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{
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{
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{
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"structure_string": "Ba2 Zn1 Te1 O6\n1.0\n0.000000 4.131510 4.131510\n4.131510 0.000000 4.131510\n4.131510 4.131510 0.000000\nBa Zn Te O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Te\n0.738351 0.738351 0.261649 O\n0.261649 0.738351 0.261649 O\n0.738351 0.261649 0.261649 O\n0.261649 0.261649 0.738351 O\n0.738351 0.261649 0.738351 O\n0.261649 0.738351 0.738351 O\n",
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{
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{
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"structure_string": "Ba2 Te2 W4 O18\n1.0\n7.606753 0.000000 0.000000\n0.000000 5.610845 0.000000\n0.000000 0.003785 9.067988\nBa Te W O\n2 2 4 18\ndirect\n0.107995 0.758222 0.439652 Ba\n0.607995 0.241778 0.560348 Ba\n0.362877 0.628403 0.899642 Te\n0.862877 0.371597 0.100358 Te\n0.802283 0.759057 0.823614 W\n0.118892 0.219075 0.745140 W\n0.302283 0.240943 0.176386 W\n0.618892 0.780925 0.254860 W\n0.329047 0.292667 0.371151 O\n0.829047 0.707333 0.628849 O\n0.150007 0.997735 0.171473 O\n0.650007 0.002265 0.828527 O\n0.084130 0.471476 0.178531 O\n0.584130 0.528524 0.821469 O\n0.475825 0.775387 0.412080 O\n0.975825 0.224613 0.587920 O\n0.941363 0.440992 0.877762 O\n0.441363 0.559008 0.122238 O\n0.008470 0.955385 0.856697 O\n0.508470 0.044615 0.143303 O\n0.290479 0.028456 0.674509 O\n0.790479 0.971544 0.325491 O\n0.778318 0.696734 0.055845 O\n0.278318 0.303266 0.944155 O\n0.241673 0.518680 0.705160 O\n0.741673 0.481320 0.294840 O\n",
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{
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{
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"structure_string": "Ba4 V8 Te4 O32\n1.0\n5.694759 0.000000 0.000000\n0.000000 9.897280 0.000000\n0.000000 5.586576 13.538043\nBa V Te O\n4 8 4 32\ndirect\n0.312875 0.755263 0.836527 Ba\n0.687125 0.244737 0.163473 Ba\n0.187125 0.755263 0.336527 Ba\n0.812875 0.244737 0.663473 Ba\n0.841427 0.004671 0.913437 V\n0.152098 0.518736 0.137498 V\n0.341427 0.995329 0.586563 V\n0.158573 0.995329 0.086563 V\n0.658573 0.004671 0.413437 V\n0.847902 0.481264 0.862502 V\n0.347902 0.518736 0.637498 V\n0.652098 0.481264 0.362502 V\n0.163283 0.283509 0.408720 Te\n0.663283 0.716491 0.091280 Te\n0.336717 0.283509 0.908720 Te\n0.836717 0.716491 0.591280 Te\n0.115376 0.156629 0.545322 O\n0.635977 0.137306 0.860741 O\n0.899901 0.395036 0.441071 O\n0.008687 0.012613 0.180353 O\n0.880969 0.576324 0.065399 O\n0.865905 0.433537 0.763799 O\n0.364023 0.862694 0.139259 O\n0.380969 0.423676 0.434601 O\n0.172541 0.335756 0.175713 O\n0.365905 0.566463 0.736201 O\n0.491313 0.012613 0.680353 O\n0.619031 0.576324 0.565399 O\n0.399901 0.604964 0.058929 O\n0.384624 0.156629 0.045322 O\n0.884624 0.843371 0.454678 O\n0.672541 0.664244 0.324287 O\n0.327459 0.335756 0.675713 O\n0.600099 0.395036 0.941071 O\n0.634095 0.433537 0.263799 O\n0.450463 0.124269 0.453038 O\n0.049537 0.124269 0.953038 O\n0.549537 0.875731 0.546962 O\n0.135977 0.862694 0.639259 O\n0.508687 0.987387 0.319647 O\n0.827459 0.664244 0.824287 O\n0.950463 0.875731 0.046962 O\n0.119031 0.423676 0.934601 O\n0.134095 0.566463 0.236201 O\n0.991313 0.987387 0.819647 O\n0.100099 0.604964 0.558929 O\n0.615376 0.843371 0.954678 O\n0.864023 0.137306 0.360741 O\n",
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{
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"structure_string": "Ba6 Te8 O22\n1.0\n8.150548 0.000000 0.000000\n-2.108679 9.375887 0.000000\n-3.742202 -2.299817 9.262955\nBa Te O\n6 8 22\ndirect\n0.310763 0.015462 0.114633 Ba\n0.689237 0.984538 0.885367 Ba\n0.144591 0.407109 0.177685 Ba\n0.855409 0.592891 0.822315 Ba\n0.719156 0.457966 0.370330 Ba\n0.280844 0.542034 0.629670 Ba\n0.440756 0.195944 0.537590 Te\n0.559244 0.804056 0.462410 Te\n0.946129 0.243350 0.718795 Te\n0.053871 0.756650 0.281205 Te\n0.465126 0.306009 0.941153 Te\n0.534874 0.693991 0.058847 Te\n0.074061 0.879230 0.704527 Te\n0.925939 0.120770 0.295473 Te\n0.849759 0.725683 0.584845 O\n0.150241 0.274317 0.415155 O\n0.202524 0.757596 0.802065 O\n0.797476 0.242404 0.197935 O\n0.996021 0.943632 0.849325 O\n0.003979 0.056368 0.150675 O\n0.600586 0.687639 0.900142 O\n0.399414 0.312361 0.099858 O\n0.596489 0.899806 0.123656 O\n0.403511 0.100194 0.876344 O\n0.741118 0.647967 0.188991 O\n0.258882 0.352033 0.811009 O\n0.068417 0.598821 0.371080 O\n0.931583 0.401179 0.628920 O\n0.482113 0.213482 0.372202 O\n0.517887 0.786518 0.627798 O\n0.535943 0.393428 0.643414 O\n0.464057 0.606572 0.356586 O\n0.667280 0.134421 0.638179 O\n0.332720 0.865579 0.361821 O\n0.938784 0.327030 0.892896 O\n0.061216 0.672970 0.107104 O\n",
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"structure_string": "Ba2 Te2 O6\n1.0\n6.074566 0.000000 0.000000\n0.000000 4.654753 0.000000\n0.000000 2.107996 6.943977\nBa Te O\n2 2 6\ndirect\n0.250000 0.339869 0.313598 Ba\n0.750000 0.660131 0.686402 Ba\n0.250000 0.069488 0.852233 Te\n0.750000 0.930512 0.147767 Te\n0.514141 0.826455 0.326094 O\n0.014141 0.173545 0.673906 O\n0.485859 0.173545 0.673906 O\n0.985859 0.826455 0.326094 O\n0.750000 0.352959 0.102061 O\n0.250000 0.647041 0.897939 O\n",
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"elements": [
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],
"chemical_system": "Ba-O-Te",
"density": 5.292970364649361,
"density_atomic": 0.050930721759452895,
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"volume_molar": 11.824181067848842,
"formula_full": "Ba2 Te2 O6",
"formula_reduced": "BaTeO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:39.447000Z",
"spacegroup": 11
},
{
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"created_at": "2022-09-04T14:44:29.235812Z",
"structure_string": "Ba4 Te12 O28\n1.0\n5.363520 0.000000 0.000000\n0.000000 10.469830 0.000000\n0.000000 8.133805 13.651381\nBa Te O\n4 12 28\ndirect\n0.739944 0.419062 0.395968 Ba\n0.760056 0.419062 0.895968 Ba\n0.260056 0.580938 0.604032 Ba\n0.239944 0.580938 0.104032 Ba\n0.224961 0.735768 0.292122 Te\n0.275039 0.735768 0.792122 Te\n0.775039 0.264232 0.707878 Te\n0.724961 0.264232 0.207878 Te\n0.737253 0.811447 0.393584 Te\n0.762747 0.811447 0.893584 Te\n0.262747 0.188553 0.606416 Te\n0.237253 0.188553 0.106416 Te\n0.308524 0.075631 0.407293 Te\n0.191476 0.075631 0.907293 Te\n0.691476 0.924369 0.592707 Te\n0.808524 0.924369 0.092707 Te\n0.280855 0.564083 0.287912 O\n0.219145 0.564083 0.787912 O\n0.719145 0.435917 0.712088 O\n0.780855 0.435917 0.212088 O\n0.026225 0.658944 0.411152 O\n0.473775 0.658944 0.911152 O\n0.973775 0.341056 0.588848 O\n0.526225 0.341056 0.088848 O\n0.869606 0.760540 0.230984 O\n0.630394 0.760540 0.730984 O\n0.130394 0.239460 0.769016 O\n0.369606 0.239460 0.269016 O\n0.521198 0.657934 0.404258 O\n0.978802 0.657934 0.904258 O\n0.478802 0.342066 0.595742 O\n0.021198 0.342066 0.095742 O\n0.772960 0.744227 0.527141 O\n0.727040 0.744227 0.027141 O\n0.227040 0.255773 0.472859 O\n0.272960 0.255773 0.972859 O\n0.380727 0.918232 0.380172 O\n0.119273 0.918232 0.880172 O\n0.619273 0.081768 0.619828 O\n0.880727 0.081768 0.119828 O\n0.648264 0.103872 0.433502 O\n0.851736 0.103872 0.933502 O\n0.351736 0.896128 0.566498 O\n0.148264 0.896128 0.066498 O\n",
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"chemical_system": "Ba-O-Te",
"density": 5.477021198447548,
"density_atomic": 0.05739665121294268,
"volume": 766.5952467637729,
"volume_molar": 10.4921465499054,
"formula_full": "Ba4 Te12 O28",
"formula_reduced": "BaTe3O7",
"formula_anonymous": "AB3C7",
"energy": -267.83825946,
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"updated_at": "2021-11-28T01:36:41.589000Z",
"spacegroup": 14
},
{
"id": "mp-27254",
"created_at": "2022-09-04T14:39:17.454798Z",
"structure_string": "Ba2 Te4 O12\n1.0\n2.831459 -6.566149 0.000000\n2.831459 6.566149 0.000000\n0.000000 0.000000 7.461716\nBa Te O\n2 4 12\ndirect\n0.722077 0.277923 0.750000 Ba\n0.277923 0.722077 0.250000 Ba\n0.000000 0.000000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.584791 0.415209 0.250000 Te\n0.415209 0.584791 0.750000 Te\n0.868423 0.658315 0.044754 O\n0.658315 0.868423 0.955246 O\n0.131577 0.341685 0.544754 O\n0.341685 0.131577 0.455246 O\n0.131577 0.341685 0.955246 O\n0.341685 0.131577 0.044754 O\n0.048416 0.951584 0.750000 O\n0.951584 0.048416 0.250000 O\n0.274089 0.725911 0.750000 O\n0.725911 0.274089 0.250000 O\n0.658315 0.868423 0.544754 O\n0.868423 0.658315 0.455246 O\n",
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"elements": [
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],
"chemical_system": "Ba-O-Te",
"density": 5.847560747675655,
"density_atomic": 0.06487580849472271,
"volume": 277.45318968108427,
"volume_molar": 9.282567569835939,
"formula_full": "Ba2 Te4 O12",
"formula_reduced": "Ba(TeO3)2",
"formula_anonymous": "AB2C6",
"energy": -111.74894337,
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"updated_at": "2021-11-28T01:34:30.140000Z",
"spacegroup": 63
}
]
}