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{
"id": "jvasp-45997",
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"structure_string": "Pt2 O6\n1.0\n4.849564 0.000000 0.000000\n-2.424782 1.399949 4.235879\n2.424782 -4.199846 0.000000\nPt O\n2 6\ndirect\n0.000000 0.000000 0.000000 Pt\n0.499999 0.500000 0.500000 Pt\n0.250000 0.750000 0.571538 O\n0.428462 0.250000 0.071537 O\n0.071537 0.250000 0.750001 O\n0.928462 0.750000 0.250000 O\n0.571537 0.750000 0.928463 O\n0.749999 0.250000 0.428463 O\n",
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{
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"structure_string": "Pt2 O2\n1.0\n3.142238 0.000000 0.000000\n-0.000000 3.142238 0.000000\n0.000000 0.000000 5.348760\nPt O\n2 2\ndirect\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n",
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{
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"structure_string": "Sr10 P6 S1 O24\n1.0\n4.928442 -8.536311 -0.000000\n4.928442 8.536311 0.000000\n-0.000000 0.000000 7.234360\nSr P S O\n10 6 1 24\ndirect\n0.243536 0.985941 0.742321 Sr\n0.014059 0.257596 0.742321 Sr\n0.742404 0.756464 0.742321 Sr\n0.985941 0.742404 0.257679 Sr\n0.756464 0.014059 0.257679 Sr\n0.257596 0.243536 0.257679 Sr\n0.333333 0.666667 0.481017 Sr\n0.666667 0.333333 0.518983 Sr\n0.333333 0.666667 0.978880 Sr\n0.666667 0.333333 0.021120 Sr\n0.601314 0.630342 0.247257 P\n0.029028 0.398685 0.247257 P\n0.630342 0.029028 0.752743 P\n0.970971 0.601314 0.752743 P\n0.398685 0.369657 0.752743 P\n0.369657 0.970972 0.247257 P\n0.000000 0.000000 0.500000 S\n0.577702 0.465198 0.794611 O\n0.520119 0.848947 0.738755 O\n0.689542 0.754849 0.094363 O\n0.151052 0.671172 0.738755 O\n0.479880 0.151052 0.261245 O\n0.671172 0.520119 0.261245 O\n0.848947 0.328828 0.261245 O\n0.422297 0.534801 0.205389 O\n0.465198 0.887496 0.205389 O\n0.887496 0.422297 0.794611 O\n0.534801 0.112504 0.794611 O\n0.900308 0.618584 0.568695 O\n0.934693 0.689542 0.905637 O\n0.310458 0.245151 0.905637 O\n0.754849 0.065307 0.905637 O\n0.099692 0.381416 0.431305 O\n0.618584 0.718276 0.431305 O\n0.281724 0.900308 0.431305 O\n0.112504 0.577702 0.205389 O\n0.381416 0.281724 0.568695 O\n0.718276 0.099692 0.568695 O\n0.328828 0.479880 0.738755 O\n0.065307 0.310458 0.094363 O\n0.245151 0.934693 0.094363 O\n",
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{
"id": "jvasp-99126",
"created_at": "2022-09-04T14:36:09.304112Z",
"updated_at": "2022-09-04T14:36:09.304143Z",
"structure_string": "Sr2 Zr2 P4 O16\n1.0\n5.147244 0.002174 -0.518507\n-0.063749 7.758582 -0.352341\n-0.006451 -0.018027 7.898412\nSr Zr P O\n2 2 4 16\ndirect\n0.696871 0.523475 0.770924 Sr\n0.303128 0.476524 0.229075 Sr\n0.340198 0.973694 0.277581 Zr\n0.659801 0.026305 0.722418 Zr\n0.199453 0.788913 0.873471 P\n0.212666 0.252248 0.629895 P\n0.787333 0.747751 0.370104 P\n0.800547 0.211085 0.126528 P\n0.260803 0.415170 0.541407 O\n0.563141 0.187945 0.231187 O\n0.926339 0.227669 0.668094 O\n0.739196 0.584829 0.458593 O\n0.407815 0.242461 0.794567 O\n0.592184 0.757538 0.205432 O\n0.073660 0.772330 0.331905 O\n0.049663 0.168100 0.242149 O\n0.769684 0.079500 0.974445 O\n0.230315 0.920499 0.025554 O\n0.189609 0.601298 0.922321 O\n0.950336 0.831898 0.757850 O\n0.307450 0.082865 0.534758 O\n0.692549 0.917134 0.465241 O\n0.810390 0.398700 0.077678 O\n0.436858 0.812054 0.768812 O\n",
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{
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"updated_at": "2022-09-04T14:35:52.918479Z",
"structure_string": "Sr4 Zn4 P8 O28\n1.0\n5.355817 0.000000 -0.010257\n0.000000 8.230330 0.000000\n0.010275 0.000000 12.787693\nSr Zn P O\n4 4 8 28\ndirect\n0.712036 0.662628 0.720335 Sr\n0.787963 0.162628 0.779664 Sr\n0.287964 0.337372 0.279664 Sr\n0.212036 0.837372 0.220336 Sr\n0.668668 0.649949 0.394899 Zn\n0.331331 0.350051 0.605101 Zn\n0.831332 0.149949 0.105101 Zn\n0.168668 0.850051 0.894899 Zn\n0.251314 0.467419 0.836886 P\n0.180511 0.699008 0.518700 P\n0.819489 0.300993 0.481299 P\n0.748686 0.532581 0.163113 P\n0.680511 0.800992 0.018700 P\n0.751315 0.032581 0.336886 P\n0.248685 0.967419 0.663113 P\n0.319488 0.199008 0.981299 P\n0.770928 0.111926 0.452578 O\n0.444831 0.380941 0.767611 O\n0.292407 0.681087 0.408914 O\n0.792407 0.818913 0.908914 O\n0.169653 0.144715 0.651510 O\n0.830347 0.855285 0.348490 O\n0.173258 0.099055 0.899437 O\n0.229071 0.888074 0.547422 O\n0.899209 0.666699 0.526736 O\n0.014998 0.555619 0.201281 O\n0.326741 0.599055 0.600563 O\n0.944832 0.119059 0.267611 O\n0.555169 0.619059 0.232388 O\n0.485002 0.055619 0.298719 O\n0.669653 0.355285 0.151510 O\n0.600791 0.166699 0.973263 O\n0.207592 0.181087 0.091086 O\n0.100791 0.333301 0.473264 O\n0.729072 0.611926 0.047422 O\n0.826742 0.900944 0.100563 O\n0.985002 0.444381 0.798718 O\n0.330346 0.644714 0.848490 O\n0.707592 0.318913 0.591086 O\n0.055168 0.880940 0.732388 O\n0.270928 0.388074 0.952578 O\n0.673258 0.400944 0.399437 O\n0.514998 0.944381 0.701281 O\n0.399209 0.833301 0.026736 O\n",
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"formula_full": "Sr4 Zn4 P8 O28",
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{
"id": "jvasp-97842",
"created_at": "2022-09-04T14:35:58.711935Z",
"updated_at": "2022-09-04T14:35:58.711959Z",
"structure_string": "Sr1 V2 P4 O14\n1.0\n4.812940 0.040190 0.182164\n2.094967 6.854603 0.005715\n-0.026599 0.002216 7.821208\nSr V P O\n1 2 4 14\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.618124 0.769524 0.299719 P\n0.381876 0.230476 0.700281 P\n0.042648 0.378675 0.245323 P\n0.957352 0.621326 0.754678 P\n0.814204 0.552312 0.351423 O\n0.619053 0.182834 0.561557 O\n0.380947 0.817167 0.438444 O\n0.099383 0.190615 0.343722 O\n0.492794 0.238113 0.883527 O\n0.507207 0.761888 0.116473 O\n0.185796 0.447688 0.648578 O\n0.893316 0.352875 0.078078 O\n0.106684 0.647125 0.921922 O\n0.680373 0.565234 0.788691 O\n0.319628 0.434766 0.211310 O\n0.900617 0.809385 0.656279 O\n0.817987 0.902330 0.294446 O\n0.182013 0.097671 0.705554 O\n",
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{
"id": "jvasp-116557",
"created_at": "2022-09-04T14:38:42.112305Z",
"updated_at": "2022-09-04T14:38:42.112326Z",
"structure_string": "Sr4 P4 O16\n1.0\n6.648433 -0.075416 -1.160737\n-0.021545 7.159019 -0.700311\n-0.429025 0.652276 6.918537\nSr P O\n4 4 16\ndirect\n0.405108 0.347105 0.228069 Sr\n0.594891 0.652896 0.771931 Sr\n0.904772 0.153210 0.727915 Sr\n0.095228 0.846791 0.272085 Sr\n0.604975 0.840897 0.301874 P\n0.395025 0.159103 0.698126 P\n0.895105 0.341116 0.198520 P\n0.104894 0.658884 0.801480 P\n0.943925 0.504432 0.742805 O\n0.056075 0.495569 0.257195 O\n0.288611 0.596699 0.966986 O\n0.711389 0.403301 0.033014 O\n0.001889 0.826210 0.878811 O\n-0.001889 0.173791 0.121189 O\n0.556162 0.004345 0.756801 O\n0.497837 0.325600 0.620990 O\n0.306614 0.210765 0.877100 O\n0.693386 0.789236 0.122900 O\n0.806418 0.290448 0.377080 O\n0.502163 0.674400 0.379010 O\n0.210966 0.096625 0.533180 O\n0.789034 0.903376 0.466820 O\n0.443837 0.995655 0.243199 O\n0.193581 0.709552 0.622920 O\n",
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{
"id": "jvasp-21011",
"created_at": "2022-09-04T14:38:15.300250Z",
"updated_at": "2022-09-04T14:38:15.300273Z",
"structure_string": "Sr3 P2 O8\n1.0\n5.030524 -0.001779 5.321623\n2.115981 4.563858 5.321623\n-0.002788 -0.001779 7.322967\nSr P O\n3 2 8\ndirect\n0.206103 0.206104 0.206104 Sr\n0.793895 0.793897 0.793897 Sr\n0.000000 0.000000 0.000000 Sr\n0.406700 0.406700 0.406701 P\n0.593299 0.593300 0.593300 P\n0.277062 0.277063 0.745880 O\n0.277062 0.745880 0.277063 O\n0.745879 0.277063 0.277063 O\n0.254120 0.722937 0.722937 O\n0.722936 0.722937 0.254120 O\n0.670867 0.670868 0.670868 O\n0.329132 0.329132 0.329132 O\n0.722936 0.254120 0.722938 O\n",
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{
"id": "jvasp-2778",
"created_at": "2022-09-04T14:37:05.807403Z",
"updated_at": "2022-09-04T14:37:05.807423Z",
"structure_string": "Sr4 P2 O1\n1.0\n4.624861 -0.000000 -1.328562\n-0.381650 4.609087 -1.328562\n-0.010660 -0.011579 8.676979\nSr P O\n4 2 1\ndirect\n0.675096 0.675097 0.350193 Sr\n0.324904 0.324904 0.649808 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.864765 0.864765 0.729531 P\n0.135235 0.135235 0.270470 P\n0.500000 0.500000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:38:29.733587Z",
"structure_string": "V2 Sn2 P2 O10\n1.0\n5.302298 0.016885 -0.006615\n-0.567087 6.488782 0.022614\n-2.084643 -2.863030 5.876169\nV Sn P O\n2 2 2 10\ndirect\n0.839505 0.366705 0.242477 V\n0.160495 0.633294 0.757521 V\n0.411899 0.218570 0.458837 Sn\n0.588100 0.781430 0.541162 Sn\n0.827261 0.809495 0.104760 P\n0.172739 0.190505 0.895239 P\n0.220106 0.502656 0.459218 O\n0.893780 0.067508 0.274161 O\n0.921884 0.243267 0.957753 O\n0.078116 0.756732 0.042246 O\n0.106220 0.932492 0.725837 O\n0.762378 0.661908 0.222342 O\n0.237622 0.338092 0.777657 O\n0.575943 0.761707 0.889875 O\n0.779893 0.497344 0.540781 O\n0.424057 0.238292 0.110123 O\n",
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"formula_full": "V2 Sn2 P2 O10",
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{
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"created_at": "2022-09-04T14:38:02.921248Z",
"updated_at": "2022-09-04T14:38:02.921285Z",
"structure_string": "Ti2 Sn2 P4 O16\n1.0\n10.422145 0.000000 0.867509\n0.000000 6.307400 0.000000\n0.417702 0.000000 4.944243\nTi Sn P O\n2 2 4 16\ndirect\n0.205307 0.750000 0.351116 Ti\n0.794693 0.250000 0.648884 Ti\n0.318524 0.250000 0.803151 Sn\n0.681476 0.750000 0.196849 Sn\n0.101532 0.250000 0.386877 P\n0.381379 0.750000 0.710405 P\n0.618622 0.250000 0.289594 P\n0.898469 0.750000 0.613122 P\n0.842627 0.952863 0.773801 O\n0.842627 0.547137 0.773801 O\n0.689884 0.431638 0.425637 O\n0.689884 0.068362 0.425637 O\n0.667368 0.250000 0.977209 O\n0.525667 0.750000 0.645314 O\n0.474333 0.250000 0.354686 O\n0.157373 0.452863 0.226199 O\n0.310116 0.568362 0.574363 O\n0.310116 0.931638 0.574363 O\n0.869775 0.750000 0.321825 O\n0.157373 0.047137 0.226199 O\n0.130225 0.250000 0.678174 O\n0.048936 0.750000 0.600432 O\n0.332633 0.750000 0.022791 O\n0.951064 0.250000 0.399568 O\n",
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"volume": 322.7323581699823,
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"formula_full": "Ti2 Sn2 P4 O16",
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{
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"created_at": "2022-09-04T14:38:16.961723Z",
"updated_at": "2022-09-04T14:38:16.961742Z",
"structure_string": "Sn3 P4 O14\n1.0\n5.528216 0.024170 0.439559\n2.929194 6.522867 -0.179817\n0.313431 0.910077 9.006561\nSn P O\n3 4 14\ndirect\n0.762267 0.396010 0.327977 Sn\n0.237733 0.603991 0.672023 Sn\n0.000000 0.000000 0.000000 Sn\n0.654555 0.692104 0.958133 P\n0.884080 0.347121 0.715441 P\n0.115920 0.652880 0.284558 P\n0.345444 0.307896 0.041867 P\n0.863700 0.652861 0.370239 O\n0.348635 0.410320 0.891407 O\n0.651365 0.589681 0.108592 O\n0.136299 0.347140 0.629761 O\n0.658774 0.408897 0.613018 O\n0.829140 0.814254 0.934753 O\n0.797265 0.521108 0.834911 O\n0.074644 0.858002 0.202995 O\n0.202734 0.478893 0.165089 O\n0.170859 0.185747 0.065247 O\n0.624788 0.183693 0.095710 O\n0.925356 0.141999 0.797005 O\n0.341226 0.591104 0.386981 O\n0.375212 0.816307 0.904290 O\n",
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"nelements": 3,
"elements": [
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn",
"density": 3.5935992771856293,
"density_atomic": 0.06455307211488294,
"volume": 325.3137195798676,
"volume_molar": 9.328976240329196,
"formula_full": "Sn3 P4 O14",
"formula_reduced": "Sn3(P2O7)2",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 2.735245528571429,
"spacegroup": 2
}
]
}