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{
"id": "mp-1228971",
"created_at": "2022-09-04T14:45:31.291528Z",
"structure_string": "Al2 V18 Au4\n1.0\n4.850229 0.000000 0.000000\n0.000000 4.857237 0.000000\n0.000000 0.000000 14.551542\nAl V Au\n2 18 4\ndirect\n0.500000 0.500000 0.834310 Al\n0.500000 0.500000 0.165690 Al\n0.000000 0.500000 0.917683 V\n0.000000 0.500000 0.249972 V\n0.000000 0.500000 0.579896 V\n0.500000 0.252386 0.670715 V\n0.500000 0.253929 0.000000 V\n0.500000 0.252386 0.329285 V\n0.743115 0.000000 0.833472 V\n0.743115 0.000000 0.166528 V\n0.752501 0.000000 0.500000 V\n0.000000 0.500000 0.750028 V\n0.000000 0.500000 0.082317 V\n0.000000 0.500000 0.420104 V\n0.500000 0.747614 0.670715 V\n0.500000 0.746071 0.000000 V\n0.500000 0.747614 0.329285 V\n0.256885 0.000000 0.833472 V\n0.256885 0.000000 0.166528 V\n0.247499 0.000000 0.500000 V\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.666521 Au\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.333479 Au\n",
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{
"id": "mp-27468",
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"structure_string": "U2 Bi1 N2\n1.0\n-1.949858 1.949858 6.297760\n1.949858 -1.949858 6.297760\n1.949858 1.949858 -6.297760\nU Bi N\n2 1 2\ndirect\n0.339856 0.339856 0.000000 U\n0.660145 0.660145 0.000000 U\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n",
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},
{
"id": "mp-1208007",
"created_at": "2022-09-04T14:45:31.338009Z",
"structure_string": "Tm2 Al20 Fe4\n1.0\n4.461360 -5.048921 0.000000\n4.461360 5.048921 0.000000\n0.000000 0.000000 8.949775\nTm Al Fe\n2 20 4\ndirect\n0.874808 0.125192 0.750000 Tm\n0.125192 0.874808 0.250000 Tm\n0.625721 0.374279 0.547472 Al\n0.374279 0.625721 0.452528 Al\n0.374279 0.625721 0.047472 Al\n0.625721 0.374279 0.952528 Al\n0.226870 0.226870 0.500000 Al\n0.773130 0.773130 0.500000 Al\n0.773130 0.773130 0.000000 Al\n0.226870 0.226870 0.000000 Al\n0.843372 0.156628 0.096323 Al\n0.156628 0.843372 0.903677 Al\n0.156628 0.843372 0.596323 Al\n0.843372 0.156628 0.403677 Al\n0.865907 0.584724 0.750000 Al\n0.134093 0.415276 0.250000 Al\n0.415276 0.134093 0.750000 Al\n0.584724 0.865907 0.250000 Al\n0.220261 0.476537 0.750000 Al\n0.779739 0.523463 0.250000 Al\n0.523463 0.779739 0.750000 Al\n0.476537 0.220261 0.250000 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 26,
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"elements": [
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"Fe"
],
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"density": 4.533992560793709,
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"volume": 403.1883337724374,
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"formula_full": "Tm2 Al20 Fe4",
"formula_reduced": "Tm(Al5Fe)2",
"formula_anonymous": "AB2C10",
"energy": -126.81313543999998,
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"updated_at": "2021-11-28T01:37:11.455000Z",
"spacegroup": 63
},
{
"id": "mp-13138",
"created_at": "2022-09-04T14:45:31.373097Z",
"structure_string": "Cu6 Sn2\n1.0\n2.770230 -4.798179 0.000000\n2.770230 4.798179 0.000000\n0.000000 0.000000 4.349665\nCu Sn\n6 2\ndirect\n0.156061 0.843939 0.750000 Cu\n0.312122 0.156061 0.250000 Cu\n0.843939 0.687878 0.250000 Cu\n0.156061 0.312122 0.750000 Cu\n0.687878 0.843939 0.750000 Cu\n0.843939 0.156061 0.250000 Cu\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
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"elements": [
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"density": 8.88481370954905,
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"volume": 115.63201119737353,
"volume_molar": 8.704403097405994,
"formula_full": "Cu6 Sn2",
"formula_reduced": "Cu3Sn",
"formula_anonymous": "AB3",
"energy": -32.61241801,
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"updated_at": "2021-11-28T01:37:01.342000Z",
"spacegroup": 194
},
{
"id": "mp-1198018",
"created_at": "2022-09-04T14:45:31.380199Z",
"structure_string": "Cd4 Mo30 Se38\n1.0\n19.582351 -4.896413 0.000000\n19.582351 4.896413 0.000000\n18.358041 0.000000 8.391999\nCd Mo Se\n4 30 38\ndirect\n0.885965 0.885965 0.885965 Cd\n0.385965 0.385965 0.385965 Cd\n0.114035 0.114035 0.114035 Cd\n0.614035 0.614035 0.614035 Cd\n0.811915 0.999522 0.128808 Mo\n0.128808 0.811915 0.999522 Mo\n0.999522 0.128808 0.811915 Mo\n0.628808 0.499522 0.311915 Mo\n0.311915 0.628808 0.499522 Mo\n0.499522 0.311915 0.628808 Mo\n0.188085 0.000478 0.871192 Mo\n0.871192 0.188085 0.000478 Mo\n0.000478 0.871192 0.188085 Mo\n0.371192 0.500478 0.688085 Mo\n0.688085 0.371192 0.500478 Mo\n0.500478 0.688085 0.371192 Mo\n0.638490 0.778160 0.951976 Mo\n0.951976 0.638490 0.778160 Mo\n0.778160 0.951976 0.638490 Mo\n0.451976 0.278160 0.138490 Mo\n0.138490 0.451976 0.278160 Mo\n0.278160 0.138490 0.451976 Mo\n0.361510 0.221840 0.048024 Mo\n0.048024 0.361510 0.221840 Mo\n0.221840 0.048024 0.361510 Mo\n0.548024 0.721840 0.861510 Mo\n0.861510 0.548024 0.721840 Mo\n0.721840 0.861510 0.548024 Mo\n0.590806 0.909194 0.750000 Mo\n0.750000 0.590806 0.909194 Mo\n0.909194 0.750000 0.590806 Mo\n0.250000 0.409194 0.090806 Mo\n0.090806 0.250000 0.409194 Mo\n0.409194 0.090806 0.250000 Mo\n0.943168 0.699575 0.306554 Se\n0.306554 0.943168 0.699575 Se\n0.699575 0.306554 0.943168 Se\n0.806554 0.199575 0.443168 Se\n0.443168 0.806554 0.199575 Se\n0.199575 0.443168 0.806554 Se\n0.056832 0.300425 0.693446 Se\n0.693446 0.056832 0.300425 Se\n0.300425 0.693446 0.056832 Se\n0.193446 0.800425 0.556832 Se\n0.556832 0.193446 0.800425 Se\n0.800425 0.556832 0.193446 Se\n0.458950 0.077621 0.820402 Se\n0.820402 0.458950 0.077620 Se\n0.077621 0.820402 0.458950 Se\n0.320402 0.577620 0.958950 Se\n0.958950 0.320402 0.577621 Se\n0.577621 0.958950 0.320402 Se\n0.541050 0.922379 0.179598 Se\n0.179598 0.541050 0.922380 Se\n0.922380 0.179598 0.541050 Se\n0.679598 0.422380 0.041050 Se\n0.041050 0.679598 0.422380 Se\n0.422380 0.041050 0.679598 Se\n0.056410 0.443590 0.750000 Se\n0.750000 0.056410 0.443590 Se\n0.443590 0.750000 0.056410 Se\n0.250000 0.943590 0.556410 Se\n0.556410 0.250000 0.943590 Se\n0.943590 0.556410 0.250000 Se\n0.945091 0.945091 0.945091 Se\n0.445091 0.445091 0.445091 Se\n0.054909 0.054909 0.054909 Se\n0.554909 0.554909 0.554909 Se\n0.824534 0.824534 0.824534 Se\n0.324534 0.324534 0.324534 Se\n0.175466 0.175466 0.175466 Se\n0.675466 0.675466 0.675466 Se\n",
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"Mo",
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"density": 6.529794466988012,
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"formula_full": "Cd4 Mo30 Se38",
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"spacegroup": 167
},
{
"id": "mp-1216241",
"created_at": "2022-09-04T14:45:31.422672Z",
"structure_string": "V1 Re1 Mo1\n1.0\n0.000000 2.221454 6.494238\n1.543467 0.000000 6.494238\n1.543467 2.221454 0.000000\nV Re Mo\n1 1 1\ndirect\n0.668301 0.668301 0.331699 V\n0.329043 0.329043 0.670957 Re\n0.002657 0.002657 0.997343 Mo\n",
"nsites": 3,
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"formula_full": "V1 Re1 Mo1",
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"updated_at": "2021-11-28T01:36:59.546000Z",
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{
"id": "mp-20655",
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"structure_string": "Sm4 Ge4 Ru4\n1.0\n4.531306 0.000000 0.000000\n0.000000 7.215533 0.000000\n0.000000 0.000000 7.216416\nSm Ge Ru\n4 4 4\ndirect\n0.250000 0.188258 0.979369 Sm\n0.750000 0.811742 0.020631 Sm\n0.750000 0.688258 0.520631 Sm\n0.250000 0.311742 0.479369 Sm\n0.250000 0.893981 0.302733 Ge\n0.750000 0.106019 0.697267 Ge\n0.750000 0.393981 0.197267 Ge\n0.250000 0.606019 0.802733 Ge\n0.250000 0.566903 0.151497 Ru\n0.750000 0.433097 0.848503 Ru\n0.750000 0.066903 0.348503 Ru\n0.250000 0.933097 0.651497 Ru\n",
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{
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