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{
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{
"id": "jvasp-22885",
"created_at": "2022-09-04T14:37:50.851369Z",
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"structure_string": "Mg6 Be2 Al16 O32\n1.0\n2.863911 -4.960438 -0.000000\n2.863911 4.960438 0.000000\n-0.000000 -0.000000 18.476029\nMg Be Al O\n6 2 16 32\ndirect\n0.000000 0.000000 0.999908 Mg\n0.000000 0.000000 0.499908 Mg\n0.000000 0.000000 0.799367 Mg\n0.000000 0.000000 0.299367 Mg\n0.333333 0.666667 0.733742 Mg\n0.666667 0.333333 0.233742 Mg\n0.333333 0.666667 0.996655 Be\n0.666667 0.333333 0.496655 Be\n0.333333 0.666667 0.267083 Al\n0.666667 0.333333 0.767083 Al\n0.501541 0.498459 0.393589 Al\n0.498458 0.996917 0.893589 Al\n0.996917 0.498458 0.393589 Al\n0.666667 0.333333 0.049555 Al\n0.333333 0.666667 0.549555 Al\n0.003082 0.501541 0.893589 Al\n0.833176 0.666351 0.639232 Al\n0.333649 0.166824 0.639232 Al\n0.666351 0.833176 0.139232 Al\n0.166824 0.333649 0.139232 Al\n0.833176 0.166824 0.639232 Al\n0.498459 0.501541 0.893589 Al\n0.501541 0.003082 0.393589 Al\n0.166824 0.833176 0.139232 Al\n0.323217 0.161608 0.082580 O\n0.838392 0.161608 0.082580 O\n0.161608 0.838392 0.582580 O\n0.676783 0.838392 0.582580 O\n0.838392 0.676783 0.082580 O\n0.000000 0.000000 0.191495 O\n0.519163 0.480836 0.699831 O\n0.480836 0.961673 0.199831 O\n0.961673 0.480836 0.699831 O\n0.480836 0.519163 0.199831 O\n0.038327 0.519164 0.199831 O\n0.519164 0.038327 0.699831 O\n0.161608 0.323217 0.582580 O\n0.000000 0.000000 0.691495 O\n0.666667 0.333333 0.951705 O\n0.814446 0.628892 0.834449 O\n0.185258 0.814742 0.952698 O\n0.814742 0.629483 0.452698 O\n0.370517 0.185258 0.452698 O\n0.629483 0.814742 0.952698 O\n0.185258 0.370517 0.952698 O\n0.814742 0.185258 0.452698 O\n0.333333 0.666667 0.838638 O\n0.666667 0.333333 0.338638 O\n0.371107 0.185554 0.834449 O\n0.185554 0.371107 0.334449 O\n0.333333 0.666667 0.083817 O\n0.628892 0.814446 0.334449 O\n0.185554 0.814446 0.334449 O\n0.814446 0.185554 0.834449 O\n0.333333 0.666667 0.451705 O\n0.666667 0.333333 0.583817 O\n",
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{
"id": "jvasp-23623",
"created_at": "2022-09-04T14:37:41.526646Z",
"updated_at": "2022-09-04T14:37:41.526655Z",
"structure_string": "Nd4 Al12 Pb8 O32\n1.0\n9.611412 -0.000000 0.000000\n-0.000000 9.611412 -0.000000\n0.000000 -0.000000 9.611412\nNd Al Pb O\n4 12 8 32\ndirect\n0.750000 0.250000 0.750000 Nd\n0.250000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750000 0.250000 Nd\n0.500000 0.000000 0.250000 Al\n0.000000 0.250000 0.500000 Al\n0.000000 0.750000 0.500000 Al\n0.750000 0.500000 0.000000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.750000 0.000000 0.500000 Al\n0.250000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.633316 0.633316 0.633316 Pb\n0.133316 0.866684 0.133316 Pb\n0.133316 0.133316 0.866684 Pb\n0.866684 0.133316 0.133316 Pb\n0.366684 0.366684 0.633316 Pb\n0.633316 0.366684 0.366684 Pb\n0.366684 0.633316 0.366684 Pb\n0.866684 0.866684 0.866684 Pb\n0.343133 0.013274 0.343133 O\n0.656867 0.986725 0.343133 O\n0.656867 0.343133 0.986725 O\n0.343133 0.343133 0.013274 O\n0.986725 0.343133 0.656867 O\n0.986725 0.656867 0.343133 O\n0.109010 0.109010 0.109010 O\n0.843132 0.486725 0.843132 O\n0.609010 0.390990 0.609010 O\n0.609010 0.609010 0.390990 O\n0.390990 0.609010 0.609010 O\n0.890990 0.890990 0.109010 O\n0.109010 0.890990 0.890990 O\n0.486725 0.843132 0.843132 O\n0.843132 0.843132 0.486725 O\n0.343133 0.656867 0.986725 O\n0.843132 0.513274 0.156867 O\n0.156867 0.843132 0.513274 O\n0.156867 0.513274 0.843132 O\n0.156867 0.486725 0.156867 O\n0.843132 0.156867 0.513274 O\n0.486725 0.156867 0.156867 O\n0.513274 0.843132 0.156867 O\n0.513274 0.156867 0.843132 O\n0.343133 0.986725 0.656867 O\n0.656867 0.013274 0.656867 O\n0.890990 0.109010 0.890990 O\n0.656867 0.656867 0.013274 O\n0.013274 0.343133 0.343133 O\n0.013274 0.656867 0.656867 O\n0.156867 0.156867 0.486725 O\n0.390990 0.390990 0.390990 O\n",
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{
"id": "jvasp-20975",
"created_at": "2022-09-04T14:38:30.769999Z",
"updated_at": "2022-09-04T14:38:30.770029Z",
"structure_string": "Ba8 Al16 O32\n1.0\n5.279314 -9.144040 -0.000000\n5.279314 9.144040 -0.000000\n0.000000 -0.000000 8.826106\nBa Al O\n8 16 32\ndirect\n0.502361 0.493039 0.758559 Ba\n0.009322 0.502361 0.258559 Ba\n0.493039 0.990677 0.258559 Ba\n0.506960 0.009322 0.758559 Ba\n0.990677 0.497638 0.758559 Ba\n0.497638 0.506960 0.258559 Ba\n0.000000 0.000000 0.744549 Ba\n0.000000 0.000000 0.244549 Ba\n0.823955 0.154571 0.064561 Al\n0.669383 0.823954 0.564561 Al\n0.154572 0.330617 0.564561 Al\n0.845428 0.669383 0.064561 Al\n0.176045 0.845428 0.564561 Al\n0.825854 0.153088 0.451079 Al\n0.672767 0.825854 0.951080 Al\n0.330617 0.176045 0.064561 Al\n0.846912 0.672767 0.451079 Al\n0.327233 0.174146 0.451079 Al\n0.174146 0.846912 0.951080 Al\n0.666667 0.333333 0.948841 Al\n0.333333 0.666667 0.448841 Al\n0.666667 0.333333 0.545103 Al\n0.333333 0.666667 0.045102 Al\n0.153088 0.327233 0.951080 Al\n0.496971 0.181937 0.488112 O\n0.818063 0.315033 0.488112 O\n0.315033 0.496971 0.988112 O\n0.312828 0.312900 0.549853 O\n-0.000073 0.312828 0.049853 O\n0.312901 0.000072 0.049853 O\n0.176921 0.996369 0.478350 O\n0.180552 0.176921 0.978350 O\n0.003630 0.180552 0.478350 O\n0.823078 0.003630 0.978350 O\n0.996369 0.819447 0.978350 O\n0.819447 0.823078 0.478350 O\n0.503028 0.818063 0.988112 O\n0.687099 -0.000073 0.549853 O\n0.181937 0.684966 0.988112 O\n0.318713 0.212436 0.257796 O\n0.678485 0.179400 0.003552 O\n0.499085 0.678485 0.503553 O\n0.179400 0.500914 0.503553 O\n0.820599 0.499085 0.003552 O\n0.500914 0.321514 0.003552 O\n0.321514 0.820599 0.503553 O\n0.787564 0.106277 0.257796 O\n0.681287 0.787564 0.757796 O\n0.106277 0.318713 0.757796 O\n0.893722 0.681287 0.257796 O\n0.687171 0.687099 0.049853 O\n0.212435 0.893722 0.757796 O\n0.666667 0.333333 0.746925 O\n0.333333 0.666667 0.246925 O\n0.684966 0.503028 0.488112 O\n0.000072 0.687171 0.549853 O\n",
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"formula_full": "Ba8 Al16 O32",
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{
"id": "jvasp-25798",
"created_at": "2022-09-04T14:37:39.341825Z",
"updated_at": "2022-09-04T14:37:39.341842Z",
"structure_string": "Tl8 In8 Si8 S32\n1.0\n7.540932 -0.000000 0.000000\n-0.000000 11.941730 0.000000\n0.000000 0.000000 16.779948\nTl In Si S\n8 8 8 32\ndirect\n0.250000 0.362913 0.061475 Tl\n0.250000 0.034221 0.168812 Tl\n0.250000 0.465779 0.668812 Tl\n0.250000 0.137087 0.561475 Tl\n0.750000 0.965779 0.831188 Tl\n0.750000 0.637087 0.938526 Tl\n0.750000 0.862913 0.438525 Tl\n0.750000 0.534221 0.331188 Tl\n0.007304 0.722027 0.151928 In\n0.507304 0.277973 0.848073 In\n0.492696 0.777973 0.651928 In\n0.507304 0.222027 0.348073 In\n0.007304 0.777973 0.651928 In\n0.492696 0.722027 0.151928 In\n0.992696 0.277973 0.848073 In\n0.992696 0.222027 0.348073 In\n0.250000 0.708486 0.831401 Si\n0.750000 0.291514 0.168599 Si\n0.250000 0.819117 0.983143 Si\n0.250000 0.680883 0.483143 Si\n0.750000 0.319117 0.516857 Si\n0.250000 0.791514 0.331401 Si\n0.750000 0.208486 0.668599 Si\n0.750000 0.180883 0.016857 Si\n0.013497 0.847298 0.273784 S\n0.986502 0.347298 0.226216 S\n0.750000 0.412728 0.841844 S\n0.750000 0.599697 0.142804 S\n0.486503 0.847298 0.273784 S\n0.013497 0.652702 0.773784 S\n0.250000 0.858454 0.451894 S\n0.988407 0.366200 0.457562 S\n0.250000 0.641546 0.951894 S\n0.986502 0.152702 0.726216 S\n0.750000 0.386057 0.637284 S\n0.750000 0.113943 0.137284 S\n0.513497 0.347298 0.226216 S\n0.750000 0.141546 0.548106 S\n0.250000 0.099697 0.357196 S\n0.513497 0.152702 0.726216 S\n0.488407 0.633800 0.542438 S\n0.250000 0.400303 0.857196 S\n0.511593 0.366200 0.457562 S\n0.750000 0.900303 0.642804 S\n0.011593 0.866200 0.042438 S\n0.250000 0.912728 0.658156 S\n0.486503 0.652702 0.773784 S\n0.011593 0.633800 0.542438 S\n0.988407 0.133800 0.957562 S\n0.750000 0.358454 0.048106 S\n0.488407 0.866200 0.042438 S\n0.250000 0.587272 0.158156 S\n0.250000 0.886057 0.862716 S\n0.750000 0.087272 0.341844 S\n0.511593 0.133800 0.957562 S\n0.250000 0.613943 0.362716 S\n",
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{
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"created_at": "2022-09-04T14:37:32.957517Z",
"updated_at": "2022-09-04T14:37:32.957541Z",
"structure_string": "Ca8 Ga16 S32\n1.0\n11.341124 0.015419 -3.149712\n-6.541787 9.264252 -3.149712\n-0.014293 -0.027637 11.761278\nCa Ga S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.375000 0.625000 0.250000 Ca\n0.625000 0.375000 0.750000 Ca\n0.622711 0.872711 0.745425 Ca\n0.127288 0.377288 0.754575 Ca\n0.377288 0.127288 0.254575 Ca\n0.872711 0.622712 0.245425 Ca\n0.886295 0.863063 0.998830 Ga\n0.531823 0.641004 0.999655 Ga\n0.358995 0.468177 0.500345 Ga\n0.641349 0.032168 0.500345 Ga\n0.468177 0.358995 0.000345 Ga\n0.358650 0.967832 0.499655 Ga\n0.641004 0.531823 0.499655 Ga\n0.032168 0.641349 0.000345 Ga\n0.387466 0.864234 0.001170 Ga\n0.863063 0.886296 0.498830 Ga\n0.135766 0.612534 0.498830 Ga\n0.113704 0.136936 0.001170 Ga\n0.612534 0.135766 0.998830 Ga\n0.136936 0.113704 0.501170 Ga\n0.967832 0.358650 0.999655 Ga\n0.864233 0.387466 0.501170 Ga\n0.087672 0.587345 0.672284 S\n0.084612 0.084939 0.672284 S\n0.412655 0.912328 0.827716 S\n0.915060 0.915387 0.827716 S\n0.815512 0.149330 0.997496 S\n0.084939 0.084612 0.172284 S\n0.151835 0.318016 0.502505 S\n0.850669 0.184488 0.502505 S\n0.681983 0.848165 0.997496 S\n0.184488 0.850670 0.002505 S\n0.848165 0.681983 0.497496 S\n0.149330 0.815512 0.497495 S\n0.318016 0.151835 0.002505 S\n0.159484 0.346509 0.002673 S\n0.343837 0.656811 0.497328 S\n0.653490 0.840516 0.497328 S\n0.343188 0.656162 0.002673 S\n0.587345 0.087672 0.172284 S\n0.840516 0.653490 0.997328 S\n0.346509 0.159484 0.502673 S\n0.656811 0.343837 0.997328 S\n0.585511 0.085177 0.673360 S\n0.411818 0.412150 0.826641 S\n0.914822 0.414489 0.826641 S\n0.587849 0.588182 0.673360 S\n0.414489 0.914822 0.326641 S\n0.588182 0.587849 0.173360 S\n0.085177 0.585511 0.173359 S\n0.412150 0.411818 0.326641 S\n0.912328 0.412655 0.327716 S\n0.656162 0.343189 0.502673 S\n0.915387 0.915060 0.327716 S\n",
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{
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"updated_at": "2022-09-04T14:37:32.337583Z",
"structure_string": "Ca8 Al16 S32\n1.0\n11.300830 0.036544 -3.105786\n-6.531989 9.221887 -3.105786\n-0.027403 -0.053201 11.735959\nCa Al S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ca\n0.375000 0.625000 0.250000 Ca\n0.625000 0.375000 0.750000 Ca\n0.622976 0.872976 0.745951 Ca\n0.127025 0.377025 0.754049 Ca\n0.377025 0.127024 0.254049 Ca\n0.872975 0.622975 0.245950 Ca\n0.125000 0.875000 0.750000 Ca\n0.530445 0.638485 0.999800 Al\n0.638685 0.030644 0.500200 Al\n0.361515 0.469555 0.500200 Al\n0.969356 0.361315 0.999800 Al\n0.887611 0.864776 0.998899 Al\n0.361315 0.969356 0.499800 Al\n0.638485 0.530445 0.499800 Al\n0.030645 0.638685 0.000200 Al\n0.865877 0.388711 0.501100 Al\n0.135224 0.112389 0.501101 Al\n0.611289 0.134123 0.998899 Al\n0.112389 0.135224 0.001100 Al\n0.134124 0.611289 0.498899 Al\n0.864776 0.887611 0.498899 Al\n0.469555 0.361515 0.000200 Al\n0.388712 0.865877 0.001100 Al\n0.915455 0.415197 0.828839 S\n0.413385 0.413642 0.828839 S\n0.584803 0.084545 0.671161 S\n0.652515 0.340773 0.997787 S\n0.342988 0.154729 0.502213 S\n0.657012 0.845271 0.497786 S\n0.845271 0.657012 0.997786 S\n0.347485 0.659227 0.002213 S\n0.340774 0.652515 0.497787 S\n0.154729 0.342988 0.002213 S\n0.659227 0.347485 0.502213 S\n0.586358 0.586616 0.671161 S\n0.586616 0.586358 0.171160 S\n0.084545 0.584803 0.171161 S\n0.316353 0.155773 0.001831 S\n0.153941 0.814523 0.498169 S\n0.844227 0.683647 0.498169 S\n0.185478 0.846059 0.001831 S\n0.683647 0.844227 0.998169 S\n0.846059 0.185477 0.501830 S\n0.155773 0.316353 0.501831 S\n0.415197 0.915455 0.328839 S\n0.814522 0.153941 0.998169 S\n0.084145 0.083535 0.169924 S\n0.585779 0.086389 0.169923 S\n0.086389 0.585779 0.669924 S\n0.915855 0.916465 0.830076 S\n0.414221 0.913611 0.830076 S\n0.083535 0.084145 0.669924 S\n0.413642 0.413384 0.328839 S\n0.913611 0.414221 0.330076 S\n0.916465 0.915855 0.330076 S\n",
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{
"id": "jvasp-29810",
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