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{
"id": "mp-1030787",
"created_at": "2022-09-04T14:42:28.969279Z",
"structure_string": "Cs1 Na1 Mg6 O7\n1.0\n8.170242 -0.000000 0.000000\n0.000000 4.740279 0.000000\n0.000000 0.000000 4.740279\nCs Na Mg O\n1 1 6 7\ndirect\n0.417638 -0.000000 0.000000 Cs\n0.996551 -0.000000 -0.000000 Na\n0.004770 0.500000 0.500000 Mg\n0.516083 0.500000 0.500000 Mg\n0.250635 -0.000000 0.500000 Mg\n0.755560 0.000000 0.500000 Mg\n0.250635 0.500000 0.000000 Mg\n0.755560 0.500000 -0.000000 Mg\n0.738514 -0.000000 0.000000 O\n0.260859 0.500000 0.500000 O\n0.760064 0.500000 0.500000 O\n0.016885 -0.000000 0.500000 O\n0.504681 0.000000 0.500000 O\n0.016885 0.500000 -0.000000 O\n0.504681 0.500000 -0.000000 O\n",
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{
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"updated_at": "2021-11-28T01:35:49.885000Z",
"spacegroup": 7
},
{
"id": "mp-1520770",
"created_at": "2022-09-04T14:42:28.967136Z",
"structure_string": "Ba1 Ca1 Tb1 Nb1 O6\n1.0\n-0.000000 -4.245648 -4.245648\n4.245648 -0.000000 -4.245648\n4.245648 -4.245648 0.000000\nBa Ca Tb Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 -0.000000 Nb\n0.763100 0.236900 0.236900 O\n0.236900 0.763100 0.763100 O\n0.763100 0.236900 0.763100 O\n0.236900 0.763100 0.236900 O\n0.763100 0.763100 0.236900 O\n0.236900 0.236900 0.763100 O\n",
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"formula_full": "Ba1 Ca1 Tb1 Nb1 O6",
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"spacegroup": 216
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{
"id": "mp-32309",
"created_at": "2022-09-04T14:42:18.424799Z",
"structure_string": "Sr16 Re8 Ni4 O48\n1.0\n5.362464 0.008254 7.970588\n-5.849376 9.536173 0.000005\n-7.773351 -4.768089 3.271978\nSr Re Ni O\n16 8 4 48\ndirect\n0.602408 0.400602 0.933735 Sr\n0.602408 0.900602 0.933735 Sr\n0.602408 0.150602 0.433734 Sr\n0.602408 0.650602 0.433735 Sr\n0.397592 0.849398 0.566266 Sr\n0.397592 0.349399 0.566266 Sr\n0.397592 0.599398 0.066265 Sr\n0.397592 0.099398 0.066266 Sr\n0.875448 0.968862 0.645908 Sr\n0.875449 0.468863 0.645908 Sr\n0.875449 0.718862 0.145909 Sr\n0.875448 0.218863 0.145908 Sr\n0.124552 0.281138 0.854092 Sr\n0.124552 0.781137 0.854091 Sr\n0.124552 0.031137 0.354092 Sr\n0.124551 0.531138 0.354091 Sr\n0.739266 0.184817 0.789877 Re\n0.739267 0.684816 0.789877 Re\n0.739266 0.934816 0.289877 Re\n0.739266 0.434816 0.289877 Re\n0.260734 0.065183 0.710123 Re\n0.260733 0.565184 0.710123 Re\n0.260735 0.815183 0.210123 Re\n0.260734 0.315184 0.210123 Re\n0.000000 0.750000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.250000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.631042 0.157761 0.934340 O\n0.631042 0.657761 0.934339 O\n0.631042 0.907761 0.434340 O\n0.631042 0.407761 0.434340 O\n0.631041 0.279635 0.690591 O\n0.631041 0.779636 0.690590 O\n0.631041 0.029636 0.190590 O\n0.631042 0.529635 0.190591 O\n0.631041 0.035886 0.690590 O\n0.631042 0.535887 0.690591 O\n0.631042 0.785887 0.190590 O\n0.631041 0.285886 0.190590 O\n0.368959 0.214114 0.809410 O\n0.368958 0.714113 0.809409 O\n0.368959 0.964114 0.309410 O\n0.368958 0.464113 0.309410 O\n0.368958 0.092239 0.565660 O\n0.368958 0.592239 0.565660 O\n0.368958 0.842239 0.065660 O\n0.368958 0.342239 0.065660 O\n0.368959 0.970365 0.809409 O\n0.368959 0.470364 0.809410 O\n0.368959 0.720365 0.309410 O\n0.368959 0.220364 0.309410 O\n0.130169 0.032542 0.848029 O\n0.130171 0.532542 0.848027 O\n0.130170 0.782541 0.348028 O\n0.130170 0.282541 0.348029 O\n0.869831 0.097707 0.891472 O\n0.869829 0.597708 0.891470 O\n0.869829 0.847708 0.391472 O\n0.869831 0.347707 0.391472 O\n0.869830 0.217458 0.651971 O\n0.869829 0.717458 0.651973 O\n0.869830 0.967459 0.151971 O\n0.869829 0.467459 0.151972 O\n0.869830 0.337208 0.891471 O\n0.869830 0.837208 0.891472 O\n0.869831 0.087209 0.391472 O\n0.869830 0.587208 0.391471 O\n0.130170 0.912792 0.608528 O\n0.130170 0.412792 0.608528 O\n0.130170 0.662792 0.108529 O\n0.130169 0.162791 0.108528 O\n0.130169 0.152293 0.608528 O\n0.130171 0.652292 0.608530 O\n0.130169 0.902293 0.108528 O\n0.130171 0.402292 0.108529 O\n",
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"elements": [
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],
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"density": 6.59444005196814,
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"formula_full": "Sr16 Re8 Ni4 O48",
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"energy": -586.84436069,
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"updated_at": "2021-11-28T01:35:44.587000Z",
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},
{
"id": "mp-1220926",
"created_at": "2022-09-04T14:42:26.540453Z",
"structure_string": "Rb12 Na12 Sc8 Mo24 O96\n1.0\n11.001908 0.000000 0.000000\n0.000000 12.709525 -0.004895\n0.000000 -0.007251 18.987957\nRb Na Sc Mo O\n12 12 8 24 96\ndirect\n0.775920 0.341965 0.037405 Rb\n0.714943 0.659365 0.034780 Rb\n0.275920 0.658035 0.462595 Rb\n0.214943 0.340635 0.465220 Rb\n0.224080 0.658035 0.962595 Rb\n0.285057 0.340635 0.965220 Rb\n0.724080 0.341965 0.537405 Rb\n0.785057 0.659365 0.534780 Rb\n0.743855 0.000119 0.066670 Rb\n0.243855 0.999881 0.433330 Rb\n0.256145 0.999881 0.933330 Rb\n0.756145 0.000119 0.566670 Rb\n0.499554 0.328984 0.750031 Na\n0.999554 0.671016 0.749969 Na\n0.500446 0.671016 0.249969 Na\n0.000446 0.328984 0.250031 Na\n0.498427 0.992340 0.247321 Na\n0.998427 0.007660 0.252679 Na\n0.501573 0.007660 0.752679 Na\n0.001573 0.992340 0.747321 Na\n0.571046 0.837559 0.900323 Na\n0.071046 0.162441 0.599677 Na\n0.428954 0.162441 0.099677 Na\n0.928954 0.837559 0.400323 Na\n0.250056 0.498979 0.784252 Sc\n0.750056 0.501021 0.715748 Sc\n0.749944 0.501021 0.215748 Sc\n0.249944 0.498979 0.284252 Sc\n0.925235 0.161735 0.899183 Sc\n0.425235 0.838265 0.600817 Sc\n0.074765 0.838265 0.100817 Sc\n0.574765 0.161735 0.399183 Sc\n0.585217 0.143183 0.910804 Mo\n0.923306 0.861929 0.915459 Mo\n0.085217 0.856817 0.589196 Mo\n0.423306 0.138071 0.584541 Mo\n0.414783 0.856817 0.089196 Mo\n0.076694 0.138071 0.084541 Mo\n0.914783 0.143183 0.410804 Mo\n0.576694 0.861929 0.415459 Mo\n0.212730 0.198198 0.790165 Mo\n0.282595 0.801480 0.785275 Mo\n0.712730 0.801802 0.709835 Mo\n0.782595 0.198520 0.714725 Mo\n0.787270 0.801802 0.209835 Mo\n0.717405 0.198520 0.214725 Mo\n0.287270 0.198198 0.290165 Mo\n0.217405 0.801480 0.285275 Mo\n0.453324 0.533346 0.620967 Mo\n0.046441 0.472122 0.621453 Mo\n0.953324 0.466654 0.879033 Mo\n0.546441 0.527878 0.878547 Mo\n0.546676 0.466654 0.379033 Mo\n0.953559 0.527878 0.378547 Mo\n0.046676 0.533346 0.120967 Mo\n0.453559 0.472122 0.121453 Mo\n0.400306 0.451691 0.553282 O\n0.101085 0.553098 0.553162 O\n0.900306 0.548309 0.946718 O\n0.601085 0.446902 0.946838 O\n0.599694 0.548309 0.446718 O\n0.898915 0.446902 0.446838 O\n0.099694 0.451691 0.053282 O\n0.398915 0.553098 0.053162 O\n0.483715 0.165875 0.982159 O\n0.021956 0.837330 0.991422 O\n0.983715 0.834125 0.517841 O\n0.521956 0.162670 0.508578 O\n0.516285 0.834125 0.017841 O\n0.978044 0.162670 0.008578 O\n0.016285 0.165875 0.482159 O\n0.478044 0.837330 0.491422 O\n0.748420 0.151348 0.938902 O\n0.772291 0.850282 0.945725 O\n0.248420 0.848652 0.561098 O\n0.272291 0.149718 0.554275 O\n0.251580 0.848652 0.061098 O\n0.227709 0.149718 0.054275 O\n0.751580 0.151348 0.438902 O\n0.727709 0.850282 0.445725 O\n0.616429 0.513819 0.632284 O\n0.880322 0.486790 0.633531 O\n0.116429 0.486181 0.867716 O\n0.380322 0.513210 0.866469 O\n0.383571 0.486181 0.367716 O\n0.119678 0.513210 0.366469 O\n0.883571 0.513819 0.132284 O\n0.619678 0.486790 0.133531 O\n0.419244 0.668037 0.597683 O\n0.082566 0.342901 0.597204 O\n0.919244 0.331963 0.902317 O\n0.582566 0.657099 0.902796 O\n0.580756 0.331963 0.402317 O\n0.917434 0.657099 0.402796 O\n0.080756 0.668037 0.097683 O\n0.417434 0.342901 0.097204 O\n0.551206 0.015753 0.877698 O\n0.948461 0.997426 0.884187 O\n0.051206 0.984247 0.622302 O\n0.448461 0.002574 0.615813 O\n0.448794 0.984247 0.122302 O\n0.051539 0.002574 0.115813 O\n0.948794 0.015753 0.377698 O\n0.551539 0.997426 0.384187 O\n0.383411 0.497827 0.704070 O\n0.117656 0.504230 0.706113 O\n0.883411 0.502173 0.795930 O\n0.617656 0.495770 0.793887 O\n0.616589 0.502173 0.295930 O\n0.882344 0.495770 0.293887 O\n0.116589 0.497827 0.204070 O\n0.382344 0.504230 0.206113 O\n0.117016 0.180285 0.868480 O\n0.366784 0.817646 0.863786 O\n0.617016 0.819715 0.631520 O\n0.866784 0.182354 0.636214 O\n0.882984 0.819715 0.131520 O\n0.633216 0.182354 0.136214 O\n0.382984 0.180285 0.368480 O\n0.133216 0.817646 0.363786 O\n0.334133 0.107603 0.795684 O\n0.161877 0.891859 0.793747 O\n0.834133 0.892397 0.704316 O\n0.661877 0.108141 0.706253 O\n0.665867 0.892397 0.204316 O\n0.838123 0.108141 0.206253 O\n0.165867 0.107603 0.295684 O\n0.338123 0.891859 0.293747 O\n0.125573 0.165337 0.716295 O\n0.374996 0.833918 0.707984 O\n0.625573 0.834663 0.783705 O\n0.874996 0.166082 0.792016 O\n0.874427 0.834663 0.283705 O\n0.625004 0.166082 0.292016 O\n0.374427 0.165337 0.216295 O\n0.125004 0.833918 0.207984 O\n0.272650 0.334108 0.787298 O\n0.224559 0.666117 0.786527 O\n0.772650 0.665892 0.712702 O\n0.724559 0.333883 0.713473 O\n0.727350 0.665892 0.212702 O\n0.775441 0.333883 0.213473 O\n0.227350 0.334108 0.287298 O\n0.275441 0.666117 0.286527 O\n0.555105 0.237076 0.844616 O\n0.947500 0.768055 0.848598 O\n0.055105 0.762924 0.655384 O\n0.447500 0.231945 0.651402 O\n0.444895 0.762924 0.155384 O\n0.052500 0.231945 0.151402 O\n0.944895 0.237076 0.344616 O\n0.552500 0.768055 0.348598 O\n",
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"formula_full": "Rb12 Na12 Sc8 Mo24 O96",
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{
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"structure_string": "K1 Ca1 Dy1 Se1 O6\n1.0\n0.000000 -4.027259 -4.027259\n4.027259 0.000000 -4.027259\n4.027259 -4.027259 0.000000\nK Ca Dy Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Se\n0.726217 0.273783 0.273783 O\n0.273783 0.726217 0.726217 O\n0.726217 0.273783 0.726217 O\n0.273783 0.726217 0.273783 O\n0.726217 0.726217 0.273783 O\n0.273783 0.273783 0.726217 O\n",
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{
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