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{
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{
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"volume": 238.7418263253763,
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"formula_full": "Ba1 Ga2 Si1 S6",
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},
{
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"created_at": "2022-09-04T14:48:13.621149Z",
"structure_string": "Ba1 Ga2 Te4\n1.0\n-4.321505 4.321505 3.402963\n4.321505 -4.321505 3.402963\n4.321505 4.321505 -3.402963\nBa Ga Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.918738 0.081262 0.500000 Te\n0.081262 0.581262 0.162525 Te\n0.418738 0.918738 0.837475 Te\n0.581262 0.418738 0.500000 Te\n",
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{
"id": "mp-1189739",
"created_at": "2022-09-04T14:40:08.781669Z",
"structure_string": "Ba4 Y2 Ga2 Te10\n1.0\n2.261039 -10.223487 0.000000\n2.261039 10.223487 0.000000\n0.000000 0.000000 14.351051\nBa Y Ga Te\n4 2 2 10\ndirect\n0.872531 0.127469 0.179072 Ba\n0.127469 0.872531 0.679072 Ba\n0.879022 0.120978 0.817492 Ba\n0.120978 0.879022 0.317492 Ba\n0.794873 0.205127 0.479394 Y\n0.205127 0.794873 0.979394 Y\n0.559058 0.440942 0.075809 Ga\n0.440942 0.559058 0.575809 Ga\n0.647879 0.352121 0.496900 Te\n0.352121 0.647879 0.996900 Te\n0.704050 0.295950 0.835237 Te\n0.295950 0.704050 0.335237 Te\n0.686770 0.313230 0.132745 Te\n0.313230 0.686770 0.632745 Te\n0.498315 0.501685 0.236119 Te\n0.501685 0.498315 0.736119 Te\n0.954488 0.045512 0.467652 Te\n0.045512 0.954488 0.967652 Te\n",
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"updated_at": "2021-11-28T01:34:56.188000Z",
"spacegroup": 36
},
{
"id": "mp-1096058",
"created_at": "2022-09-04T14:39:26.342511Z",
"structure_string": "Ba2 Zn1 Ga1\n1.0\n-6.584391 6.773162 9.287944\n6.584391 -6.773162 9.287944\n6.584391 6.773162 -9.287944\nBa Zn Ga\n2 1 1\ndirect\n0.263926 0.000000 0.263926 Ba\n0.736074 0.000000 0.736074 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
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"formula_full": "Ba2 Zn1 Ga1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "mp-1516504",
"created_at": "2022-09-04T14:43:08.591175Z",
"structure_string": "Ba1 Gd1 In1 W1 O6\n1.0\n0.000000 -4.265685 -4.265685\n4.265685 0.000000 -4.265685\n4.265685 -4.265685 0.000000\nBa Gd In W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Gd\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 W\n0.730054 0.269946 0.269946 O\n0.269946 0.730054 0.730054 O\n0.730054 0.269946 0.730054 O\n0.269946 0.730054 0.269946 O\n0.730054 0.730054 0.269946 O\n0.269946 0.269946 0.730054 O\n",
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"spacegroup": 216
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{
"id": "mp-1516597",
"created_at": "2022-09-04T14:45:15.496300Z",
"structure_string": "Ba4 Gd4 In4 W4 O24\n1.0\n8.529074 0.000000 0.000000\n0.000000 8.548589 0.000000\n0.000000 0.000000 8.517233\nBa Gd In W O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n0.750000 0.750000 0.750000 Gd\n0.250000 0.250000 0.750000 Gd\n0.250000 0.750000 0.250000 Gd\n0.750000 0.250000 0.250000 Gd\n-0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.000000 In\n-0.000000 0.000000 0.500000 In\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.020642 0.233218 0.254879 O\n0.979358 0.766782 0.254879 O\n0.979358 0.233218 0.745121 O\n0.020642 0.766782 0.745121 O\n0.265909 0.020978 0.243052 O\n0.265909 0.979022 0.756948 O\n0.734091 0.979022 0.243052 O\n0.734091 0.020978 0.756948 O\n0.230182 0.255615 0.019727 O\n0.769818 0.255615 0.980273 O\n0.230182 0.744385 0.980273 O\n0.769818 0.744385 0.019727 O\n0.479358 0.266782 0.245121 O\n0.520642 0.733218 0.245121 O\n0.520642 0.266782 0.754879 O\n0.479358 0.733218 0.754879 O\n0.234091 0.479022 0.256948 O\n0.234091 0.520978 0.743052 O\n0.765909 0.520978 0.256948 O\n0.765909 0.479022 0.743052 O\n0.269818 0.244385 0.480273 O\n0.730182 0.244385 0.519727 O\n0.269818 0.755615 0.519727 O\n0.730182 0.755615 0.480273 O\n",
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{
"id": "mp-1190744",
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"structure_string": "Ba6 Gd2 In2 S12\n1.0\n5.848058 -6.129598 0.000000\n5.848058 6.129598 0.000000\n-0.576634 0.000000 8.452174\nBa Gd In S\n6 2 2 12\ndirect\n0.869109 0.630891 0.250000 Ba\n0.250000 0.869109 0.630891 Ba\n0.630891 0.250000 0.869109 Ba\n0.750000 0.130891 0.369109 Ba\n0.369109 0.750000 0.130891 Ba\n0.130891 0.369109 0.750000 Ba\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.199956 0.538921 0.410398 S\n0.410398 0.199956 0.538921 S\n0.538921 0.410398 0.199956 S\n0.910398 0.038921 0.699956 S\n0.699956 0.910398 0.038921 S\n0.038921 0.699956 0.910398 S\n0.800044 0.461079 0.589602 S\n0.589602 0.800044 0.461079 S\n0.461079 0.589602 0.800044 S\n0.089602 0.961079 0.300044 S\n0.300044 0.089602 0.961079 S\n0.961079 0.300044 0.089602 S\n",
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{
"id": "mp-1228796",
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"structure_string": "Ba6 Gd2 Ir2 Ru2 O18\n1.0\n2.988382 -5.176030 0.000000\n2.988382 5.176030 0.000000\n0.000000 0.000000 14.826601\nBa Gd Ir Ru O\n6 2 2 2 18\ndirect\n0.666667 0.333333 0.403182 Ba\n0.333333 0.666667 0.597645 Ba\n0.333333 0.666667 0.903182 Ba\n0.666667 0.333333 0.097645 Ba\n0.000000 0.000000 0.749913 Ba\n0.000000 0.000000 0.249913 Ba\n0.000000 0.000000 0.501152 Gd\n0.000000 0.000000 0.001152 Gd\n0.666667 0.333333 0.665257 Ir\n0.333333 0.666667 0.165257 Ir\n0.333333 0.666667 0.335971 Ru\n0.666667 0.333333 0.835971 Ru\n0.510267 0.020534 0.750556 O\n0.510267 0.489733 0.750556 O\n0.979466 0.489733 0.750556 O\n0.489733 0.979466 0.250556 O\n0.489733 0.510267 0.250556 O\n0.020534 0.510267 0.250556 O\n0.823341 0.646682 0.909907 O\n0.823341 0.176659 0.909907 O\n0.353318 0.176659 0.909907 O\n0.176307 0.352613 0.088407 O\n0.176307 0.823693 0.088407 O\n0.647387 0.823693 0.088407 O\n0.176659 0.353318 0.409907 O\n0.176659 0.823341 0.409907 O\n0.646682 0.823341 0.409907 O\n0.823693 0.647387 0.588407 O\n0.823693 0.176307 0.588407 O\n0.352613 0.176307 0.588407 O\n",
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{
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"structure_string": "K2 Ba2 Gd2 Mo6 O24\n1.0\n6.204251 8.841583 0.000000\n-6.204251 8.841583 0.000000\n0.000000 1.510273 5.203103\nK Ba Gd Mo O\n2 2 2 6 24\ndirect\n0.709328 0.962230 0.172785 K\n0.037770 0.290672 0.827215 K\n0.290133 0.042028 0.325695 Ba\n0.957972 0.709867 0.674305 Ba\n0.622164 0.377836 0.000000 Gd\n0.384273 0.615727 0.500000 Gd\n0.850451 0.149549 0.500000 Mo\n0.150705 0.849295 0.000000 Mo\n0.546405 0.766608 0.850080 Mo\n0.233392 0.453595 0.149920 Mo\n0.454256 0.233257 0.649155 Mo\n0.766743 0.545744 0.350845 Mo\n0.613086 0.537740 0.595806 O\n0.462260 0.386914 0.404194 O\n0.384877 0.463828 0.904585 O\n0.536173 0.615123 0.095415 O\n0.013171 0.143186 0.325151 O\n0.856814 0.986829 0.674849 O\n0.989337 0.853400 0.176638 O\n0.146600 0.010663 0.823362 O\n0.761894 0.698238 0.135188 O\n0.301762 0.238106 0.864812 O\n0.240178 0.300207 0.362038 O\n0.699793 0.759822 0.637962 O\n0.730110 0.192590 0.283322 O\n0.807410 0.269890 0.716678 O\n0.269052 0.809790 0.220160 O\n0.190210 0.730948 0.779840 O\n0.797170 0.425275 0.144858 O\n0.574725 0.202830 0.855142 O\n0.201246 0.576401 0.356257 O\n0.423599 0.798754 0.643743 O\n0.491480 0.094508 0.493517 O\n0.905492 0.508520 0.506483 O\n0.505148 0.905175 0.006938 O\n0.094825 0.494852 0.993062 O\n",
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