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{
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{
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{
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"structure_string": "Be1 As1 Ru2\n1.0\n0.000000 2.922303 2.922303\n2.922303 0.000000 2.922303\n2.922303 2.922303 0.000000\nBe As Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"structure_string": "Be4 P8 O24\n1.0\n13.080944 0.000000 0.000000\n0.000000 4.962656 0.000000\n0.000000 2.824997 6.744183\nBe P O\n4 8 24\ndirect\n0.932741 0.647200 0.233564 Be\n0.432741 0.352800 0.266436 Be\n0.067259 0.352800 0.766436 Be\n0.567259 0.647200 0.733564 Be\n0.869609 0.025452 0.828803 P\n0.650846 0.046583 0.915342 P\n0.150846 0.953417 0.584658 P\n0.349154 0.953417 0.084658 P\n0.849154 0.046583 0.415342 P\n0.630391 0.025452 0.328803 P\n0.130391 0.974548 0.171197 P\n0.369609 0.974548 0.671197 P\n0.235981 0.821537 0.148308 O\n0.635950 0.789865 0.859495 O\n0.135950 0.210135 0.640505 O\n0.364050 0.210135 0.140505 O\n0.864050 0.789865 0.359495 O\n0.576565 0.293920 0.836767 O\n0.076565 0.706080 0.663233 O\n0.423435 0.706080 0.163233 O\n0.735981 0.178463 0.351692 O\n0.154981 0.080751 0.347409 O\n0.264019 0.821537 0.648308 O\n0.764019 0.178463 0.851692 O\n0.845019 0.919249 0.652591 O\n0.345019 0.080751 0.847409 O\n0.612524 0.752684 0.508639 O\n0.654981 0.919249 0.152591 O\n0.947782 0.262843 0.768468 O\n0.112524 0.247316 0.991361 O\n0.387476 0.247316 0.491361 O\n0.887476 0.752684 0.008639 O\n0.552218 0.262843 0.268468 O\n0.052218 0.737157 0.231532 O\n0.447782 0.737157 0.731532 O\n0.923435 0.293920 0.336767 O\n",
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{
"id": "mp-640324",
"created_at": "2022-09-04T14:45:15.243458Z",
"structure_string": "Tm4 Cu4 Pb4 Se12\n1.0\n4.048073 0.000000 0.000000\n0.000000 10.539323 0.000000\n0.000000 0.000000 13.655407\nTm Cu Pb Se\n4 4 4 12\ndirect\n0.250000 0.006867 0.755664 Tm\n0.750000 0.493133 0.255664 Tm\n0.750000 0.993133 0.244336 Tm\n0.250000 0.506867 0.744336 Tm\n0.750000 0.751983 0.719712 Cu\n0.250000 0.748017 0.219712 Cu\n0.250000 0.248017 0.280288 Cu\n0.750000 0.251983 0.780288 Cu\n0.250000 0.268536 0.995347 Pb\n0.250000 0.768536 0.504653 Pb\n0.750000 0.231464 0.495347 Pb\n0.750000 0.731464 0.004653 Pb\n0.250000 0.055297 0.385901 Se\n0.250000 0.429871 0.391469 Se\n0.750000 0.745353 0.328310 Se\n0.250000 0.929871 0.108531 Se\n0.250000 0.754647 0.828310 Se\n0.750000 0.944703 0.614099 Se\n0.750000 0.444703 0.885901 Se\n0.750000 0.570129 0.608531 Se\n0.750000 0.070129 0.891469 Se\n0.750000 0.245353 0.171690 Se\n0.250000 0.555297 0.114099 Se\n0.250000 0.254647 0.671690 Se\n",
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{
"id": "mp-731669",
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"structure_string": "Na8 Zn4 P4 O20\n1.0\n9.906778 0.000000 0.000000\n0.000000 5.847883 0.000000\n0.000000 2.166095 8.375532\nNa Zn P O\n8 4 4 20\ndirect\n0.642025 0.817110 0.297826 Na\n0.142025 0.682890 0.702174 Na\n0.357975 0.182890 0.702174 Na\n0.857975 0.317110 0.297826 Na\n0.330716 0.856609 0.379816 Na\n0.830716 0.643391 0.620184 Na\n0.669284 0.143391 0.620184 Na\n0.169284 0.356609 0.379816 Na\n0.357713 0.729746 0.014604 Zn\n0.857713 0.770254 0.985396 Zn\n0.642287 0.270254 0.985396 Zn\n0.142287 0.229746 0.014604 Zn\n0.006787 0.860238 0.295349 P\n0.506787 0.639762 0.704651 P\n0.993213 0.139762 0.704651 P\n0.493213 0.360238 0.295349 P\n0.865436 0.882207 0.363531 O\n0.365436 0.617793 0.636469 O\n0.134564 0.117793 0.636469 O\n0.634564 0.382207 0.363531 O\n0.995668 0.731152 0.156255 O\n0.495668 0.768848 0.843745 O\n0.004332 0.268848 0.843745 O\n0.504332 0.231152 0.156255 O\n0.106761 0.718499 0.419221 O\n0.606761 0.781501 0.580779 O\n0.893239 0.281501 0.580779 O\n0.393239 0.218499 0.419221 O\n0.203235 0.553344 0.977998 O\n0.703235 0.946656 0.022002 O\n0.796765 0.446656 0.022002 O\n0.296765 0.053344 0.977998 O\n0.436490 0.619680 0.229251 O\n0.936490 0.880320 0.770749 O\n0.563510 0.380320 0.770749 O\n0.063510 0.119680 0.229251 O\n",
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{
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{
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},
{
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"created_at": "2022-09-04T14:45:15.281792Z",
"structure_string": "Li4 Sb4 P8 O28\n1.0\n8.696206 0.000000 0.000000\n0.000000 7.167252 0.000000\n0.000000 3.240019 9.363756\nLi Sb P O\n4 4 8 28\ndirect\n0.040141 0.299545 0.215131 Li\n0.459859 0.299545 0.715131 Li\n0.959859 0.700455 0.784869 Li\n0.540141 0.700455 0.284869 Li\n0.508844 0.745996 0.750413 Sb\n0.491156 0.254004 0.249587 Sb\n0.008844 0.254004 0.749587 Sb\n0.991156 0.745996 0.250413 Sb\n0.757916 0.901272 0.967050 P\n0.742084 0.901272 0.467050 P\n0.779468 0.347755 0.442077 P\n0.242084 0.098728 0.032950 P\n0.279468 0.652245 0.057923 P\n0.220532 0.652245 0.557923 P\n0.720532 0.347755 0.942077 P\n0.257916 0.098728 0.532950 P\n0.128008 0.551576 0.117236 O\n0.257522 0.177107 0.369295 O\n0.721237 0.137555 0.913916 O\n0.091502 0.124080 0.103467 O\n0.742478 0.822893 0.630705 O\n0.919257 0.449364 0.346028 O\n0.757522 0.822893 0.130705 O\n0.615097 0.820323 0.912321 O\n0.302374 0.684200 0.900087 O\n0.908498 0.875920 0.896533 O\n0.802374 0.315800 0.599913 O\n0.384903 0.179677 0.087679 O\n0.628008 0.448424 0.382764 O\n0.580742 0.449364 0.846028 O\n0.408498 0.124080 0.603467 O\n0.115097 0.179677 0.587679 O\n0.871992 0.448424 0.882764 O\n0.197626 0.684200 0.400087 O\n0.278763 0.862445 0.086084 O\n0.419257 0.550636 0.153972 O\n0.884903 0.820323 0.412321 O\n0.371992 0.551576 0.617236 O\n0.242478 0.177107 0.869295 O\n0.591502 0.875920 0.396533 O\n0.697626 0.315800 0.099913 O\n0.080743 0.550636 0.653972 O\n0.778763 0.137555 0.413916 O\n0.221237 0.862445 0.586084 O\n",
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"formula_full": "Li4 Sb4 P8 O28",
"formula_reduced": "LiSbP2O7",
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},
{
"id": "mp-1094145",
"created_at": "2022-09-04T14:45:17.198720Z",
"structure_string": "Mg4 Fe2\n1.0\n2.341615 -7.346541 0.000000\n2.341615 7.346541 0.000000\n0.000000 0.000000 3.124821\nMg Fe\n4 2\ndirect\n0.914746 0.085254 0.750000 Mg\n0.085254 0.914746 0.250000 Mg\n0.283040 0.716960 0.750000 Mg\n0.716960 0.283040 0.250000 Mg\n0.558567 0.441433 0.750000 Fe\n0.441433 0.558567 0.250000 Fe\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Fe-Mg",
"density": 3.2266717602614676,
"density_atomic": 0.05580816102626002,
"volume": 107.51115768134261,
"volume_molar": 10.790788747126674,
"formula_full": "Mg4 Fe2",
"formula_reduced": "Mg2Fe",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:37:00.675000Z",
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}
]
}