# XRD pattern mp_id: mp-16916 formula: Ca6FeN5 type: HEA radiation: Cu Kα wavelength: 1.5418 A # generated using pymatgen 2theta(deg) intensity(%) hkl 14.5001 62.80 (0,0,0,2) 21.9976 46.74 (0,1,-1,-2) 21.9976 46.74 (0,1,-1,2) 21.9976 46.74 (1,0,-1,-2) 21.9976 46.74 (1,0,-1,2) 21.9979 46.74 (1,-1,0,2) 21.9979 46.74 (1,-1,0,-2) 28.6985 6.36 (1,1,-2,0) 28.6990 6.36 (1,-2,1,0) 28.6992 6.36 (2,-1,-1,0) 29.2392 46.94 (0,0,0,4) 29.6347 25.52 (1,1,-2,-1) 29.6347 25.52 (1,1,-2,1) 29.6352 25.51 (1,-2,1,1) 29.6352 25.51 (1,-2,1,-1) 29.6354 51.02 (2,-1,-1,1) 32.2959 1.65 (2,-1,-1,2) 33.2580 60.09 (0,2,-2,0) 33.2581 60.09 (2,0,-2,0) 33.2587 60.09 (2,-2,0,0) 33.7323 22.22 (0,1,-1,-4) 33.7323 22.22 (0,1,-1,4) 33.7324 22.22 (1,0,-1,-4) 33.7324 22.22 (1,0,-1,4) 33.7325 22.22 (1,-1,0,4) 33.7325 22.22 (1,-1,0,-4) 36.3424 50.00 (1,1,-2,-3) 36.3424 50.00 (1,1,-2,3) 36.3428 50.00 (1,-2,1,3) 36.3429 50.00 (1,-2,1,-3) 36.3430 100.00 (2,-1,-1,3) 36.4518 5.08 (0,2,-2,-2) 36.4518 5.08 (0,2,-2,2) 36.4519 5.08 (2,0,-2,-2) 36.4519 5.08 (2,0,-2,2) 36.4525 5.08 (2,-2,0,2) 36.4525 5.08 (2,-2,0,-2) 41.4315 36.28 (1,1,-2,-4) 41.4315 36.28 (1,1,-2,4) 41.4319 36.28 (1,-2,1,4) 41.4319 36.28 (1,-2,1,-4) 41.4320 36.28 (2,-1,-1,4) 41.4320 36.28 (2,-1,-1,-4) 44.4940 11.89 (0,0,0,6) 44.8627 7.54 (0,2,-2,-4) 44.8628 7.54 (0,2,-2,4) 44.8629 7.54 (2,0,-2,-4) 44.8629 7.54 (2,0,-2,4) 44.8633 7.54 (2,-2,0,4) 44.8634 7.54 (2,-2,0,-4) 45.1376 7.14 (1,2,-3,-1) 45.1376 7.14 (1,2,-3,1) 45.1377 7.14 (2,1,-3,-1) 45.1377 7.14 (2,1,-3,1) 45.1382 7.14 (1,-3,2,1) 45.1382 7.14 (1,-3,2,-1) 45.1384 14.29 (3,-1,-2,1) 45.1386 7.14 (2,-3,1,1) 45.1386 7.14 (2,-3,1,-1) 45.1387 14.29 (3,-2,-1,1) 47.0377 3.44 (1,2,-3,-2) 47.0377 3.44 (1,2,-3,2) 47.0378 3.44 (2,1,-3,-2) 47.0378 3.44 (2,1,-3,2) 47.0382 3.44 (1,-3,2,2) 47.0383 3.44 (1,-3,2,-2) 47.0385 6.87 (3,-1,-2,2) 47.0387 3.43 (2,-3,1,2) 47.0387 3.43 (2,-3,1,-2) 47.0388 3.43 (3,-2,-1,2) 47.0388 3.43 (3,-2,-1,-2) 47.3063 14.52 (1,1,-2,-5) 47.3064 14.52 (1,1,-2,5) 47.3067 14.52 (1,-2,1,5) 47.3067 14.52 (1,-2,1,-5) 47.3068 29.04 (2,-1,-1,5) 47.7492 3.58 (0,1,-1,-6) 47.7493 3.58 (0,1,-1,6) 47.7493 3.58 (1,0,-1,-6) 47.7493 3.58 (1,0,-1,6) 47.7494 3.58 (1,-1,0,6) 47.7494 3.58 (1,-1,0,-6) 50.0812 2.87 (1,2,-3,-3) 50.0812 2.87 (1,2,-3,3) 50.0813 2.87 (2,1,-3,-3) 50.0813 2.87 (2,1,-3,3) 50.0817 2.86 (1,-3,2,3) 50.0818 2.86 (1,-3,2,-3) 50.0820 5.73 (3,-1,-2,3) 50.0821 2.86 (2,-3,1,3) 50.0822 2.86 (2,-3,1,-3) 50.0823 2.86 (3,-2,-1,3) 50.0823 2.86 (3,-2,-1,-3) 50.8412 38.81 (0,3,-3,0) 50.8414 38.81 (3,0,-3,0) 50.8424 38.81 (3,-3,0,0) 53.1573 1.58 (0,3,-3,-2) 53.1574 1.58 (0,3,-3,2) 53.1576 1.58 (3,0,-3,-2) 53.1576 1.58 (3,0,-3,2) 53.1585 1.58 (3,-3,0,2) 53.1585 1.58 (3,-3,0,-2) 54.1293 1.54 (1,2,-3,-4) 54.1293 1.54 (1,2,-3,4) 54.1293 1.54 (2,1,-3,-4) 54.1294 1.54 (2,1,-3,4) 54.1298 1.54 (1,-3,2,4) 54.1298 1.54 (1,-3,2,-4) 54.1300 3.09 (3,-1,-2,4) 54.1301 1.54 (2,-3,1,4) 54.1302 1.54 (2,-3,1,-4) 54.1303 1.54 (3,-2,-1,4) 54.1303 1.54 (3,-2,-1,-4) 56.6649 2.93 (0,2,-2,-6) 56.6650 2.93 (0,2,-2,6) 56.6650 2.93 (2,0,-2,-6) 56.6651 2.93 (2,0,-2,6) 56.6654 2.93 (2,-2,0,6) 56.6654 2.93 (2,-2,0,-6) 59.9556 1.29 (2,2,-4,-1) 59.9556 1.29 (2,2,-4,1) 59.9567 1.29 (2,-4,2,1) 59.9567 1.29 (2,-4,2,-1) 59.9570 1.29 (4,-2,-2,1) 59.9570 1.29 (4,-2,-2,-1) 60.6361 43.23 (0,0,0,8) 60.8590 5.08 (1,1,-2,-7) 60.8590 5.08 (1,1,-2,7) 60.8592 5.08 (1,-2,1,7) 60.8593 5.08 (1,-2,1,-7) 60.8593 10.15 (2,-1,-1,7) 62.6308 4.71 (1,3,-4,-1) 62.6308 4.71 (1,3,-4,1) 62.6309 4.71 (3,1,-4,-1) 62.6309 4.71 (3,1,-4,1) 62.6314 4.70 (1,-4,3,1) 62.6314 4.70 (1,-4,3,-1) 62.6318 4.70 (4,-1,-3,-1) 62.6318 4.70 (4,-1,-3,1) 62.6323 4.70 (3,-4,1,1) 62.6323 4.70 (3,-4,1,-1) 62.6325 4.70 (4,-3,-1,1) 62.6325 4.70 (4,-3,-1,-1) 64.0896 3.23 (2,2,-4,-3) 64.0896 3.23 (2,2,-4,3) 64.0907 3.23 (2,-4,2,3) 64.0907 3.23 (2,-4,2,-3) 64.0910 6.46 (4,-2,-2,3) 64.1616 2.11 (1,3,-4,-2) 64.1617 2.11 (1,3,-4,2) 64.1618 2.11 (3,1,-4,-2) 64.1619 2.11 (3,1,-4,2) 64.1623 2.11 (1,-4,3,2) 64.1623 2.11 (1,-4,3,-2) 64.1626 2.11 (4,-1,-3,-2) 64.1626 2.11 (4,-1,-3,2) 64.1632 2.11 (3,-4,1,2) 64.1632 2.11 (3,-4,1,-2) 64.1634 2.11 (4,-3,-1,2) 64.1634 2.11 (4,-3,-1,-2) 64.7420 1.07 (1,2,-3,-6) 64.7421 1.07 (1,2,-3,6) 64.7421 1.07 (2,1,-3,-6) 64.7421 1.07 (2,1,-3,6) 64.7425 1.07 (1,-3,2,6) 64.7425 1.07 (1,-3,2,-6) 64.7427 1.07 (3,-1,-2,-6) 64.7427 1.07 (3,-1,-2,6) 64.7428 1.07 (2,-3,1,6) 64.7429 1.07 (2,-3,1,-6) 64.7430 1.07 (3,-2,-1,6) 64.7430 1.07 (3,-2,-1,-6) 66.6705 3.84 (1,3,-4,-3) 66.6706 3.84 (1,3,-4,3) 66.6707 3.84 (3,1,-4,-3) 66.6708 3.84 (3,1,-4,3) 66.6712 3.84 (1,-4,3,3) 66.6712 3.84 (1,-4,3,-3) 66.6715 3.84 (4,-1,-3,-3) 66.6715 3.84 (4,-1,-3,3) 66.6721 3.84 (3,-4,1,3) 66.6721 3.84 (3,-4,1,-3) 66.6722 3.84 (4,-3,-1,3) 66.6722 3.84 (4,-3,-1,-3) 67.5905 2.02 (2,2,-4,-4) 67.5906 2.02 (2,2,-4,4) 67.5916 2.02 (2,-4,2,4) 67.5916 2.02 (2,-4,2,-4) 67.5919 2.02 (4,-2,-2,4) 67.5919 2.02 (4,-2,-2,-4) 69.8306 1.58 (0,3,-3,-6) 69.8307 1.58 (0,3,-3,6) 69.8308 1.58 (3,0,-3,-6) 69.8308 1.58 (3,0,-3,6) 69.8316 1.58 (3,-3,0,6) 69.8316 1.58 (3,-3,0,-6) 70.1064 5.76 (1,3,-4,-4) 70.1064 5.76 (1,3,-4,4) 70.1065 5.76 (3,1,-4,-4) 70.1066 5.76 (3,1,-4,4) 70.1070 5.76 (1,-4,3,4) 70.1070 5.76 (1,-4,3,-4) 70.1073 5.76 (4,-1,-3,-4) 70.1073 5.76 (4,-1,-3,4) 70.1078 5.76 (3,-4,1,4) 70.1079 5.76 (3,-4,1,-4) 70.1080 5.76 (4,-3,-1,4) 70.1080 5.76 (4,-3,-1,-4) 70.9396 5.60 (0,2,-2,-8) 70.9397 5.60 (0,2,-2,8) 70.9397 5.60 (2,0,-2,-8) 70.9397 5.60 (2,0,-2,8) 70.9401 5.60 (2,-2,0,8) 70.9401 5.60 (2,-2,0,-8) 71.1451 2.10 (1,2,-3,-7) 71.1452 2.10 (1,2,-3,7) 71.1452 2.10 (2,1,-3,-7) 71.1452 2.10 (2,1,-3,7) 71.1455 2.10 (1,-3,2,7) 71.1456 2.10 (1,-3,2,-7) 71.1457 4.19 (3,-1,-2,7) 71.1459 2.10 (2,-3,1,7) 71.1459 2.10 (2,-3,1,-7) 71.1460 2.10 (3,-2,-1,7) 71.1460 2.10 (3,-2,-1,-7) 71.7607 1.76 (0,4,-4,-2) 71.7607 1.76 (0,4,-4,2) 71.7610 1.76 (4,0,-4,-2) 71.7610 1.76 (4,0,-4,2) 71.7624 1.76 (4,-4,0,2) 71.7624 1.76 (4,-4,0,-2) 71.9676 1.48 (2,2,-4,-5) 71.9677 1.48 (2,2,-4,5) 71.9687 1.48 (2,-4,2,5) 71.9687 1.48 (2,-4,2,-5) 71.9690 2.97 (4,-2,-2,5) 74.4186 1.64 (1,3,-4,-5) 74.4187 1.64 (1,3,-4,5) 74.4188 1.64 (3,1,-4,-5) 74.4189 1.64 (3,1,-4,5) 74.4192 1.64 (1,-4,3,5) 74.4193 1.64 (1,-4,3,-5) 74.4196 1.64 (4,-1,-3,-5) 74.4196 1.64 (4,-1,-3,5) 74.4201 1.64 (3,-4,1,5) 74.4201 1.64 (3,-4,1,-5) 74.4203 1.64 (4,-3,-1,5) 74.4203 1.64 (4,-3,-1,-5) 77.1732 4.65 (2,3,-5,0) 77.1733 4.65 (3,2,-5,0) 77.1746 4.65 (2,-5,3,0) 77.1750 4.65 (5,-2,-3,0) 77.1751 4.65 (3,-5,2,0) 77.1754 4.65 (5,-3,-2,0) 77.4419 2.55 (0,4,-4,-4) 77.4420 2.55 (0,4,-4,4) 77.4423 2.55 (4,0,-4,-4) 77.4423 2.55 (4,0,-4,4) 77.4436 2.55 (4,-4,0,4) 77.4437 2.55 (4,-4,0,-4) 80.6346 1.07 (0,1,-1,-10) 80.6346 1.07 (1,0,-1,-10) 80.6346 1.07 (0,1,-1,10) 80.6346 1.07 (1,0,-1,10) 80.6347 1.07 (1,-1,0,10) 80.6347 1.07 (1,-1,0,-10) 83.0024 7.41 (0,3,-3,-8) 83.0025 7.41 (0,3,-3,8) 83.0026 7.41 (3,0,-3,-8) 83.0027 7.41 (3,0,-3,8) 83.0034 7.41 (3,-3,0,8) 83.0034 7.41 (3,-3,0,-8) 84.5721 1.13 (2,3,-5,-4) 84.5721 1.13 (2,3,-5,4) 84.5722 1.13 (3,2,-5,-4) 84.5722 1.13 (3,2,-5,4) 84.5734 1.13 (2,-5,3,4) 84.5735 1.13 (2,-5,3,-4) 84.5739 2.26 (5,-2,-3,4) 84.5739 1.13 (3,-5,2,4) 84.5740 1.13 (3,-5,2,-4) 84.5743 1.13 (5,-3,-2,4) 84.5743 1.13 (5,-3,-2,-4) 85.5557 2.58 (1,3,-4,-7) 85.5558 2.58 (1,3,-4,7) 85.5559 2.58 (3,1,-4,-7) 85.5560 2.58 (3,1,-4,7) 85.5563 2.58 (1,-4,3,7) 85.5564 2.58 (1,-4,3,-7) 85.5567 2.58 (4,-1,-3,-7) 85.5567 2.58 (4,-1,-3,7) 85.5571 2.58 (3,-4,1,7) 85.5572 2.58 (3,-4,1,-7) 85.5573 2.58 (4,-3,-1,7) 85.5573 2.58 (4,-3,-1,-7) 86.0809 1.05 (2,1,-3,-9) 89.2725 1.72 (1,4,-5,-4) 89.2726 1.72 (1,4,-5,4) 89.2728 1.72 (4,1,-5,-4) 89.2729 1.72 (4,1,-5,4) 89.2733 1.72 (1,-5,4,4) 89.2733 1.72 (1,-5,4,-4) 89.2738 1.72 (5,-1,-4,-4) 89.2738 1.72 (5,-1,-4,4) 89.2748 1.72 (4,-5,1,4) 89.2748 1.72 (4,-5,1,-4) 89.2750 1.72 (5,-4,-1,4) 89.2750 1.72 (5,-4,-1,-4)