jid stringlengths 7 12 | formula stringlengths 1 23 | atoms_json stringlengths 257 16.6k | xrd_intensities listlengths 8.5k 8.5k |
|---|---|---|---|
entry_11 | Li23Ni17O40 | {"lattice_mat": [[2.425591, 0.0032689999999999998, 4.349873], [3.024253, 18.773, 46.439931], [-0.099241, -0.015903999999999998, 14.507692]], "coords": [[0.500719, 0.024855, 0.24920599999999998], [0.502803, 0.125987, 0.24514899999999998], [0.499281, 0.075145, 0.750794], [0.490317, 0.225925, 0.25210099999999996], [0.0002... | [
0.0005134373204782605,
0.0003772054333239794,
0.0002743629738688469,
0.0001975741470232606,
0.00014086133160162717,
0.00009942842007149011,
0.00006948423833819106,
0.00004807498407899402,
0.000032931311579886824,
0.000022333459128276445,
0.000014995467608969193,
0.000009968299309548456,
0.00... |
entry_2 | Fe2NiO4 | "{\"lattice_mat\": [[3.012299, 5.181121, 0.0], [-3.012299, 5.181121, 0.0], [0.0, 3.599806, 19.597655(...TRUNCATED) | [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0(...TRUNCATED) |
entry_4 | Ba12MnRu5Cl4O24 | "{\"lattice_mat\": [[2.9586, -5.124446, 0.0], [2.9586, 5.124446, 0.0], [0.0, 0.0, 30.102537]], \"coo(...TRUNCATED) | [3.0960553073414623e-17,7.36743235646931e-17,1.7357239012968532e-16,4.0485752893922e-16,9.3493368547(...TRUNCATED) |
entry_9 | Rb2Nb2P2S11 | "{\"lattice_mat\": [[7.147721, 0.0, 0.0], [0.0, 7.13492, 0.0], [0.0, 2.821889, 18.67161]], \"coords\(...TRUNCATED) | [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0(...TRUNCATED) |
entry_8 | EuN3O14 | "{\"lattice_mat\": [[-6.452248, 0.0, 0.0], [2.097663, 9.438186, 0.0], [-0.438104, -4.571185, -9.3947(...TRUNCATED) | [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0(...TRUNCATED) |
entry_13 | Li5Mn7Fe3O20 | "{\"lattice_mat\": [[4.22866281, -4.26418353, 0.014356240000000001], [-4.22284054, 0.02026779, -4.17(...TRUNCATED) | [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0(...TRUNCATED) |
entry_3 | Ti3Fe9O16 | "{\"lattice_mat\": [[6.07306, 0.0, 0.0], [-2.9946159999999997, 10.110904, 0.0], [-0.010914, -1.64637(...TRUNCATED) | [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0(...TRUNCATED) |
entry_0 | TiP2S8Cl2 | "{\"lattice_mat\": [[13.041097, 0.0, 0.0], [0.0, 7.17838, 0.0], [0.0, 6.9789069999999995, 16.116959](...TRUNCATED) | [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0(...TRUNCATED) |
entry_6 | CeP3O14 | "{\"lattice_mat\": [[6.686992, 0.0, 0.0], [0.0, 12.926366999999999, 0.0], [0.0, 0.0, 13.531179]], \"(...TRUNCATED) | [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0(...TRUNCATED) |
entry_7 | Nd2C3O17 | "{\"lattice_mat\": [[8.432212, 0.0, 0.0], [0.0, 9.643111, 0.0], [0.0, 0.0, 17.670028]], \"coords\": (...TRUNCATED) | [0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0(...TRUNCATED) |
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