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{
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{
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{
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{
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{
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{
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{
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},
{
"id": "mp-1046414",
"created_at": "2022-09-04T14:40:17.486400Z",
"structure_string": "Sr2 Mg2 Cr2 P4 O16\n1.0\n5.544207 -0.039596 -1.135800\n-1.486221 6.254638 -2.358553\n-0.106489 0.049680 9.374285\nSr Mg Cr P O\n2 2 2 4 16\ndirect\n0.257131 0.802462 0.054569 Sr\n0.742869 0.197538 0.945431 Sr\n0.992728 0.391998 0.648435 Mg\n0.007272 0.608002 0.351565 Mg\n0.640968 0.843557 0.548462 Cr\n0.359032 0.156443 0.451538 Cr\n0.390820 0.423442 0.235185 P\n0.609180 0.576558 0.764815 P\n0.837700 0.022818 0.298256 P\n0.162300 0.977182 0.701744 P\n0.820541 0.555247 0.889962 O\n0.653301 0.477708 0.212764 O\n0.661529 0.802297 0.760165 O\n0.953245 0.107883 0.687791 O\n0.346699 0.522292 0.787236 O\n0.036040 0.740897 0.585728 O\n0.963960 0.259103 0.414272 O\n0.261699 0.002144 0.872776 O\n0.338471 0.197703 0.239835 O\n0.738301 0.997856 0.127224 O\n0.179459 0.444753 0.110038 O\n0.366838 0.584072 0.395242 O\n0.633162 0.415928 0.604758 O\n0.621354 0.928929 0.353199 O\n0.046755 0.892117 0.312209 O\n0.378646 0.071070 0.646801 O\n",
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"elements": [
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"O"
],
"chemical_system": "Cr-Mg-O-P-Sr",
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"density_atomic": 0.08012634305153254,
"volume": 324.4875406740868,
"volume_molar": 7.5158063261752925,
"formula_full": "Sr2 Mg2 Cr2 P4 O16",
"formula_reduced": "SrMgCr(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -203.09811054,
"energy_per_atom": -7.81146579,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -188.10811054,
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"updated_at": "2021-11-28T01:34:54.615000Z",
"spacegroup": 2
},
{
"id": "mp-997008",
"created_at": "2022-09-04T14:40:17.492468Z",
"structure_string": "Tl2 Au2 O4\n1.0\n1.769783 -3.065354 0.000000\n1.769783 3.065354 0.000000\n0.000000 0.000000 12.664850\nTl Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.588317 O\n0.333333 0.666667 0.088317 O\n0.666667 0.333333 0.911683 O\n0.333333 0.666667 0.411683 O\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Au-O-Tl",
"density": 10.473355833976052,
"density_atomic": 0.05821826865568825,
"volume": 137.41391121253062,
"volume_molar": 10.344073946300021,
"formula_full": "Tl2 Au2 O4",
"formula_reduced": "TlAuO2",
"formula_anonymous": "ABC2",
"energy": -37.23902285,
"energy_per_atom": -4.65487785625,
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"energy_uncorrected": -34.49102285,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:49.835000Z",
"spacegroup": 194
}
]
}