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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:44:14.372390Z",
"structure_string": "Sr1 Eu1 P2 Pt2\n1.0\n2.075793 -3.595379 0.000000\n2.075793 3.595379 0.000000\n0.000000 0.000000 8.883230\nSr Eu P Pt\n1 1 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.762521 P\n0.333333 0.666667 0.237479 P\n0.666667 0.333333 0.243502 Pt\n0.333333 0.666667 0.756498 Pt\n",
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{
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"structure_string": "Li4 Fe1 Te3 O12\n1.0\n8.638353 0.000000 0.000000\n0.000000 5.048447 0.000000\n0.000000 0.094453 5.226872\nLi Fe Te O\n4 1 3 12\ndirect\n0.287520 0.000000 0.000000 Li\n0.151591 0.500000 0.000000 Li\n0.700672 0.000000 0.500000 Li\n0.821965 0.500000 0.500000 Li\n0.896493 0.000000 0.000000 Fe\n0.393121 0.500000 0.500000 Te\n0.598949 0.500000 0.000000 Te\n0.074813 0.000000 0.500000 Te\n0.743677 0.264767 0.845208 O\n0.423444 0.293591 0.837986 O\n0.078992 0.199271 0.809888 O\n0.572067 0.707061 0.677445 O\n0.912287 0.798806 0.671951 O\n0.236430 0.765491 0.665716 O\n0.236430 0.234509 0.334284 O\n0.912287 0.201194 0.328049 O\n0.572067 0.292939 0.322555 O\n0.078992 0.800729 0.190112 O\n0.423444 0.706409 0.162014 O\n0.743677 0.735233 0.154792 O\n",
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{
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{
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{
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{
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"structure_string": "Li4 Fe6 O12\n1.0\n0.000000 4.510520 8.581765\n2.866078 0.000000 8.581765\n2.866078 4.510520 0.000000\nLi Fe O\n4 6 12\ndirect\n0.419711 0.419711 0.080289 Li\n0.080289 0.080289 0.419711 Li\n0.169711 0.169711 0.830289 Li\n0.830289 0.830289 0.169711 Li\n0.913347 0.913347 0.586653 Fe\n0.000000 0.000000 0.000000 Fe\n0.586653 0.586653 0.913347 Fe\n0.663347 0.663347 0.336653 Fe\n0.250000 0.250000 0.250000 Fe\n0.336653 0.336653 0.663347 Fe\n0.128335 0.698265 0.820908 O\n0.698265 0.128335 0.352492 O\n0.217364 0.782636 0.217364 O\n0.820908 0.352492 0.128335 O\n0.782636 0.217364 0.782636 O\n0.352492 0.820908 0.698265 O\n0.429092 0.897508 0.121665 O\n0.897508 0.429092 0.551735 O\n0.032636 0.467364 0.032636 O\n0.467364 0.032636 0.467364 O\n0.551735 0.121665 0.897508 O\n0.121665 0.551735 0.429092 O\n",
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"elements": [
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"Fe",
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],
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"density_atomic": 0.09915199319724564,
"volume": 221.88157081456575,
"volume_molar": 6.07364568861465,
"formula_full": "Li4 Fe6 O12",
"formula_reduced": "Li2(FeO2)3",
"formula_anonymous": "A2B3C6",
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"updated_at": "2021-11-28T01:36:32.031000Z",
"spacegroup": 70
},
{
"id": "mp-1365501",
"created_at": "2022-09-04T14:44:27.524502Z",
"structure_string": "V16 Zn8 O32\n1.0\n3.038573 5.271560 0.000000\n-3.038573 5.271560 0.000000\n0.000000 3.243129 19.838462\nV Zn O\n16 8 32\ndirect\n0.376041 0.870528 0.874846 V\n0.249459 0.249459 0.748791 V\n0.870528 0.376041 0.874846 V\n0.347732 0.347732 0.467439 V\n0.123333 0.622765 0.625079 V\n0.902911 0.902911 0.781000 V\n0.098340 0.098340 0.218414 V\n0.622765 0.123333 0.625079 V\n0.874570 0.375222 0.375544 V\n0.649834 0.649834 0.534150 V\n0.375222 0.874570 0.375544 V\n0.124602 0.627951 0.125186 V\n0.627951 0.124602 0.125186 V\n0.401593 0.401593 0.282874 V\n0.502052 0.502052 0.998472 V\n0.154401 0.154401 0.030296 V\n0.847753 0.847753 0.968871 Zn\n0.375490 0.375490 0.874670 Zn\n0.599345 0.599345 0.717908 Zn\n0.124394 0.124394 0.625688 Zn\n0.874443 0.874443 0.375645 Zn\n0.000916 0.000916 0.500087 Zn\n0.627567 0.627567 0.124989 Zn\n0.748425 0.748425 0.250371 Zn\n0.684974 0.215112 0.935613 O\n0.566229 0.566229 0.819732 O\n0.215112 0.684974 0.935613 O\n0.674516 0.674516 0.937431 O\n0.072793 0.072793 0.811849 O\n0.431331 0.965919 0.685247 O\n0.540863 0.060789 0.814057 O\n0.315726 0.315726 0.565398 O\n0.965919 0.431331 0.685247 O\n0.182987 0.182987 0.931341 O\n0.423082 0.423082 0.685497 O\n0.060789 0.540863 0.814057 O\n0.184803 0.706795 0.434672 O\n0.814543 0.814543 0.569183 O\n0.294527 0.809938 0.566022 O\n0.070204 0.070204 0.317726 O\n0.706795 0.184803 0.434672 O\n0.933352 0.933352 0.683419 O\n0.183205 0.183205 0.433152 O\n0.809938 0.294527 0.566022 O\n0.566477 0.566477 0.316521 O\n0.940542 0.452969 0.184448 O\n0.044293 0.564928 0.315104 O\n0.817668 0.817668 0.070797 O\n0.452969 0.940542 0.184448 O\n0.679122 0.679122 0.433384 O\n0.935594 0.935594 0.182677 O\n0.564928 0.044293 0.315104 O\n0.324257 0.324257 0.062959 O\n0.793749 0.315818 0.062767 O\n0.433169 0.433169 0.182104 O\n0.315818 0.793749 0.062767 O\n",
"nsites": 56,
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"elements": [
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"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.834464388161354,
"density_atomic": 0.08811324650283993,
"volume": 635.5457575631956,
"volume_molar": 6.8345464490471395,
"formula_full": "V16 Zn8 O32",
"formula_reduced": "V2ZnO4",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:36:34.457000Z",
"spacegroup": 8
}
]
}