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{
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{
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{
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{
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"structure_string": "Y4 V13 Si2 Sb2 O28\n1.0\n5.738316 -0.076694 1.398196\n1.651890 8.937427 0.393389\n0.018955 -0.050348 12.418642\nY V Si Sb O\n4 13 2 2 28\ndirect\n0.084931 0.658813 0.410934 Y\n0.503116 0.340159 0.412697 Y\n0.914868 0.340796 0.588167 Y\n0.497709 0.659399 0.587554 Y\n0.903240 0.643202 0.735864 V\n0.644072 0.342357 0.120273 V\n0.356958 0.358084 0.735728 V\n0.092816 0.357153 0.264836 V\n0.353450 0.657540 0.881040 V\n0.288668 0.999531 0.423648 V\n0.235236 0.656157 0.122719 V\n0.999009 0.000245 0.000041 V\n0.425629 0.000370 0.145285 V\n0.763170 0.342928 0.880523 V\n0.639010 0.644822 0.263680 V\n0.576079 0.998184 0.852469 V\n0.712354 0.999584 0.575792 V\n0.233390 0.309527 0.000535 Si\n0.765598 0.691197 0.000357 Si\n0.862149 0.000988 0.282267 Sb\n0.147959 0.000241 0.716832 Sb\n0.744331 0.385924 0.258195 O\n0.123314 0.391425 0.419811 O\n0.952851 0.351344 0.000447 O\n0.309011 0.127691 0.000814 O\n0.878412 0.608435 0.579257 O\n0.255100 0.611618 0.741711 O\n0.023633 0.105475 0.573321 O\n0.978145 0.894374 0.425372 O\n0.688173 0.873242 0.999495 O\n0.176478 0.883283 0.128433 O\n0.293071 0.390364 0.107286 O\n0.986322 0.610953 0.260374 O\n0.404784 0.894998 0.572244 O\n0.692800 0.117818 0.128053 O\n0.602365 0.611254 0.109066 O\n0.045109 0.649805 0.000452 O\n0.304878 0.883413 0.871950 O\n0.821513 0.117456 0.871526 O\n0.596292 0.105087 0.426308 O\n0.184740 0.123927 0.274360 O\n0.806884 0.874788 0.725420 O\n0.399754 0.388651 0.893170 O\n0.447668 0.124814 0.723628 O\n0.541905 0.392307 0.580412 O\n0.703829 0.610139 0.894425 O\n0.543906 0.873147 0.273907 O\n0.001898 0.389072 0.742206 O\n0.460274 0.607366 0.418483 O\n",
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"structure_string": "Li8 Cu8 P8 O32\n1.0\n4.942762 0.000000 0.000000\n0.000000 9.829878 0.000000\n0.000000 0.000000 14.003398\nLi Cu P O\n8 8 8 32\ndirect\n0.052531 0.033226 0.248183 Li\n0.561387 0.220169 0.996810 Li\n0.561387 0.279831 0.496810 Li\n0.052531 0.466774 0.748183 Li\n0.947469 0.533226 0.248183 Li\n0.438613 0.720169 0.996810 Li\n0.438613 0.779831 0.496810 Li\n0.947469 0.966774 0.748183 Li\n0.945536 0.025591 0.500093 Cu\n0.544553 0.227383 0.247309 Cu\n0.544553 0.272617 0.747309 Cu\n0.945536 0.474409 0.000093 Cu\n0.054464 0.525591 0.500093 Cu\n0.455447 0.727383 0.247309 Cu\n0.455447 0.772617 0.747309 Cu\n0.054464 0.974409 0.000093 Cu\n0.441225 0.032435 0.623483 P\n0.068692 0.214702 0.872787 P\n0.068692 0.285298 0.372787 P\n0.441225 0.467565 0.123483 P\n0.558775 0.532435 0.623483 P\n0.931308 0.714702 0.872787 P\n0.931308 0.785298 0.372787 P\n0.558775 0.967565 0.123483 P\n0.871696 0.989587 0.123819 O\n0.559414 0.966607 0.531848 O\n0.442030 0.032276 0.215661 O\n0.018103 0.057857 0.873890 O\n0.512280 0.186347 0.622254 O\n0.943497 0.225156 0.465263 O\n0.942637 0.274116 0.780571 O\n0.376706 0.246664 0.872429 O\n0.376706 0.253336 0.372429 O\n0.942637 0.225884 0.280571 O\n0.943497 0.274844 0.965263 O\n0.512280 0.313653 0.122254 O\n0.018103 0.442143 0.373890 O\n0.442030 0.467724 0.715661 O\n0.559414 0.533393 0.031848 O\n0.871696 0.510413 0.623819 O\n0.128304 0.489587 0.123819 O\n0.440586 0.466607 0.531848 O\n0.557970 0.532276 0.215661 O\n0.981897 0.557857 0.873890 O\n0.487720 0.686347 0.622254 O\n0.056503 0.725156 0.465263 O\n0.057363 0.774116 0.780571 O\n0.623294 0.746664 0.872429 O\n0.623294 0.753336 0.372429 O\n0.057363 0.725884 0.280571 O\n0.056503 0.774844 0.965263 O\n0.487720 0.813653 0.122254 O\n0.981897 0.942143 0.373890 O\n0.557970 0.967724 0.715661 O\n0.440586 0.033393 0.031848 O\n0.128304 0.010413 0.623819 O\n",
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"elements": [
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],
"chemical_system": "Cu-Li-O-P",
"density": 3.2305505850410245,
"density_atomic": 0.08230699910771752,
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"formula_full": "Li8 Cu8 P8 O32",
"formula_reduced": "LiCuPO4",
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"formation_energy": null,
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"energy_uncorrected": -350.1657432,
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"updated_at": "2021-11-28T01:35:53.262000Z",
"spacegroup": 29
},
{
"id": "mp-862970",
"created_at": "2022-09-04T14:42:39.888557Z",
"structure_string": "Pm1 Tl3\n1.0\n4.825488 0.000000 0.000000\n0.000000 4.825488 0.000000\n0.000000 0.000000 4.825488\nPm Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n",
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"elements": [
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],
"chemical_system": "Pm-Tl",
"density": 11.204189862327446,
"density_atomic": 0.03559887482727002,
"volume": 112.36310190725062,
"volume_molar": 16.916660397892194,
"formula_full": "Pm1 Tl3",
"formula_reduced": "PmTl3",
"formula_anonymous": "AB3",
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -13.07359901,
"band_gap": 0.0,
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"is_magnetic": false,
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"updated_at": "2021-11-28T01:35:53.300000Z",
"spacegroup": 221
},
{
"id": "mp-1222541",
"created_at": "2022-09-04T14:42:39.896998Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.106205 0.000000 0.000000\n0.000000 8.525573 0.000000\n0.000000 6.463415 8.288871\nLi Fe Si O\n4 4 4 16\ndirect\n0.929372 0.995229 0.156887 Li\n0.070628 0.995229 0.656887 Li\n0.555333 0.500681 0.099794 Li\n0.444667 0.500681 0.599794 Li\n0.567931 0.003444 0.839516 Fe\n0.432069 0.003444 0.339516 Fe\n0.933985 0.501491 0.904454 Fe\n0.066015 0.501491 0.404454 Fe\n0.931404 0.750683 0.530353 Si\n0.068596 0.750683 0.030353 Si\n0.567883 0.249282 0.469174 Si\n0.432117 0.249282 0.969174 Si\n0.566778 0.450337 0.930263 O\n0.433222 0.450337 0.430263 O\n0.959310 0.550823 0.057125 O\n0.040690 0.550823 0.557125 O\n0.887107 0.261547 0.483923 O\n0.112893 0.261547 0.983923 O\n0.611551 0.766317 0.503860 O\n0.388449 0.766317 0.003860 O\n0.067421 0.946353 0.365646 O\n0.932579 0.946353 0.865646 O\n0.453889 0.054641 0.644076 O\n0.546111 0.054641 0.144076 O\n0.993039 0.734616 0.190688 O\n0.006961 0.734616 0.690688 O\n0.504248 0.234555 0.824241 O\n0.495752 0.234555 0.324241 O\n",
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],
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"formula_full": "Li4 Fe4 Si4 O16",
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"updated_at": "2021-11-28T01:36:04.431000Z",
"spacegroup": 7
}
]
}