I2 Cl4\n1.0\n-4.196861 4.196861 4.523081\n4.196861 -4.196861 4.523081\n4.196861 4.196861 -4.523081\nCs Pd I Cl\n2 1 2 4\ndirect\n0.750000 0.250000 0.500000 Cs\n0.250000 0.750000 0.500000 Cs\n0.000000 0.000000 0.000000 Pd\n0.657760 0.657760 0.000000 I\n0.342240 0.342240 0.000000 I\n0.196688 0.803312 0.000000 Cl\n0.196688 0.196688 0.393376 Cl\n0.803312 0.196688 0.000000 Cl\n0.803312 0.803312 0.606624 Cl\n",
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"I",
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"volume": 318.67172246717365,
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"formula_full": "Cs2 Pd1 I2 Cl4",
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{
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"structure_string": "Sr6 Eu2\n1.0\n4.204379 -7.282198 0.000000\n4.204379 7.282198 0.000000\n0.000000 0.000000 6.931821\nSr Eu\n6 2\ndirect\n0.167891 0.335781 0.250000 Sr\n0.664219 0.832109 0.250000 Sr\n0.167891 0.832109 0.250000 Sr\n0.832109 0.664219 0.750000 Sr\n0.335781 0.167891 0.750000 Sr\n0.832109 0.167891 0.750000 Sr\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n",
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{
"id": "mp-37036",
"created_at": "2022-09-04T14:41:29.854671Z",
"structure_string": "Bi2 O3\n1.0\n3.727763 0.000000 0.000000\n0.000000 4.319190 0.000000\n0.000000 0.265150 5.710471\nBi O\n2 3\ndirect\n0.000000 0.956483 0.035773 Bi\n0.500000 0.518838 0.480068 Bi\n0.000000 0.496315 0.212196 O\n0.000000 0.709706 0.686186 O\n0.500000 0.960658 0.264777 O\n",
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"volume": 91.94381772870119,
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{
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"structure_string": "Zr2 P1 S2\n1.0\n2.869381 0.000000 0.000000\n0.000000 2.869381 0.000000\n0.000000 0.000000 14.571119\nZr P S\n2 1 2\ndirect\n0.500000 0.500000 0.178077 Zr\n0.500000 0.500000 0.821923 Zr\n0.500000 0.500000 0.000000 P\n0.500000 0.500000 0.653226 S\n0.500000 0.500000 0.346774 S\n",
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"density": 3.8417026280465594,
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"volume": 119.96908361411039,
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"formula_full": "Zr2 P1 S2",
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"energy": -30.37375467,
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}
]
}