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{
"id": "mp-1215582",
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{
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{
"id": "mp-1216501",
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"structure_string": "V12 Ga14\n1.0\n0.000000 6.435112 6.481672\n4.569722 0.000000 6.481672\n4.569722 6.435112 0.000000\nV Ga\n12 14\ndirect\n0.652461 0.998752 0.347539 V\n0.001248 0.347539 0.998752 V\n0.337058 0.662942 0.994363 V\n0.005637 0.994363 0.662942 V\n0.349964 0.650036 0.650036 V\n0.357293 0.003368 0.995387 V\n0.004613 0.356048 0.642707 V\n0.643952 0.995387 0.003368 V\n0.996632 0.642707 0.356048 V\n0.642563 0.357437 0.357437 V\n0.212429 0.001614 0.787571 V\n0.998386 0.787571 0.001614 V\n0.345605 0.274675 0.654395 Ga\n0.342771 0.000355 0.377974 Ga\n0.622026 0.721099 0.657229 Ga\n0.725325 0.654395 0.274675 Ga\n0.278901 0.377974 0.000355 Ga\n0.999645 0.657229 0.721099 Ga\n0.656490 0.343510 0.715878 Ga\n0.652153 0.627008 0.000834 Ga\n0.372992 0.347847 0.279995 Ga\n0.284122 0.715878 0.343510 Ga\n0.720005 0.000834 0.627008 Ga\n0.999166 0.279995 0.347847 Ga\n0.796794 0.203206 0.998232 Ga\n0.001768 0.998232 0.203206 Ga\n",
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{
"id": "mp-1214403",
"created_at": "2022-09-04T14:41:53.010987Z",
"structure_string": "Ba8 Pt2\n1.0\n0.000000 6.785754 6.785754\n6.785754 0.000000 6.785754\n6.785754 6.785754 0.000000\nBa Pt\n8 2\ndirect\n0.376418 0.376418 0.376418 Ba\n0.376418 0.376418 0.870747 Ba\n0.376418 0.870747 0.376418 Ba\n0.873582 0.873582 0.379253 Ba\n0.873582 0.873582 0.873582 Ba\n0.870747 0.376418 0.376418 Ba\n0.873582 0.379253 0.873582 Ba\n0.379253 0.873582 0.873582 Ba\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "mp-978992",
"created_at": "2022-09-04T14:42:09.784897Z",
"structure_string": "Sn2 H8\n1.0\n4.050112 0.000000 0.000000\n0.000000 4.644180 0.000000\n0.000000 0.274646 6.206968\nSn H\n2 8\ndirect\n0.250000 0.239571 0.572248 Sn\n0.750000 0.760429 0.427752 Sn\n0.250000 0.370482 0.009666 H\n0.250000 0.363292 0.130924 H\n0.750000 0.134715 0.932547 H\n0.750000 0.124158 0.054620 H\n0.250000 0.875842 0.945380 H\n0.250000 0.865285 0.067453 H\n0.750000 0.636708 0.869076 H\n0.750000 0.629518 0.990334 H\n",
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"volume": 116.7496489602564,
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"spacegroup": 11
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{
"id": "mp-28572",
"created_at": "2022-09-04T14:42:10.481117Z",
"structure_string": "La2 Br4\n1.0\n2.074357 -3.592891 0.000000\n2.074357 3.592891 0.000000\n0.000000 0.000000 15.293431\nLa Br\n2 4\ndirect\n0.000000 0.000000 0.750000 La\n0.000000 0.000000 0.250000 La\n0.333333 0.666667 0.124920 Br\n0.666667 0.333333 0.624920 Br\n0.333333 0.666667 0.375080 Br\n0.666667 0.333333 0.875080 Br\n",
"nsites": 6,
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{
"id": "mp-1075385",
"created_at": "2022-09-04T14:42:09.785914Z",
"structure_string": "Mg10 Si12\n1.0\n5.175296 0.000000 0.000000\n-1.011215 5.722229 0.000000\n-0.514639 -2.713328 13.471616\nMg Si\n10 12\ndirect\n0.294854 0.922679 0.165311 Mg\n0.404383 0.578033 0.506510 Mg\n0.758166 0.965200 0.634597 Mg\n0.077454 0.207779 0.354227 Mg\n0.811920 0.014942 0.057354 Mg\n0.872908 0.891749 0.833509 Mg\n0.883490 0.426290 0.579600 Mg\n0.929514 0.726705 0.411814 Mg\n0.466943 0.423774 0.092004 Mg\n0.973124 0.502563 0.970786 Mg\n0.486195 0.621614 0.918090 Si\n0.302625 0.981473 0.969561 Si\n0.539059 0.037693 0.426578 Si\n0.281536 0.127743 0.566683 Si\n0.409973 0.157363 0.824240 Si\n0.988227 0.463882 0.185366 Si\n0.609385 0.293258 0.293054 Si\n0.234126 0.831683 0.682030 Si\n0.477642 0.502649 0.719633 Si\n0.394958 0.637785 0.308552 Si\n0.787379 0.819631 0.222594 Si\n0.019541 0.361782 0.774397 Si\n",
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{
"id": "mp-1187534",
"created_at": "2022-09-04T14:41:29.863235Z",
"structure_string": "Te2 Pb6\n1.0\n3.533654 -6.120467 0.000000\n3.533654 6.120467 0.000000\n0.000000 0.000000 5.963237\nTe Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n0.167412 0.334824 0.250000 Pb\n0.665176 0.832588 0.250000 Pb\n0.167412 0.832588 0.250000 Pb\n0.832588 0.665176 0.750000 Pb\n0.334824 0.167412 0.750000 Pb\n0.832588 0.167412 0.750000 Pb\n",
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{
"id": "mp-568607",
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"structure_string": "Al10 Mo2\n1.0\n2.459266 -4.259575 0.000000\n2.459266 4.259575 0.000000\n0.000000 0.000000 8.875698\nAl Mo\n10 2\ndirect\n0.661560 0.000000 0.000000 Al\n0.000000 0.661560 0.000000 Al\n0.661560 0.661560 0.500000 Al\n0.000000 0.000000 0.750000 Al\n0.338440 0.000000 0.500000 Al\n0.666667 0.333333 0.250000 Al\n0.338440 0.338440 0.000000 Al\n0.000000 0.000000 0.250000 Al\n0.333333 0.666667 0.750000 Al\n0.000000 0.338440 0.500000 Al\n0.333333 0.666667 0.250000 Mo\n0.666667 0.333333 0.750000 Mo\n",
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{
"id": "mp-23267",
"created_at": "2022-09-04T14:42:10.162917Z",
"structure_string": "Be2 Cl4\n1.0\n-2.623531 2.868956 5.315988\n2.623531 -2.868956 5.315988\n2.623531 2.868956 -5.315988\nBe Cl\n2 4\ndirect\n0.000000 0.750000 0.750000 Be\n0.000000 0.250000 0.250000 Be\n0.295422 0.603482 0.691940 Cl\n0.704578 0.396518 0.308060 Cl\n0.911542 0.103482 0.808060 Cl\n0.088458 0.896518 0.191940 Cl\n",
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{
"id": "mp-684726",
"created_at": "2022-09-04T14:42:10.169802Z",
"structure_string": "La39 Se56\n1.0\n7.428433 -0.002008 -2.639644\n-3.708458 6.448853 -2.618465\n-0.115326 -0.018318 55.106058\nLa Se\n39 56\ndirect\n0.130221 0.752096 0.982859 La\n0.122410 0.747818 0.838803 La\n0.248981 0.623558 0.910134 La\n0.375640 0.251184 0.946487 La\n0.249454 0.625328 0.767918 La\n0.126667 0.750820 0.696842 La\n0.623984 0.374147 0.892173 La\n0.374304 0.249765 0.803493 La\n0.747382 0.870274 0.874012 La\n0.121964 0.749516 0.552641 La\n0.876891 0.126196 0.964458 La\n0.252378 0.630130 0.626079 La\n0.750754 0.875961 0.732593 La\n0.375704 0.250701 0.661155 La\n0.624653 0.374812 0.750186 La\n0.874067 0.124959 0.821098 La\n0.237387 0.614487 0.477999 La\n0.367729 0.248558 0.516046 La\n0.751970 0.877375 0.589592 La\n0.628568 0.377029 0.607580 La\n0.879727 0.128855 0.679124 La\n0.235329 0.619954 0.338190 La\n0.737224 0.855104 0.441553 La\n0.360531 0.242807 0.372130 La\n0.607679 0.348822 0.460983 La\n0.875868 0.124034 0.535312 La\n0.243804 0.633769 0.197824 La\n0.746623 0.869040 0.301333 La\n0.378166 0.250138 0.232802 La\n0.623397 0.362825 0.321180 La\n0.879107 0.126813 0.391844 La\n0.251658 0.640698 0.057714 La\n0.752479 0.880584 0.161209 La\n0.391508 0.257743 0.093128 La\n0.626950 0.369173 0.180277 La\n0.885998 0.136269 0.251271 La\n0.754539 0.884186 0.019069 La\n0.639027 0.386236 0.038752 La\n0.892995 0.140010 0.110606 La\n0.999350 0.850364 0.928471 Se\n0.998888 0.350134 0.928432 Se\n0.498647 0.000817 0.977740 Se\n0.000116 0.848867 0.785795 Se\n0.150626 0.151022 0.878847 Se\n0.000282 0.348835 0.785752 Se\n0.349043 0.500699 0.857350 Se\n0.647472 0.647845 0.949344 Se\n0.999056 0.848848 0.642896 Se\n0.999764 0.348371 0.642781 Se\n0.150392 0.150354 0.735822 Se\n0.500713 0.000420 0.906999 Se\n0.348766 0.500151 0.714199 Se\n0.651403 0.651165 0.807427 Se\n0.500270 0.000371 0.835701 Se\n0.004317 0.857769 0.501155 Se\n0.849013 0.499909 0.857264 Se\n0.499193 0.999237 0.764090 Se\n0.153653 0.153360 0.593564 Se\n0.003814 0.359169 0.501254 Se\n0.354250 0.501443 0.571882 Se\n0.650823 0.650636 0.664293 Se\n0.499189 0.999847 0.692617 Se\n0.996197 0.854715 0.356010 Se\n0.848300 0.499089 0.714179 Se\n0.500223 0.000122 0.621545 Se\n0.158462 0.164824 0.452837 Se\n0.001324 0.343838 0.357383 Se\n0.358899 0.498228 0.429664 Se\n0.503869 0.004015 0.551463 Se\n0.656739 0.658692 0.522942 Se\n0.993676 0.851754 0.212439 Se\n0.854677 0.501703 0.571989 Se\n0.512922 0.009152 0.481723 Se\n0.155522 0.157991 0.308107 Se\n0.999604 0.341558 0.213640 Se\n0.359767 0.494263 0.286505 Se\n0.503868 0.002211 0.407219 Se\n0.636481 0.647618 0.377718 Se\n0.993190 0.851807 0.069535 Se\n0.846390 0.502148 0.429751 Se\n0.148891 0.152131 0.164302 Se\n0.508313 0.004147 0.338080 Se\n0.994465 0.335556 0.069483 Se\n0.357080 0.492677 0.143074 Se\n0.502890 0.001434 0.263634 Se\n0.632774 0.643236 0.233970 Se\n0.842609 0.498448 0.285858 Se\n0.509181 0.004216 0.194509 Se\n0.144286 0.141115 0.019252 Se\n0.351960 0.497095 0.999439 Se\n0.500726 0.998460 0.119690 Se\n0.632602 0.639037 0.090767 Se\n0.841532 0.495531 0.142135 Se\n0.495030 0.995778 0.048417 Se\n0.849799 0.496003 0.999044 Se\n",
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"elements": [
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"density_atomic": 0.03602662103176712,
"volume": 2636.9389434616155,
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"formula_full": "La39 Se56",
"formula_reduced": "La39Se56",
"formula_anonymous": "A39B56",
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"energy_uncorrected": -579.33486929,
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"updated_at": "2021-11-28T01:35:35.251000Z",
"spacegroup": 1
},
{
"id": "mp-867262",
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"elements": [
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"volume": 62.13369349858675,
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"formula_full": "Sc1 Tc3",
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"updated_at": "2021-11-28T01:35:39.941000Z",
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}
]
}