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{
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{
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{
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{
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{
"id": "mp-761013",
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"structure_string": "Li8 Mn1 Ni7 O16\n1.0\n6.518544 0.000000 0.000000\n1.981359 6.310895 0.000000\n1.911713 2.820947 6.801180\nLi Mn Ni O\n8 1 7 16\ndirect\n0.932918 0.559281 0.810311 Li\n0.556975 0.938084 0.687915 Li\n0.187447 0.314996 0.566173 Li\n0.812553 0.685004 0.433827 Li\n0.443025 0.061916 0.312085 Li\n0.067082 0.440719 0.189689 Li\n0.694632 0.807264 0.062652 Li\n0.305368 0.192736 0.937348 Li\n0.000000 0.000000 0.500000 Mn\n0.750805 0.251508 0.750352 Ni\n0.249195 0.748492 0.249648 Ni\n0.621630 0.378618 0.373742 Ni\n0.378370 0.621382 0.626258 Ni\n0.876201 0.124852 0.125675 Ni\n0.500000 0.500000 0.000000 Ni\n0.123799 0.875148 0.874325 Ni\n0.864384 0.910851 0.773096 O\n0.480042 0.290608 0.635631 O\n0.905737 0.322471 0.466003 O\n0.638561 0.586806 0.733083 O\n0.258287 0.965378 0.601601 O\n0.741713 0.034622 0.398399 O\n0.361439 0.413194 0.266917 O\n0.749933 0.471239 0.103724 O\n0.094263 0.677529 0.533997 O\n0.519958 0.709392 0.364369 O\n0.135616 0.089149 0.226904 O\n0.601829 0.181466 0.034889 O\n0.250067 0.528761 0.896276 O\n0.978386 0.788736 0.135792 O\n0.398171 0.818534 0.965111 O\n0.021614 0.211264 0.864208 O\n",
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{
"id": "mp-558194",
"created_at": "2022-09-04T14:40:39.504903Z",
"structure_string": "Na2 La2 Mg2 W2 O12\n1.0\n3.984551 3.941978 0.000000\n-3.984551 3.941978 0.000000\n0.000000 0.009100 7.958428\nNa La Mg W O\n2 2 2 2 12\ndirect\n0.246933 0.753067 0.500000 Na\n0.753067 0.246933 0.500000 Na\n0.753801 0.246199 0.000000 La\n0.246199 0.753801 0.000000 La\n0.251894 0.251894 0.743830 Mg\n0.748106 0.748106 0.256170 Mg\n0.751596 0.751596 0.738108 W\n0.248404 0.248404 0.261892 W\n0.697705 0.697705 0.510266 O\n0.490730 0.490730 0.187997 O\n0.990826 0.506405 0.771127 O\n0.991173 0.991173 0.706500 O\n0.193172 0.193172 0.005797 O\n0.008827 0.008827 0.293500 O\n0.806828 0.806828 0.994203 O\n0.506405 0.990826 0.771127 O\n0.302295 0.302295 0.489734 O\n0.009174 0.493595 0.228873 O\n0.493595 0.009174 0.228873 O\n0.509270 0.509270 0.812003 O\n",
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},
{
"id": "mp-1348355",
"created_at": "2022-09-04T14:40:39.517060Z",
"structure_string": "Ca2 Cu2 P4 O14\n1.0\n-6.482125 0.000000 0.000000\n0.852232 6.518826 0.000000\n-0.310141 -2.676779 -6.147179\nCa Cu P O\n2 2 4 14\ndirect\n0.142813 0.270906 0.825896 Ca\n0.857187 0.729094 0.174104 Ca\n0.352050 0.100547 0.224802 Cu\n0.647950 0.899453 0.775198 Cu\n0.856719 0.228698 0.248376 P\n0.143281 0.771302 0.751624 P\n0.373254 0.642553 0.332400 P\n0.626746 0.357447 0.667600 P\n0.222209 0.609998 0.520245 O\n0.777791 0.390002 0.479755 O\n0.026467 0.100550 0.279527 O\n0.973533 0.899450 0.720473 O\n0.410482 0.254166 0.562661 O\n0.589518 0.745834 0.437339 O\n0.625238 0.598588 0.838599 O\n0.374762 0.401412 0.161401 O\n0.067922 0.616069 0.862552 O\n0.932078 0.383931 0.137448 O\n0.330690 0.949968 0.866679 O\n0.669310 0.050032 0.133321 O\n0.727317 0.206151 0.746712 O\n0.272683 0.793849 0.253288 O\n",
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{
"id": "mp-770341",
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"structure_string": "Li8 Al2 Cr6 O16\n1.0\n5.848750 -0.000006 -0.000007\n-2.924378 -1.691945 4.860206\n0.000012 -10.162195 -0.003719\nLi Al Cr O\n8 2 6 16\ndirect\n0.499816 0.999953 0.000011 Li\n0.999863 0.000050 0.499990 Li\n0.499846 0.000012 0.499990 Li\n0.999835 0.999991 0.000008 Li\n0.249978 0.999615 0.250176 Li\n0.749980 0.999637 0.750176 Li\n0.750361 0.000386 0.249824 Li\n0.250344 0.000367 0.749824 Li\n0.251184 0.499998 0.750001 Al\n0.751228 0.499999 0.250002 Al\n0.998716 0.500352 0.500894 Cr\n0.251373 0.499992 0.249997 Cr\n0.998343 0.499639 0.999114 Cr\n0.498578 0.500258 0.000989 Cr\n0.751662 0.499985 0.749994 Cr\n0.498303 0.499745 0.499003 Cr\n0.862379 0.728457 0.878388 O\n0.362368 0.728404 0.378437 O\n0.133968 0.271595 0.121565 O\n0.633918 0.271546 0.621615 O\n0.382936 0.280805 0.867640 O\n0.883005 0.280862 0.367658 O\n0.638876 0.278692 0.126224 O\n0.138883 0.278752 0.626230 O\n0.898907 0.278060 0.866953 O\n0.398999 0.278096 0.366983 O\n0.102148 0.719142 0.132343 O\n0.602132 0.719197 0.632361 O\n0.360140 0.721249 0.873772 O\n0.860180 0.721312 0.373776 O\n0.620904 0.721901 0.133016 O\n0.120850 0.721947 0.633049 O\n",
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{
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"structure_string": "Sb3 Au1\n1.0\n3.063195 0.000000 0.000000\n0.000000 3.063195 0.000000\n0.000000 0.000000 11.815135\nSb Au\n3 1\ndirect\n0.000000 0.000000 0.231221 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.768779 Sb\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "mp-1217029",
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"structure_string": "Tl8 Cu24 Te16\n1.0\n8.571072 0.000000 0.000000\n0.000000 8.570503 0.000000\n0.000000 8.551840 14.445588\nTl Cu Te\n8 24 16\ndirect\n0.751626 0.247406 0.001241 Tl\n0.248374 0.247406 0.501241 Tl\n0.246270 0.748045 0.001267 Tl\n0.753730 0.748045 0.501267 Tl\n0.754141 0.998590 0.248723 Tl\n0.245859 0.998590 0.748723 Tl\n0.246402 0.504962 0.248661 Tl\n0.753598 0.504962 0.748661 Tl\n0.869403 0.442789 0.424472 Cu\n0.130597 0.442789 0.924472 Cu\n0.365209 0.208350 0.924016 Cu\n0.634791 0.208350 0.424016 Cu\n0.127343 0.563013 0.572903 Cu\n0.872657 0.563013 0.072903 Cu\n0.637821 0.792631 0.078367 Cu\n0.362179 0.792631 0.578367 Cu\n0.623584 0.658242 0.966928 Cu\n0.376416 0.658242 0.466928 Cu\n0.126639 0.908160 0.467160 Cu\n0.873361 0.908160 0.967160 Cu\n0.373072 0.341816 0.031973 Cu\n0.626928 0.341816 0.531973 Cu\n0.874844 0.087729 0.538284 Cu\n0.125156 0.087729 0.038284 Cu\n0.753145 0.503153 0.247851 Cu\n0.246855 0.503153 0.747851 Cu\n0.624576 0.170788 0.704908 Cu\n0.375424 0.170788 0.204908 Cu\n0.878616 0.065535 0.792787 Cu\n0.121384 0.065535 0.292787 Cu\n0.358837 0.828783 0.292297 Cu\n0.641163 0.828783 0.792297 Cu\n0.416734 0.032392 0.383701 Te\n0.583266 0.032392 0.883701 Te\n0.913973 0.703718 0.881869 Te\n0.086027 0.703718 0.381869 Te\n0.587058 0.963869 0.616688 Te\n0.412942 0.963869 0.116688 Te\n0.081571 0.294578 0.118103 Te\n0.918429 0.294578 0.618103 Te\n0.576384 0.436258 0.140474 Te\n0.423616 0.436258 0.640474 Te\n0.068073 0.791824 0.640809 Te\n0.931927 0.791824 0.140809 Te\n0.423171 0.566607 0.858622 Te\n0.576829 0.566607 0.358622 Te\n0.925539 0.216761 0.359895 Te\n0.074461 0.216761 0.859895 Te\n",
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"spacegroup": 7
},
{
"id": "mp-1670",
"created_at": "2022-09-04T14:40:39.665765Z",
"structure_string": "Mn1 Pt1\n1.0\n2.940143 0.000000 0.000000\n0.000000 2.940143 0.000000\n0.000000 0.000000 3.513114\nMn Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt",
"density": 13.670936001984614,
"density_atomic": 0.06585683350710446,
"volume": 30.368906209015428,
"volume_molar": 9.144291395896445,
"formula_full": "Mn1 Pt1",
"formula_reduced": "MnPt",
"formula_anonymous": "AB",
"energy": -15.92555181,
"energy_per_atom": -7.962775905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.92555181,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 4.3781351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.934000Z",
"spacegroup": 123
},
{
"id": "mp-1224835",
"created_at": "2022-09-04T14:40:39.973935Z",
"structure_string": "Fe2 Pb3 W1 O9\n1.0\n4.021153 -0.000025 4.021126\n0.000011 4.021295 4.021090\n-4.031917 -4.032132 4.031915\nFe Pb W O\n2 3 1 9\ndirect\n0.666670 0.666648 0.166655 Fe\n0.999984 0.000013 0.499993 Fe\n0.333185 0.333214 0.333401 Pb\n0.666657 0.666683 0.623338 Pb\n0.000073 0.000000 0.043329 Pb\n0.333377 0.333396 0.833351 W\n0.333340 0.833350 0.333341 O\n0.833317 0.833338 0.333328 O\n0.833384 0.333358 0.333316 O\n0.655784 0.172081 0.670057 O\n0.010898 0.494541 0.996621 O\n0.172135 0.172126 0.670037 O\n0.494554 0.494573 0.996577 O\n0.172133 0.655758 0.670049 O\n0.494511 0.010920 0.996609 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Pb",
"W",
"O"
],
"chemical_system": "Fe-O-Pb-W",
"density": 9.008786846277925,
"density_atomic": 0.07669059196799867,
"volume": 195.5911359539274,
"volume_molar": 7.8525156808189855,
"formula_full": "Fe2 Pb3 W1 O9",
"formula_reduced": "Fe2Pb3WO9",
"formula_anonymous": "AB2C3D9",
"energy": -111.78538757,
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"formation_energy": null,
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"energy_uncorrected": -96.65238757,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.146000Z",
"spacegroup": 164
}
]
}