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{
"id": "mp-1234189",
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{
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"structure_string": "Lu2 Te6\n1.0\n2.157249 -12.819037 0.000000\n2.157249 12.819037 0.000000\n0.000000 0.000000 4.323017\nLu Te\n2 6\ndirect\n0.170287 0.829713 0.750000 Lu\n0.829713 0.170287 0.250000 Lu\n0.924513 0.075487 0.750000 Te\n0.075487 0.924513 0.250000 Te\n0.575595 0.424405 0.750000 Te\n0.424405 0.575595 0.250000 Te\n0.293036 0.706964 0.750000 Te\n0.706964 0.293036 0.250000 Te\n",
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{
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"created_at": "2022-09-04T14:46:29.480260Z",
"structure_string": "Ba4 Fe12 Si16 S4 O44\n1.0\n5.349807 0.000000 0.000000\n0.000000 9.306483 0.000000\n0.000000 0.000000 20.025520\nBa Fe Si S O\n4 12 16 4 44\ndirect\n0.667996 0.000000 0.248811 Ba\n0.332004 0.000000 0.751189 Ba\n0.832004 0.500000 0.748811 Ba\n0.167996 0.500000 0.251189 Ba\n0.000000 0.334285 0.500000 Fe\n0.000000 0.665715 0.500000 Fe\n0.500000 0.165715 0.000000 Fe\n0.500000 0.834285 0.000000 Fe\n0.000000 0.350486 0.000000 Fe\n0.000000 0.649514 0.000000 Fe\n0.500000 0.149514 0.500000 Fe\n0.500000 0.850486 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.167779 0.166573 0.138321 Si\n0.832221 0.833427 0.861679 Si\n0.832221 0.166573 0.861679 Si\n0.332221 0.333427 0.638321 Si\n0.167779 0.833427 0.138321 Si\n0.667779 0.666573 0.361679 Si\n0.667779 0.333427 0.361679 Si\n0.332221 0.666573 0.638321 Si\n0.168246 0.167878 0.360876 Si\n0.831754 0.832122 0.639124 Si\n0.831754 0.167878 0.639124 Si\n0.331754 0.332122 0.860876 Si\n0.168246 0.832122 0.360876 Si\n0.668246 0.667878 0.139124 Si\n0.668246 0.332122 0.139124 Si\n0.331754 0.667878 0.860876 Si\n0.664494 0.000000 0.086877 S\n0.335506 0.000000 0.913123 S\n0.835506 0.500000 0.586877 S\n0.164494 0.500000 0.413123 S\n0.168189 0.000000 0.173698 O\n0.831811 0.000000 0.826302 O\n0.331811 0.500000 0.673698 O\n0.668189 0.500000 0.326302 O\n0.160534 0.170920 0.058677 O\n0.839466 0.829080 0.941323 O\n0.839466 0.170920 0.941323 O\n0.339466 0.329080 0.558677 O\n0.160534 0.829080 0.058677 O\n0.660534 0.670920 0.441323 O\n0.660534 0.329080 0.441323 O\n0.339466 0.670920 0.558677 O\n0.413506 0.254113 0.173708 O\n0.586494 0.745887 0.826292 O\n0.586494 0.254113 0.826292 O\n0.086494 0.245887 0.673708 O\n0.413506 0.745887 0.173708 O\n0.913506 0.754113 0.326292 O\n0.913506 0.245887 0.326292 O\n0.086494 0.754113 0.673708 O\n0.165965 0.171371 0.439973 O\n0.834035 0.828629 0.560027 O\n0.834035 0.171371 0.560027 O\n0.334035 0.328629 0.939973 O\n0.165965 0.828629 0.439973 O\n0.665965 0.671371 0.060027 O\n0.665965 0.328629 0.060027 O\n0.334035 0.671371 0.939973 O\n0.170343 0.000000 0.328265 O\n0.829657 0.000000 0.671735 O\n0.329657 0.500000 0.828265 O\n0.670343 0.500000 0.171735 O\n0.315777 0.000000 0.556682 O\n0.684223 0.000000 0.443318 O\n0.184223 0.500000 0.056682 O\n0.815777 0.500000 0.943318 O\n0.423474 0.245057 0.326040 O\n0.576526 0.754943 0.673960 O\n0.576526 0.245057 0.673960 O\n0.076526 0.254943 0.826040 O\n0.423474 0.754943 0.326040 O\n0.923474 0.745057 0.173960 O\n0.923474 0.254943 0.173960 O\n0.076526 0.745057 0.826040 O\n",
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"formula_full": "Ba4 Fe12 Si16 S4 O44",
"formula_reduced": "BaFe3Si4SO11",
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{
"id": "mp-1446564",
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"structure_string": "Li2 Fe2 F6\n1.0\n2.583218 -4.362176 0.000000\n2.583218 4.362176 0.000000\n0.000000 0.000000 4.831859\nLi Fe F\n2 2 6\ndirect\n0.498572 0.501428 0.250000 Li\n0.501428 0.498572 0.750000 Li\n0.165442 0.834558 0.750000 Fe\n0.834558 0.165442 0.250000 Fe\n0.817505 0.817505 0.500000 F\n0.186144 0.508076 0.500554 F\n0.491924 0.813856 0.999446 F\n0.508076 0.186144 0.499446 F\n0.813856 0.491924 0.000554 F\n0.182495 0.182495 0.000000 F\n",
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{
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"structure_string": "Te2 Mo4 Se6\n1.0\n1.691287 -2.929395 0.000000\n1.691287 2.929395 0.000000\n0.000000 0.000000 38.401514\nTe Mo Se\n2 4 6\ndirect\n0.333333 0.666667 0.706427 Te\n0.333333 0.666667 0.608647 Te\n0.333333 0.666667 0.093911 Mo\n0.333333 0.666667 0.469665 Mo\n0.666667 0.333333 0.281797 Mo\n0.666667 0.333333 0.657554 Mo\n0.333333 0.666667 0.324865 Se\n0.666667 0.333333 0.050860 Se\n0.666667 0.333333 0.426597 Se\n0.666667 0.333333 0.136986 Se\n0.666667 0.333333 0.512718 Se\n0.333333 0.666667 0.238721 Se\n",
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{
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{
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"structure_string": "Li4 V3 Ni1 O8\n1.0\n2.969270 5.167386 0.000000\n-2.969270 5.167386 0.000000\n0.000000 3.430759 4.879322\nLi V Ni O\n4 3 1 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Ni\n0.740213 0.740213 0.765059 O\n0.728324 0.263466 0.772649 O\n0.263466 0.728324 0.772649 O\n0.259787 0.259787 0.234941 O\n0.246374 0.246374 0.773938 O\n0.271676 0.736534 0.227351 O\n0.736534 0.271676 0.227351 O\n0.753626 0.753626 0.226062 O\n",
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{
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"structure_string": "Li12 Ir2 N8\n1.0\n6.745371 0.000000 0.000000\n0.000000 6.745371 0.000000\n0.000000 0.000000 4.877324\nLi Ir N\n12 2 8\ndirect\n0.000000 0.500000 0.600959 Li\n0.500000 0.000000 0.899041 Li\n0.500000 0.000000 0.399041 Li\n0.000000 0.500000 0.100959 Li\n0.212414 0.212414 0.500000 Li\n0.787586 0.787586 0.500000 Li\n0.712414 0.712414 0.000000 Li\n0.287586 0.287586 0.000000 Li\n0.787586 0.212414 0.500000 Li\n0.212414 0.787586 0.500000 Li\n0.287586 0.712414 0.000000 Li\n0.712414 0.287586 0.000000 Li\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.248122 0.500000 0.317819 N\n0.751878 0.500000 0.317819 N\n0.748122 0.000000 0.182181 N\n0.251878 0.000000 0.182181 N\n0.500000 0.248122 0.682181 N\n0.500000 0.751878 0.682181 N\n0.000000 0.748122 0.817819 N\n0.000000 0.251878 0.817819 N\n",
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{
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"formula_full": "Li2 Bi1 Au1",
"formula_reduced": "Li2BiAu",
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{
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"structure_string": "Li2 Ca1 N2\n1.0\n1.741474 -3.016321 0.000000\n1.741474 3.016321 0.000000\n0.000000 0.000000 5.769857\nLi Ca N\n2 1 2\ndirect\n0.666667 0.333333 0.115932 Li\n0.333333 0.666667 0.884068 Li\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.755649 N\n0.333333 0.666667 0.244351 N\n",
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{
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"created_at": "2022-09-04T14:46:29.483119Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.447157 4.930134 0.000000\n-1.447157 4.930134 0.000000\n0.000000 1.965586 17.728269\nLi Mn Co O\n8 2 4 14\ndirect\n0.288015 0.288015 0.920809 Li\n0.861899 0.861899 0.790458 Li\n0.435771 0.435771 0.647914 Li\n0.996413 0.996413 0.506288 Li\n0.574412 0.574412 0.351440 Li\n0.141516 0.141516 0.211782 Li\n0.709818 0.709818 0.069046 Li\n0.567255 0.567255 0.858017 Li\n0.996929 0.996929 0.993605 Mn\n0.285090 0.285090 0.428978 Mn\n0.149276 0.149276 0.727817 Co\n0.711928 0.711928 0.577253 Co\n0.856683 0.856683 0.282004 Co\n0.429413 0.429413 0.141171 Co\n0.370585 0.370585 0.033134 O\n0.930808 0.930808 0.902271 O\n0.517265 0.517265 0.746510 O\n0.078581 0.078581 0.603979 O\n0.660423 0.660423 0.461299 O\n0.221901 0.221901 0.328715 O\n0.794414 0.794414 0.176122 O\n0.217146 0.217146 0.816662 O\n0.772237 0.772237 0.679440 O\n0.346321 0.346321 0.529907 O\n0.911600 0.911600 0.396274 O\n0.494052 0.494052 0.247754 O\n0.057403 0.057403 0.102790 O\n0.622845 0.622845 0.968560 O\n",
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],
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"formula_full": "Li8 Mn2 Co4 O14",
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}