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{
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{
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{
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"structure_string": "K4 Na4 Mo4 W4 O24\n1.0\n8.026554 0.000000 0.000000\n0.000000 8.026554 0.000000\n0.000000 0.000000 7.980454\nK Na Mo W O\n4 4 4 4 24\ndirect\n0.252911 0.252911 0.254030 K\n0.747089 0.252911 0.254030 K\n0.252911 0.747089 0.254030 K\n0.747089 0.747089 0.254030 K\n0.253331 0.253331 0.745635 Na\n0.746669 0.253331 0.745635 Na\n0.253331 0.746669 0.745635 Na\n0.746669 0.746669 0.745635 Na\n0.500000 0.000000 0.501782 Mo\n0.000000 0.500000 0.501782 Mo\n0.500000 0.500000 0.997844 Mo\n0.500000 0.500000 0.503857 Mo\n0.000000 0.000000 0.999558 W\n0.000000 0.000000 0.504971 W\n0.500000 0.000000 0.996709 W\n0.000000 0.500000 0.996709 W\n0.000000 0.253580 0.995014 O\n0.000000 0.238284 0.505269 O\n0.500000 0.242770 0.994854 O\n0.500000 0.249341 0.506211 O\n0.000000 0.746420 0.995014 O\n0.000000 0.761716 0.505269 O\n0.500000 0.757230 0.994854 O\n0.500000 0.750659 0.506211 O\n0.253580 0.000000 0.995014 O\n0.238284 0.000000 0.505269 O\n0.746420 0.000000 0.995014 O\n0.761716 0.000000 0.505269 O\n0.242770 0.500000 0.994854 O\n0.249341 0.500000 0.506211 O\n0.757230 0.500000 0.994854 O\n0.750659 0.500000 0.506211 O\n0.000000 0.000000 0.244666 O\n0.000000 0.000000 0.755913 O\n0.500000 0.000000 0.240122 O\n0.500000 0.000000 0.756830 O\n0.000000 0.500000 0.240122 O\n0.000000 0.500000 0.756830 O\n0.500000 0.500000 0.235852 O\n0.500000 0.500000 0.762403 O\n",
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{
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"structure_string": "La4 Zn4 Fe4 Ag4 O24\n1.0\n-0.000287 5.181543 -0.090766\n0.000897 -0.317429 17.864672\n5.527526 -0.000299 0.000273\nLa Zn Fe Ag O\n4 4 4 4 24\ndirect\n0.969847 0.127530 0.065270 La\n0.969859 0.627525 0.065267 La\n0.469974 0.377518 0.434535 La\n0.470001 0.877514 0.434535 La\n0.535225 0.123500 0.564687 Zn\n0.535241 0.623493 0.564665 Zn\n0.035181 0.373528 0.935396 Zn\n0.035198 0.873532 0.935352 Zn\n0.003815 0.501462 0.505658 Fe\n0.503859 0.751544 0.994309 Fe\n0.003825 0.001503 0.505604 Fe\n0.503812 0.251524 0.994330 Fe\n0.994388 0.251586 0.507840 Ag\n0.994433 0.751574 0.507845 Ag\n0.494291 0.001586 0.992171 Ag\n0.494259 0.501594 0.992210 Ag\n0.673812 0.344361 0.041460 O\n0.673798 0.844325 0.041422 O\n0.173876 0.094329 0.458737 O\n0.173821 0.594320 0.458850 O\n0.192053 0.453031 0.191157 O\n0.192071 0.953017 0.191146 O\n0.692044 0.203074 0.309083 O\n0.692052 0.703061 0.309087 O\n0.208449 0.280254 0.202488 O\n0.208477 0.780229 0.202468 O\n0.708524 0.030278 0.297391 O\n0.708561 0.530279 0.297403 O\n0.886606 0.403904 0.566201 O\n0.886554 0.903877 0.566229 O\n0.387079 0.153830 0.933442 O\n0.387069 0.653823 0.933460 O\n0.267237 0.300050 0.736627 O\n0.267338 0.800009 0.736718 O\n0.767266 0.049974 0.763229 O\n0.767323 0.549950 0.763211 O\n0.267971 0.464368 0.721457 O\n0.268056 0.964355 0.721444 O\n0.768389 0.214401 0.778805 O\n0.768369 0.714384 0.778807 O\n",
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{
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"structure_string": "Sr2 La2 Eu2 Nb2 O12\n1.0\n5.903515 0.006295 -0.030428\n-0.002254 6.080752 0.016135\n-0.057229 0.009621 8.476994\nSr La Eu Nb O\n2 2 2 2 12\ndirect\n0.987164 0.050062 0.250134 Sr\n0.012836 0.949938 0.749866 Sr\n0.000000 0.500000 -0.000000 La\n0.500000 -0.000000 0.500000 La\n0.516296 0.552747 0.248587 Eu\n0.483704 0.447253 0.751413 Eu\n0.500000 -0.000000 -0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.221535 0.182865 0.946040 O\n0.277943 0.681235 0.558641 O\n0.778465 0.817135 0.053960 O\n0.722057 0.318765 0.441359 O\n0.327859 0.718628 0.938874 O\n0.175521 0.221556 0.560108 O\n0.672141 0.281372 0.061126 O\n0.824479 0.778444 0.439892 O\n0.396687 0.954528 0.226982 O\n0.112913 0.462312 0.273769 O\n0.603313 0.045472 0.773019 O\n0.887087 0.537688 0.726231 O\n",
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{
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"structure_string": "Na1 Sr1 Sb1 W1 O6\n1.0\n0.000000 -4.194252 -4.194252\n4.194252 0.000000 -4.194252\n4.194252 -4.194252 -0.000000\nNa Sr Sb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 W\n0.732402 0.267598 0.267598 O\n0.267598 0.732402 0.732402 O\n0.732402 0.267598 0.732402 O\n0.267598 0.732402 0.267598 O\n0.732402 0.732402 0.267598 O\n0.267598 0.267598 0.732402 O\n",
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{
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{
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"structure_string": "Sr2 Ca2 Y2 Bi2 O12\n1.0\n5.863999 0.000071 0.007336\n0.004247 6.038070 -0.000213\n0.017488 0.005139 8.417659\nSr Ca Y Bi O\n2 2 2 2 12\ndirect\n0.510734 0.549825 0.250066 Sr\n0.489266 0.450175 0.749934 Sr\n0.985932 0.048773 0.248528 Ca\n0.014068 0.951227 0.751472 Ca\n0.500000 0.000000 -0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.500000 -0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.186128 0.203854 0.937333 O\n0.309713 0.707608 0.553954 O\n0.813872 0.796146 0.062667 O\n0.690287 0.292392 0.446046 O\n0.294212 0.695988 0.949787 O\n0.204580 0.191637 0.563501 O\n0.705788 0.304012 0.050213 O\n0.795420 0.808363 0.436499 O\n0.380685 0.966291 0.258182 O\n0.098191 0.441564 0.242326 O\n0.619315 0.033709 0.741818 O\n0.901809 0.558436 0.757674 O\n",
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"elements": [
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],
"chemical_system": "Bi-Ca-O-Sr-Y",
"density": 5.81190260239099,
"density_atomic": 0.06710389959271713,
"volume": 298.0452719050418,
"volume_molar": 8.974352901323174,
"formula_full": "Sr2 Ca2 Y2 Bi2 O12",
"formula_reduced": "SrCaYBiO6",
"formula_anonymous": "ABCDE6",
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -136.08015553,
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"updated_at": "2021-11-28T01:39:51.381000Z",
"spacegroup": 2
},
{
"id": "mp-1521811",
"created_at": "2022-09-04T14:39:10.950695Z",
"structure_string": "Sr1 Zr1 Ti1 Sn1 O6\n1.0\n-0.000000 -4.068819 -4.068819\n4.068819 -0.000000 -4.068819\n4.068819 -4.068819 0.000000\nSr Zr Ti Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Sn\n0.757915 0.242085 0.242085 O\n0.242085 0.757915 0.757915 O\n0.757915 0.242085 0.757915 O\n0.242085 0.757915 0.242085 O\n0.757915 0.757915 0.242085 O\n0.242085 0.242085 0.757915 O\n",
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],
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"density_atomic": 0.0742275099383605,
"volume": 134.72094117536923,
"volume_molar": 8.113084710777533,
"formula_full": "Sr1 Zr1 Ti1 Sn1 O6",
"formula_reduced": "SrZrTiSnO6",
"formula_anonymous": "ABCDE6",
"energy": -82.94236086,
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"updated_at": "2021-11-28T01:34:40.473000Z",
"spacegroup": 216
},
{
"id": "mp-1521652",
"created_at": "2022-09-04T14:39:08.161701Z",
"structure_string": "Ba1 Na1 Pr1 Sb1 O6\n1.0\n-0.000000 -4.339917 -4.339917\n4.339917 -0.000000 -4.339917\n4.339917 -4.339917 -0.000000\nBa Na Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n-0.000000 -0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.730537 0.269463 0.269463 O\n0.269463 0.730537 0.730537 O\n0.730537 0.269463 0.730537 O\n0.269463 0.730537 0.269463 O\n0.730537 0.730537 0.269463 O\n0.269463 0.269463 0.730537 O\n",
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"elements": [
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"O"
],
"chemical_system": "Ba-Na-O-Pr-Sb",
"density": 5.271402008302891,
"density_atomic": 0.06116820454281575,
"volume": 163.48362805058838,
"volume_molar": 9.845214200761275,
"formula_full": "Ba1 Na1 Pr1 Sb1 O6",
"formula_reduced": "BaNaPrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -67.20785656999999,
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"updated_at": "2021-11-28T01:34:31.389000Z",
"spacegroup": 216
}
]
}