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{
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{
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{
"id": "mp-531826",
"created_at": "2022-09-04T14:47:45.301554Z",
"structure_string": "Li24 Pt12 O36\n1.0\n4.562335 2.637672 0.000000\n-4.562335 2.637672 0.000000\n0.000000 0.009954 29.020914\nLi Pt O\n24 12 36\ndirect\n0.333268 0.666732 0.000000 Li\n0.005121 0.337102 0.083176 Li\n0.662445 0.664529 0.083436 Li\n0.334325 0.999994 0.083130 Li\n0.332955 0.332597 0.166583 Li\n0.335779 0.664638 0.249998 Li\n0.000648 0.000450 0.249900 Li\n0.664033 0.335461 0.249953 Li\n0.666689 0.666669 0.333323 Li\n0.669221 0.997449 0.416666 Li\n0.333321 0.333298 0.416665 Li\n0.997472 0.669218 0.416667 Li\n0.000007 0.999993 0.500000 Li\n0.330782 0.002528 0.583333 Li\n0.666702 0.666679 0.583335 Li\n0.002551 0.330779 0.583334 Li\n0.333331 0.333311 0.666677 Li\n0.664539 0.335967 0.750047 Li\n0.999550 0.999352 0.750100 Li\n0.335362 0.664221 0.750002 Li\n0.667403 0.667045 0.833417 Li\n0.335471 0.337555 0.916564 Li\n0.662898 0.994879 0.916824 Li\n0.000006 0.665675 0.916870 Li\n0.666580 0.333420 0.000000 Pt\n0.000067 0.999933 0.000000 Pt\n0.666807 0.000225 0.166624 Pt\n0.000233 0.666972 0.166623 Pt\n0.000010 0.333268 0.333320 Pt\n0.333280 0.000006 0.333320 Pt\n0.333367 0.666633 0.500000 Pt\n0.666650 0.333350 0.500000 Pt\n0.666732 0.999990 0.666680 Pt\n0.999994 0.666720 0.666680 Pt\n0.999775 0.333193 0.833376 Pt\n0.333028 0.999767 0.833377 Pt\n0.332552 0.318591 0.039193 O\n0.679975 0.013709 0.038667 O\n0.985896 0.666246 0.038737 O\n0.333273 0.681177 0.127410 O\n0.680711 0.333473 0.127913 O\n0.986108 0.986343 0.127821 O\n0.681592 0.681146 0.205868 O\n0.985807 0.332925 0.205332 O\n0.333348 0.986184 0.205389 O\n0.666241 0.013785 0.294609 O\n0.013838 0.666213 0.294605 O\n0.319033 0.319051 0.294011 O\n0.014385 0.014373 0.372644 O\n0.319384 0.667016 0.372034 O\n0.667016 0.319377 0.372035 O\n0.999621 0.347209 0.461290 O\n0.347224 0.999604 0.461291 O\n0.652289 0.652271 0.460683 O\n0.347729 0.347711 0.539317 O\n0.652791 0.000379 0.538710 O\n0.000396 0.652776 0.538709 O\n0.680623 0.332984 0.627965 O\n0.332984 0.680616 0.627966 O\n0.985627 0.985615 0.627356 O\n0.680949 0.680967 0.705989 O\n0.333787 0.986162 0.705395 O\n0.986215 0.333759 0.705391 O\n0.013816 0.666652 0.794611 O\n0.667075 0.014193 0.794668 O\n0.318854 0.318408 0.794132 O\n0.013657 0.013892 0.872179 O\n0.318823 0.666727 0.872590 O\n0.666527 0.319289 0.872087 O\n0.986291 0.320025 0.961333 O\n0.333754 0.014104 0.961263 O\n0.681409 0.667448 0.960807 O\n",
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{
"id": "mp-1037467",
"created_at": "2022-09-04T14:44:18.473873Z",
"structure_string": "Mg30 Ti1 Ni1 O32\n1.0\n8.515822 0.000000 0.000000\n0.000000 8.515822 0.000000\n0.000000 0.000000 8.560973\nMg Ti Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.243881 0.243881 0.000000 Mg\n0.243881 0.756119 0.000000 Mg\n0.756119 0.243881 0.000000 Mg\n0.756119 0.756119 0.000000 Mg\n0.248486 0.248486 0.500000 Mg\n0.248486 0.751514 0.500000 Mg\n0.751514 0.248486 0.500000 Mg\n0.751514 0.751514 0.500000 Mg\n0.000000 0.246147 0.248817 Mg\n0.000000 0.753853 0.248817 Mg\n0.500000 0.247021 0.252356 Mg\n0.500000 0.752979 0.252356 Mg\n0.000000 0.246147 0.751183 Mg\n0.000000 0.753853 0.751183 Mg\n0.500000 0.247021 0.747644 Mg\n0.500000 0.752979 0.747644 Mg\n0.246147 0.000000 0.248817 Mg\n0.247021 0.500000 0.252356 Mg\n0.753853 0.000000 0.248817 Mg\n0.752979 0.500000 0.252356 Mg\n0.246147 0.000000 0.751183 Mg\n0.247021 0.500000 0.747644 Mg\n0.753853 0.000000 0.751183 Mg\n0.752979 0.500000 0.747644 Mg\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.266712 O\n0.000000 0.500000 0.249969 O\n0.500000 0.000000 0.249969 O\n0.500000 0.500000 0.248702 O\n0.000000 0.000000 0.733288 O\n0.000000 0.500000 0.750031 O\n0.500000 0.000000 0.750031 O\n0.500000 0.500000 0.751298 O\n0.250543 0.250543 0.248988 O\n0.250543 0.749457 0.248988 O\n0.749457 0.250543 0.248988 O\n0.749457 0.749457 0.248988 O\n0.250543 0.250543 0.751012 O\n0.250543 0.749457 0.751012 O\n0.749457 0.250543 0.751012 O\n0.749457 0.749457 0.751012 O\n0.000000 0.261431 0.000000 O\n0.000000 0.738569 0.000000 O\n0.500000 0.256743 0.000000 O\n0.500000 0.743257 0.000000 O\n0.000000 0.253306 0.500000 O\n0.000000 0.746694 0.500000 O\n0.500000 0.251455 0.500000 O\n0.500000 0.748545 0.500000 O\n0.261431 0.000000 0.000000 O\n0.256743 0.500000 0.000000 O\n0.738569 0.000000 0.000000 O\n0.743257 0.500000 0.000000 O\n0.253306 0.000000 0.500000 O\n0.251455 0.500000 0.500000 O\n0.746694 0.000000 0.500000 O\n0.748545 0.500000 0.500000 O\n",
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{
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{
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{
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"structure_string": "Al2 Cu2 O6\n1.0\n1.579118 -2.735113 0.000000\n1.579118 2.735113 0.000000\n0.000000 0.000000 11.229472\nAl Cu O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.423632 O\n0.666667 0.333333 0.923632 O\n0.666667 0.333333 0.576368 O\n0.333333 0.666667 0.076368 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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"structure_string": "Mg30 V1 Zn1 O32\n1.0\n8.530480 0.000000 0.000000\n0.000000 8.530480 0.000000\n0.000000 0.000000 8.530673\nMg V Zn O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249433 0.249433 0.000000 Mg\n0.249433 0.750567 0.000000 Mg\n0.750567 0.249433 0.000000 Mg\n0.750567 0.750567 0.000000 Mg\n0.250009 0.250009 0.500000 Mg\n0.250009 0.749991 0.500000 Mg\n0.749991 0.250009 0.500000 Mg\n0.749991 0.749991 0.500000 Mg\n0.000000 0.250027 0.249919 Mg\n0.000000 0.749973 0.249919 Mg\n0.500000 0.249415 0.250490 Mg\n0.500000 0.750585 0.250490 Mg\n0.000000 0.250027 0.750081 Mg\n0.000000 0.749973 0.750081 Mg\n0.500000 0.249415 0.749510 Mg\n0.500000 0.750585 0.749510 Mg\n0.250027 0.000000 0.249919 Mg\n0.249415 0.500000 0.250490 Mg\n0.749973 0.000000 0.249919 Mg\n0.750585 0.500000 0.250490 Mg\n0.250027 0.000000 0.750081 Mg\n0.249415 0.500000 0.749510 Mg\n0.749973 0.000000 0.750081 Mg\n0.750585 0.500000 0.749510 Mg\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.253468 O\n0.000000 0.500000 0.250586 O\n0.500000 0.000000 0.250586 O\n0.500000 0.500000 0.254934 O\n0.000000 0.000000 0.746532 O\n0.000000 0.500000 0.749414 O\n0.500000 0.000000 0.749414 O\n0.500000 0.500000 0.745066 O\n0.250030 0.250030 0.249611 O\n0.250030 0.749970 0.249611 O\n0.749970 0.250030 0.249611 O\n0.749970 0.749970 0.249611 O\n0.250030 0.250030 0.750389 O\n0.250030 0.749970 0.750389 O\n0.749970 0.250030 0.750389 O\n0.749970 0.749970 0.750389 O\n0.000000 0.252911 0.000000 O\n0.000000 0.747089 0.000000 O\n0.500000 0.245261 0.000000 O\n0.500000 0.754739 0.000000 O\n0.000000 0.250095 0.500000 O\n0.000000 0.749905 0.500000 O\n0.500000 0.249629 0.500000 O\n0.500000 0.750371 0.500000 O\n0.252911 0.000000 0.000000 O\n0.245261 0.500000 0.000000 O\n0.747089 0.000000 0.000000 O\n0.754739 0.500000 0.000000 O\n0.250095 0.000000 0.500000 O\n0.249629 0.500000 0.500000 O\n0.749905 0.000000 0.500000 O\n0.750371 0.500000 0.500000 O\n",
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"elements": [
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],
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"formula_full": "Mg30 V1 Zn1 O32",
"formula_reduced": "Mg30VZnO32",
"formula_anonymous": "ABC30D32",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -383.63632994,
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"updated_at": "2021-11-28T01:38:30.032000Z",
"spacegroup": 123
},
{
"id": "mp-1177761",
"created_at": "2022-09-04T14:40:18.256668Z",
"structure_string": "Li3 Fe2 Co2 O8\n1.0\n2.974886 5.086251 0.000000\n-2.974886 5.086251 0.000000\n0.000000 3.372334 4.807545\nLi Fe Co O\n3 2 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.784765 0.223214 0.757236 O\n0.229271 0.229271 0.761966 O\n0.776786 0.215235 0.242764 O\n0.245485 0.245485 0.268435 O\n0.754515 0.754515 0.731565 O\n0.223214 0.784765 0.757236 O\n0.770729 0.770729 0.238034 O\n0.215235 0.776786 0.242764 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Fe-Li-O",
"density": 4.318665735725522,
"density_atomic": 0.10310264081785617,
"volume": 145.4860892118117,
"volume_molar": 5.840918052369651,
"formula_full": "Li3 Fe2 Co2 O8",
"formula_reduced": "Li3Fe2(CoO4)2",
"formula_anonymous": "A2B2C3D8",
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"updated_at": "2021-11-28T01:35:02.495000Z",
"spacegroup": 12
}
]
}