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{
"id": "jvasp-17356",
"created_at": "2022-09-04T14:36:34.589771Z",
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"structure_string": "Zn1 Bi1 F6\n1.0\n4.779145 0.130607 3.243797\n1.786887 4.434446 3.243797\n0.187856 0.130607 5.772967\nZn Bi F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n0.411890 0.111405 0.736000 F\n0.111404 0.736001 0.411890 F\n0.264000 0.588111 0.888597 F\n0.888595 0.264001 0.588110 F\n0.588109 0.888598 0.264000 F\n0.735999 0.411891 0.111405 F\n",
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{
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"structure_string": "Mg6 Al1 Cd1\n1.0\n6.239797 -0.022038 0.000000\n-3.138983 5.392803 0.000000\n0.000000 0.000000 5.151614\nMg Al Cd\n6 1 1\ndirect\n0.163858 0.838572 0.250000 Mg\n0.661428 0.336142 0.250000 Mg\n0.665575 0.834424 0.250000 Mg\n0.334747 0.658387 0.749999 Mg\n0.841613 0.165252 0.749999 Mg\n0.834057 0.665943 0.749999 Mg\n0.158443 0.341557 0.250000 Al\n0.340281 0.159719 0.749999 Cd\n",
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{
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"created_at": "2022-09-04T14:36:15.218638Z",
"updated_at": "2022-09-04T14:36:15.218661Z",
"structure_string": "La1 Hf1 Mg6\n1.0\n6.650325 -0.013879 0.000000\n-3.337182 5.752410 0.000000\n0.000000 0.000000 5.150808\nLa Hf Mg\n1 1 6\ndirect\n0.176572 0.323428 0.250000 La\n0.326240 0.173760 0.750000 Hf\n0.184190 0.842708 0.250000 Mg\n0.657292 0.315810 0.250000 Mg\n0.668775 0.831225 0.250000 Mg\n0.336785 0.684551 0.750000 Mg\n0.815450 0.163216 0.750000 Mg\n0.834698 0.665303 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 3.9084053026470333,
"density_atomic": 0.040648830277496974,
"volume": 196.80763125006249,
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"formula_full": "La1 Hf1 Mg6",
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{
"id": "jvasp-106177",
"created_at": "2022-09-04T14:36:12.903078Z",
"updated_at": "2022-09-04T14:36:12.903106Z",
"structure_string": "Mg1 Cr1 F6\n1.0\n4.452807 0.064665 2.876061\n1.598949 4.156325 2.876062\n0.092713 0.064665 5.300059\nMg Cr F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Cr\n0.237756 0.639073 0.883298 F\n0.639073 0.883298 0.237755 F\n0.116702 0.762244 0.360927 F\n0.360927 0.116703 0.762244 F\n0.762244 0.360928 0.116701 F\n0.883298 0.237757 0.639072 F\n",
"nsites": 8,
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"volume": 95.92004989457526,
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"formula_full": "Mg1 Cr1 F6",
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"spacegroup": 148
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{
"id": "jvasp-92912",
"created_at": "2022-09-04T14:36:16.535595Z",
"updated_at": "2022-09-04T14:36:16.535620Z",
"structure_string": "Mg6 Cr1 C1\n1.0\n6.882224 1.642783 0.000000\n-2.018420 6.781572 0.000000\n0.000000 0.000000 3.071884\nMg Cr C\n6 1 1\ndirect\n0.223005 0.965407 0.250000 Mg\n0.534592 0.276995 0.250000 Mg\n0.656914 0.843086 0.250000 Mg\n0.353532 0.611418 0.749999 Mg\n0.888581 0.146467 0.749999 Mg\n0.917327 0.582672 0.749999 Mg\n0.159576 0.340424 0.250000 Cr\n0.266473 0.233527 0.749999 C\n",
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"formula_full": "Mg6 Cr1 C1",
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"spacegroup": 38
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{
"id": "jvasp-3789",
"created_at": "2022-09-04T14:36:10.580887Z",
"updated_at": "2022-09-04T14:36:10.580917Z",
"structure_string": "Ca1 Ti1 F6\n1.0\n5.081383 0.000643 2.934785\n1.694399 4.790559 2.934785\n0.000908 0.000643 5.867999\nCa Ti F\n1 1 6\ndirect\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Ti\n0.772454 0.772454 0.227585 F\n0.772454 0.227585 0.772454 F\n0.227546 0.772414 0.227545 F\n0.227546 0.227545 0.772414 F\n0.772414 0.227545 0.227546 F\n0.227586 0.772454 0.772453 F\n",
"nsites": 8,
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{
"id": "jvasp-93131",
"created_at": "2022-09-04T14:36:13.549444Z",
"updated_at": "2022-09-04T14:36:13.549458Z",
"structure_string": "Ce1 Mg6 Si1\n1.0\n7.161293 0.758143 0.000000\n-2.924076 5.064646 0.000000\n0.000000 0.000000 4.874348\nCe Mg Si\n1 6 1\ndirect\n0.107621 0.303810 0.250000 Ce\n0.622650 0.314858 0.250000 Mg\n0.622650 0.807792 0.250000 Mg\n0.352430 0.177786 0.750000 Mg\n0.352430 0.674646 0.750000 Mg\n0.785182 0.142591 0.750000 Mg\n0.926300 0.713151 0.750000 Mg\n0.230735 0.865367 0.250000 Si\n",
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"formula_full": "Ce1 Mg6 Si1",
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{
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"created_at": "2022-09-04T14:36:18.015352Z",
"updated_at": "2022-09-04T14:36:18.015388Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n8.656928 0.238333 0.000000\n-4.122061 7.139619 0.000000\n0.000000 0.000000 3.335551\nRb Mg C\n1 6 1\ndirect\n0.078515 0.289258 0.250000 Rb\n0.626035 0.373083 0.250000 Mg\n0.626035 0.752950 0.250000 Mg\n0.322104 0.070687 0.750000 Mg\n0.322104 0.751419 0.750000 Mg\n0.643433 0.071717 0.750000 Mg\n0.929607 0.714803 0.750000 Mg\n0.452167 0.976083 0.250000 C\n",
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"formula_full": "Rb1 Mg6 C1",
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{
"id": "jvasp-94111",
"created_at": "2022-09-04T14:36:17.438696Z",
"updated_at": "2022-09-04T14:36:17.438723Z",
"structure_string": "Mg6 V1 Ni1\n1.0\n6.184466 -0.165438 0.000000\n-3.235507 5.273185 0.000000\n0.000000 0.000000 4.682208\nMg V Ni\n6 1 1\ndirect\n0.176899 0.848332 0.250000 Mg\n0.651669 0.323101 0.250000 Mg\n0.672926 0.827075 0.250000 Mg\n0.321498 0.661520 0.750000 Mg\n0.838480 0.178502 0.750000 Mg\n0.831589 0.668411 0.750000 Mg\n0.307549 0.192451 0.750000 V\n0.199391 0.300609 0.250000 Ni\n",
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{
"id": "jvasp-93105",
"created_at": "2022-09-04T14:36:11.056365Z",
"updated_at": "2022-09-04T14:36:11.056377Z",
"structure_string": "Ce1 Mg6 Sb1\n1.0\n6.766315 0.274301 0.000000\n-3.145606 5.448349 0.000000\n0.000000 0.000000 5.242465\nCe Mg Sb\n1 6 1\ndirect\n0.144305 0.322152 0.250000 Ce\n0.651847 0.325587 0.250000 Mg\n0.651847 0.826260 0.250000 Mg\n0.360009 0.185855 0.750001 Mg\n0.360008 0.674155 0.750001 Mg\n0.816571 0.158287 0.750001 Mg\n0.853873 0.676937 0.750001 Mg\n0.161536 0.830769 0.250000 Sb\n",
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{
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"created_at": "2022-09-04T14:36:21.282621Z",
"updated_at": "2022-09-04T14:36:21.282647Z",
"structure_string": "Ba1 Mg6 B1\n1.0\n8.611170 -1.380198 0.000000\n-5.500871 6.767394 0.000000\n0.000000 0.000000 3.964940\nBa Mg B\n1 6 1\ndirect\n0.224617 0.275383 0.250000 Ba\n0.184913 0.858906 0.250000 Mg\n0.641093 0.315086 0.250000 Mg\n0.647519 0.852480 0.250000 Mg\n0.290452 0.703801 0.750000 Mg\n0.796198 0.209547 0.750000 Mg\n0.803481 0.696518 0.750000 Mg\n0.411723 0.088277 0.750000 B\n",
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{
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"structure_string": "Hf1 Mg6 Cu1\n1.0\n6.426673 0.291335 0.000000\n-2.961034 5.128660 0.000000\n0.000000 0.000000 4.869021\nHf Mg Cu\n1 6 1\ndirect\n0.133363 0.816682 0.250000 Hf\n0.637193 0.319213 0.250000 Mg\n0.637193 0.817982 0.250000 Mg\n0.335975 0.165545 0.750000 Mg\n0.335975 0.670431 0.750000 Mg\n0.886966 0.193485 0.750000 Mg\n0.830742 0.665373 0.750000 Mg\n0.202591 0.351294 0.250000 Cu\n",
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