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{
"id": "mp-27292",
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{
"id": "mp-557413",
"created_at": "2022-09-04T14:45:06.203912Z",
"structure_string": "Rb8 Mo12 S4 O52\n1.0\n13.683191 0.000000 0.000000\n0.000000 9.603677 0.000000\n0.000000 5.553511 10.206287\nRb Mo S O\n8 12 4 52\ndirect\n0.685943 0.021241 0.042567 Rb\n0.194628 0.467890 0.050710 Rb\n0.305372 0.467890 0.550710 Rb\n0.805372 0.532110 0.949290 Rb\n0.814057 0.021241 0.542567 Rb\n0.694628 0.532110 0.449290 Rb\n0.185943 0.978759 0.457433 Rb\n0.314057 0.978759 0.957433 Rb\n0.515600 0.806908 0.524790 Mo\n0.438646 0.149651 0.200823 Mo\n0.992902 0.458830 0.366200 Mo\n0.984400 0.806908 0.024790 Mo\n0.061354 0.149651 0.700823 Mo\n0.007098 0.541170 0.633800 Mo\n0.484400 0.193092 0.475210 Mo\n0.492902 0.541170 0.133800 Mo\n0.561354 0.850349 0.799177 Mo\n0.015600 0.193092 0.975210 Mo\n0.938646 0.850349 0.299177 Mo\n0.507098 0.458830 0.866200 Mo\n0.333770 0.750199 0.750608 S\n0.666230 0.249801 0.249392 S\n0.166230 0.750199 0.250608 S\n0.833770 0.249801 0.749392 S\n0.856082 0.423029 0.664391 O\n0.126880 0.610183 0.602243 O\n0.398399 0.843220 0.795083 O\n0.313157 0.168745 0.215772 O\n0.464360 0.329983 0.284244 O\n0.101601 0.843220 0.295083 O\n0.601601 0.156780 0.204917 O\n0.638761 0.825035 0.483970 O\n0.541076 0.638733 0.951984 O\n0.143918 0.576971 0.335609 O\n0.356082 0.576971 0.835609 O\n0.359373 0.796854 0.610465 O\n0.964115 0.987088 0.108915 O\n0.626880 0.389817 0.897757 O\n0.640627 0.203146 0.389535 O\n0.186843 0.168745 0.715772 O\n0.643918 0.423029 0.164391 O\n0.550377 0.971842 0.870224 O\n0.373120 0.610183 0.102243 O\n0.524928 0.325324 0.526038 O\n0.140627 0.796854 0.110465 O\n0.898399 0.156780 0.704917 O\n0.454457 0.346590 0.802713 O\n0.768225 0.218037 0.237118 O\n0.535640 0.670017 0.715756 O\n0.449623 0.028158 0.129776 O\n0.475072 0.674676 0.473962 O\n0.813157 0.831255 0.284228 O\n0.041076 0.361267 0.548016 O\n0.268225 0.781963 0.262882 O\n0.231775 0.781963 0.762882 O\n0.731775 0.218037 0.737118 O\n0.954457 0.653410 0.697287 O\n0.458924 0.361267 0.048016 O\n0.949623 0.971842 0.370224 O\n0.535885 0.987088 0.608915 O\n0.861239 0.825035 0.983970 O\n0.859373 0.203146 0.889535 O\n0.873120 0.389817 0.397757 O\n0.545543 0.653410 0.197287 O\n0.975072 0.325324 0.026038 O\n0.361239 0.174965 0.516030 O\n0.138761 0.174965 0.016030 O\n0.464115 0.012912 0.391085 O\n0.964360 0.670017 0.215756 O\n0.045543 0.346590 0.302713 O\n0.035885 0.012912 0.891085 O\n0.686843 0.831255 0.784228 O\n0.050377 0.028158 0.629776 O\n0.958924 0.638733 0.451984 O\n0.035640 0.329983 0.784244 O\n0.024928 0.674676 0.973962 O\n",
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"formula_full": "Rb8 Mo12 S4 O52",
"formula_reduced": "Rb2Mo3SO13",
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"energy": -568.43707063,
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{
"id": "mp-1227455",
"created_at": "2022-09-04T14:40:56.649551Z",
"structure_string": "Be2 Ga4 O8\n1.0\n3.033954 0.000000 0.000000\n0.000000 7.784475 0.000000\n0.000000 3.828495 6.861183\nBe Ga O\n2 4 8\ndirect\n0.750000 0.824840 0.769203 Be\n0.250000 0.175160 0.230797 Be\n0.750000 0.790761 0.403544 Ga\n0.750000 0.409589 0.839972 Ga\n0.250000 0.209239 0.596456 Ga\n0.250000 0.590411 0.160028 Ga\n0.750000 0.677597 0.672554 O\n0.250000 0.322403 0.327446 O\n0.750000 0.300933 0.669819 O\n0.750000 0.676123 0.009838 O\n0.750000 0.058423 0.283720 O\n0.250000 0.699067 0.330181 O\n0.250000 0.323877 0.990162 O\n0.250000 0.941577 0.716280 O\n",
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"volume": 162.04562976538188,
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"formula_full": "Be2 Ga4 O8",
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},
{
"id": "mp-540784",
"created_at": "2022-09-04T14:46:12.120609Z",
"structure_string": "Rb2 Ti6 O13\n1.0\n1.921675 8.076264 0.000000\n-1.921675 8.076264 0.000000\n0.000000 1.742049 9.073051\nRb Ti O\n2 6 13\ndirect\n0.543898 0.543898 0.253151 Rb\n0.456102 0.456102 0.746849 Rb\n0.885111 0.885111 0.093545 Ti\n0.114889 0.114889 0.906455 Ti\n0.825415 0.825415 0.436445 Ti\n0.174585 0.174585 0.563555 Ti\n0.766900 0.766900 0.778866 Ti\n0.233100 0.233100 0.221134 Ti\n0.000000 0.000000 0.000000 O\n0.761031 0.761031 0.237160 O\n0.238969 0.238969 0.762840 O\n0.916917 0.916917 0.287307 O\n0.083083 0.083083 0.712693 O\n0.703654 0.703654 0.572444 O\n0.296346 0.296346 0.427556 O\n0.861162 0.861162 0.612596 O\n0.138838 0.138838 0.387404 O\n0.642203 0.642203 0.891990 O\n0.357797 0.357797 0.108010 O\n0.832134 0.832134 0.913511 O\n0.167866 0.167866 0.086489 O\n",
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{
"id": "mp-27790",
"created_at": "2022-09-04T14:42:53.530262Z",
"structure_string": "Ba4 Ti20 O44\n1.0\n14.244505 0.000000 0.000000\n0.000000 7.624841 0.000000\n0.000000 6.501776 7.653885\nBa Ti O\n4 20 44\ndirect\n0.582192 0.035207 0.263932 Ba\n0.082192 0.964793 0.236068 Ba\n0.417808 0.964793 0.736068 Ba\n0.917808 0.035207 0.763932 Ba\n0.490102 0.477969 0.269535 Ti\n0.990102 0.522031 0.230465 Ti\n0.509898 0.522031 0.730465 Ti\n0.009898 0.477969 0.769535 Ti\n0.839539 0.704130 0.550975 Ti\n0.339539 0.295870 0.949025 Ti\n0.160461 0.295870 0.449025 Ti\n0.660461 0.704130 0.050975 Ti\n0.824901 0.490381 0.929767 Ti\n0.324901 0.509619 0.570233 Ti\n0.175099 0.509619 0.070233 Ti\n0.675099 0.490381 0.429767 Ti\n0.839671 0.976200 0.154653 Ti\n0.339671 0.023800 0.345347 Ti\n0.160329 0.023800 0.845347 Ti\n0.660329 0.976200 0.654653 Ti\n0.823580 0.238950 0.309723 Ti\n0.323580 0.761050 0.190277 Ti\n0.176420 0.761050 0.690277 Ti\n0.676420 0.238950 0.809723 Ti\n0.928157 0.787267 0.171207 O\n0.428157 0.212733 0.328793 O\n0.071843 0.212733 0.828793 O\n0.571843 0.787267 0.671207 O\n0.896016 0.980142 0.339653 O\n0.396016 0.019858 0.160347 O\n0.103984 0.019858 0.660347 O\n0.603984 0.980142 0.839653 O\n0.902075 0.498904 0.087166 O\n0.402075 0.501096 0.412834 O\n0.097925 0.501096 0.912834 O\n0.597925 0.498904 0.587166 O\n0.912852 0.246401 0.975095 O\n0.412852 0.753599 0.524905 O\n0.087148 0.753599 0.024905 O\n0.587148 0.246401 0.475095 O\n0.908788 0.700670 0.728073 O\n0.926190 0.493883 0.607021 O\n0.073810 0.506117 0.392979 O\n0.573810 0.493883 0.107021 O\n0.916589 0.280516 0.415334 O\n0.416589 0.719484 0.084666 O\n0.083411 0.719484 0.584666 O\n0.583411 0.280516 0.915334 O\n0.748158 0.989216 0.005147 O\n0.248158 0.010784 0.494853 O\n0.251842 0.010784 0.994853 O\n0.751842 0.989216 0.505147 O\n0.740776 0.731469 0.875435 O\n0.240776 0.268531 0.624565 O\n0.259224 0.268531 0.124565 O\n0.759224 0.731469 0.375435 O\n0.759136 0.478832 0.756737 O\n0.259136 0.521168 0.743263 O\n0.240864 0.521168 0.243263 O\n0.740864 0.478832 0.256737 O\n0.739627 0.234265 0.628753 O\n0.239627 0.765735 0.871247 O\n0.260373 0.765735 0.371247 O\n0.760373 0.234265 0.128753 O\n0.591212 0.700670 0.228073 O\n0.091212 0.299330 0.271927 O\n0.408788 0.299330 0.771927 O\n0.426190 0.506117 0.892979 O\n",
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},
{
"id": "mp-560586",
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"structure_string": "Rb2 Ti4 P6 O24\n1.0\n8.293589 -4.209870 0.000000\n8.293589 4.209870 0.000000\n6.156637 0.000000 6.971545\nRb Ti P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.348567 0.348567 0.348567 Ti\n0.849824 0.849824 0.849824 Ti\n0.651433 0.651433 0.651433 Ti\n0.150176 0.150176 0.150176 Ti\n0.969940 0.250542 0.530422 P\n0.530422 0.969940 0.250542 P\n0.250542 0.530422 0.969940 P\n0.749458 0.469578 0.030060 P\n0.030060 0.749458 0.469578 P\n0.469578 0.030060 0.749458 P\n0.559276 0.442139 0.190940 O\n0.486368 0.843867 0.769863 O\n0.294176 0.083726 0.922210 O\n0.442139 0.190940 0.559276 O\n0.352565 0.988576 0.253003 O\n0.705824 0.916274 0.077790 O\n0.916274 0.077790 0.705824 O\n0.769863 0.486368 0.843867 O\n0.809060 0.440724 0.557861 O\n0.156133 0.230137 0.513632 O\n0.988576 0.253003 0.352565 O\n0.190940 0.559276 0.442139 O\n0.557861 0.809060 0.440724 O\n0.011424 0.746997 0.647435 O\n0.230137 0.513632 0.156133 O\n0.077790 0.705824 0.916274 O\n0.083726 0.922210 0.294176 O\n0.843867 0.769863 0.486368 O\n0.922210 0.294176 0.083726 O\n0.647435 0.011424 0.746997 O\n0.253003 0.352565 0.988576 O\n0.513632 0.156133 0.230137 O\n0.440724 0.557861 0.809060 O\n0.746997 0.647435 0.011424 O\n",
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},
{
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"structure_string": "Na4 Ho2 Ta10 O30\n1.0\n12.584783 0.000000 0.000000\n0.000000 12.584783 0.000000\n0.000000 0.000000 3.921885\nNa Ho Ta O\n4 2 10 30\ndirect\n0.672141 0.172141 0.500000 Na\n0.327859 0.827859 0.500000 Na\n0.172141 0.327859 0.500000 Na\n0.827859 0.672141 0.500000 Na\n0.000000 0.000000 0.500000 Ho\n0.500000 0.500000 0.500000 Ho\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.211288 0.078728 0.000000 Ta\n0.788712 0.921272 0.000000 Ta\n0.078728 0.788712 0.000000 Ta\n0.711288 0.421272 0.000000 Ta\n0.921272 0.211288 0.000000 Ta\n0.288712 0.578728 0.000000 Ta\n0.578728 0.711288 0.000000 Ta\n0.421272 0.288712 0.000000 Ta\n0.186910 0.079901 0.500000 O\n0.813090 0.920099 0.500000 O\n0.079901 0.813090 0.500000 O\n0.686910 0.420099 0.500000 O\n0.920099 0.186910 0.500000 O\n0.313090 0.579901 0.500000 O\n0.579901 0.686910 0.500000 O\n0.420099 0.313090 0.500000 O\n0.223776 0.723776 0.000000 O\n0.776224 0.276224 0.000000 O\n0.723776 0.776224 0.000000 O\n0.276224 0.223776 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.057167 0.130468 0.000000 O\n0.942833 0.869532 0.000000 O\n0.130468 0.942833 0.000000 O\n0.557167 0.369532 0.000000 O\n0.869532 0.057167 0.000000 O\n0.442833 0.630468 0.000000 O\n0.630468 0.557167 0.000000 O\n0.369532 0.442833 0.000000 O\n0.340873 0.998012 0.000000 O\n0.659127 0.001988 0.000000 O\n0.998012 0.659127 0.000000 O\n0.840873 0.501988 0.000000 O\n0.001988 0.340873 0.000000 O\n0.159127 0.498012 0.000000 O\n0.498012 0.840873 0.000000 O\n0.501988 0.159127 0.000000 O\n",
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