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{
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{
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"structure_string": "Li4 Fe4 Si4 O16\n1.0\n6.167561 0.000000 0.000000\n0.000000 5.420229 0.000000\n0.000000 3.617313 10.063739\nLi Fe Si O\n4 4 4 16\ndirect\n0.580274 0.465101 0.279062 Li\n0.080274 0.534899 0.220938 Li\n0.919726 0.465101 0.779062 Li\n0.419726 0.534899 0.720938 Li\n0.649110 0.943371 0.895178 Fe\n0.149110 0.056629 0.604822 Fe\n0.850890 0.943371 0.395178 Fe\n0.350890 0.056629 0.104822 Fe\n0.638415 0.115628 0.630610 Si\n0.138415 0.884372 0.869390 Si\n0.861585 0.115628 0.130610 Si\n0.361585 0.884372 0.369390 Si\n0.660092 0.275510 0.739658 O\n0.129439 0.186208 0.758899 O\n0.420759 0.211622 0.540262 O\n0.853556 0.152143 0.531565 O\n0.353556 0.847857 0.968435 O\n0.920759 0.788378 0.959738 O\n0.839908 0.275510 0.239658 O\n0.370561 0.186208 0.258899 O\n0.629439 0.813792 0.741101 O\n0.160092 0.724490 0.760342 O\n0.079241 0.211622 0.040262 O\n0.646444 0.152143 0.031565 O\n0.146444 0.847857 0.468435 O\n0.579241 0.788378 0.459738 O\n0.870561 0.813792 0.241101 O\n0.339908 0.724490 0.260342 O\n",
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.057619287892643,
"density_atomic": 0.08322763949671445,
"volume": 336.4266987423733,
"volume_molar": 7.235746197316739,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"energy_per_atom": -7.529892903214285,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -190.82100129,
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"updated_at": "2021-11-28T01:35:02.746000Z",
"spacegroup": 14
},
{
"id": "mp-1238771",
"created_at": "2022-09-04T14:40:16.647446Z",
"structure_string": "Li2 Ce1 Sm1 Mo4 O16\n1.0\n5.307723 0.000000 0.000000\n0.000000 5.307723 0.000000\n0.000000 0.000000 11.425429\nLi Ce Sm Mo O\n2 1 1 4 16\ndirect\n0.000000 0.500000 0.750327 Li\n0.500000 0.000000 0.249673 Li\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.754093 Mo\n0.000000 0.500000 0.245907 Mo\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.352395 0.247619 0.839027 O\n0.856956 0.741207 0.335104 O\n0.647605 0.752381 0.839027 O\n0.143044 0.258793 0.335104 O\n0.748632 0.646117 0.584133 O\n0.243462 0.154835 0.084138 O\n0.251368 0.353883 0.584133 O\n0.756538 0.845165 0.084138 O\n0.154835 0.756538 0.915862 O\n0.646117 0.251368 0.415867 O\n0.845165 0.243462 0.915862 O\n0.353883 0.748632 0.415867 O\n0.752381 0.352395 0.160973 O\n0.258793 0.856956 0.664896 O\n0.247619 0.647605 0.160973 O\n0.741207 0.143044 0.664896 O\n",
"nsites": 24,
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"elements": [
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"Ce",
"Sm",
"Mo",
"O"
],
"chemical_system": "Ce-Li-Mo-O-Sm",
"density": 4.870594160511783,
"density_atomic": 0.07456280307533913,
"volume": 321.8763111111866,
"volume_molar": 8.07660188675466,
"formula_full": "Li2 Ce1 Sm1 Mo4 O16",
"formula_reduced": "Li2CeSm(MoO4)4",
"formula_anonymous": "ABC2D4E16",
"energy": -196.63358814,
"energy_per_atom": -8.1930661725,
"energy_above_hull": null,
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"energy_uncorrected": -172.83358814,
"band_gap": 0.1394999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.859000Z",
"spacegroup": 81
},
{
"id": "mp-1233742",
"created_at": "2022-09-04T14:40:19.198701Z",
"structure_string": "Rb2 Mg1 Nb2 Te2 O12\n1.0\n-5.321603 0.110437 -5.392030\n5.410327 -5.407280 0.044052\n-5.257792 -5.269968 0.049565\nRb Mg Nb Te O\n2 1 2 2 12\ndirect\n0.802289 0.398414 0.385932 Rb\n0.341939 0.789415 0.560706 Rb\n0.056095 0.253706 0.801705 Mg\n0.472637 0.485077 0.969634 Nb\n0.500298 0.002036 0.015251 Nb\n0.009569 0.005508 0.493046 Te\n0.922758 0.856601 0.070572 Te\n0.799430 0.834773 0.380268 O\n0.539960 0.272511 0.897422 O\n0.182505 0.826671 0.973262 O\n0.167386 0.261488 0.263062 O\n0.311415 0.460983 0.837230 O\n0.229400 0.931370 0.308432 O\n0.215544 0.144160 0.595593 O\n0.439209 0.725861 0.074786 O\n0.743456 0.146789 0.075011 O\n0.821280 0.729772 0.712306 O\n0.674413 0.569432 0.141748 O\n0.797201 0.091147 0.684776 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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],
"chemical_system": "Mg-Nb-O-Rb-Te",
"density": 4.477412409771483,
"density_atomic": 0.061854623974244766,
"volume": 307.17186168509056,
"volume_molar": 9.73595888725719,
"formula_full": "Rb2 Mg1 Nb2 Te2 O12",
"formula_reduced": "Rb2MgNb2(TeO6)2",
"formula_anonymous": "AB2C2D2E12",
"energy": -133.18047669,
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"total_magnetization": 5.6e-06,
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"updated_at": "2021-11-28T01:34:54.251000Z",
"spacegroup": 1
}
]
}