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{
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{
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"structure_string": "Na1 Nd1 Eu1 W1 O6\n1.0\n-0.000000 -4.063613 -4.063613\n4.063613 0.000000 -4.063613\n4.063613 -4.063613 0.000000\nNa Nd Eu W O\n1 1 1 1 6\ndirect\n-0.000000 -0.000000 0.000000 Na\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 W\n0.737810 0.262190 0.262190 O\n0.262190 0.737810 0.737810 O\n0.737810 0.262190 0.737810 O\n0.262190 0.737810 0.262190 O\n0.737810 0.737810 0.262190 O\n0.262190 0.262190 0.737810 O\n",
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{
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"structure_string": "Li4 Mn12 P12 O48\n1.0\n8.602204 0.000000 0.000000\n-2.099441 8.793255 0.000000\n-2.272498 -3.858493 11.773776\nLi Mn P O\n4 12 12 48\ndirect\n0.492457 0.262018 0.761038 Li\n0.501144 0.000446 0.502358 Li\n0.508617 0.739169 0.238985 Li\n0.986885 0.128350 0.117433 Li\n0.613002 0.890969 0.957437 Mn\n0.264766 0.495252 0.761638 Mn\n0.932411 0.482067 0.866693 Mn\n0.067231 0.018342 0.633473 Mn\n0.383997 0.607269 0.541363 Mn\n0.735587 0.002869 0.742451 Mn\n0.272930 0.990746 0.259159 Mn\n0.614594 0.394523 0.459752 Mn\n0.935483 0.985837 0.370102 Mn\n0.065357 0.520205 0.130576 Mn\n0.733400 0.506830 0.240144 Mn\n0.382874 0.103457 0.038088 Mn\n0.130751 0.235702 0.888255 P\n0.348348 0.881236 0.747742 P\n0.708244 0.267073 0.979914 P\n0.650620 0.615430 0.749269 P\n0.133925 0.739937 0.391722 P\n0.289065 0.230546 0.519535 P\n0.711187 0.769795 0.480510 P\n0.865659 0.260368 0.608934 P\n0.344719 0.379852 0.249734 P\n0.291486 0.732753 0.019965 P\n0.653356 0.119422 0.249951 P\n0.870537 0.769031 0.113517 P\n0.046895 0.361708 0.949204 O\n0.408067 0.926542 0.881836 O\n0.169944 0.633809 0.902749 O\n0.181259 0.152940 0.977203 O\n0.177516 0.907359 0.718387 O\n0.531528 0.259879 0.992989 O\n0.272314 0.314985 0.845693 O\n0.476883 0.986151 0.706709 O\n0.997227 0.383222 0.714877 O\n0.669122 0.796128 0.800294 O\n0.330018 0.700608 0.699913 O\n0.521654 0.507309 0.786762 O\n0.725084 0.344752 0.884128 O\n0.043640 0.859351 0.451444 O\n0.741344 0.100657 0.939498 O\n0.822740 0.592221 0.780683 O\n0.187263 0.650157 0.473689 O\n0.267854 0.398184 0.566864 O\n0.832777 0.865190 0.598235 O\n0.593416 0.574585 0.615107 O\n0.275569 0.146584 0.612918 O\n0.534445 0.769999 0.495310 O\n0.282813 0.836270 0.361987 O\n0.011607 0.896499 0.212718 O\n0.993398 0.109486 0.786622 O\n0.718419 0.163468 0.639697 O\n0.465131 0.229451 0.502398 O\n0.727230 0.852636 0.386324 O\n0.400985 0.425344 0.383729 O\n0.166694 0.134304 0.401529 O\n0.730835 0.600793 0.432494 O\n0.811479 0.348016 0.525571 O\n0.165808 0.390693 0.209710 O\n0.264395 0.900886 0.064370 O\n0.957233 0.141286 0.549848 O\n0.273682 0.657081 0.117584 O\n0.471551 0.489131 0.211744 O\n0.668565 0.299025 0.298607 O\n0.325391 0.198268 0.201145 O\n0.003464 0.617880 0.284917 O\n0.530853 0.012770 0.293822 O\n0.730425 0.687103 0.156021 O\n0.468785 0.738922 0.008169 O\n0.827204 0.094982 0.275552 O\n0.819291 0.867631 0.035177 O\n0.832818 0.363537 0.098094 O\n0.591256 0.072663 0.116321 O\n0.950027 0.642792 0.048887 O\n",
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{
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{
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{
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{
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"structure_string": "Li2 Mn20 P14 O56\n1.0\n12.065247 -5.124352 0.000000\n12.065247 5.124352 0.000000\n9.888832 0.000000 8.604660\nLi Mn P O\n2 20 14 56\ndirect\n0.815884 0.815884 0.815884 Li\n0.315884 0.315884 0.315884 Li\n0.934078 0.341955 0.925985 Mn\n0.934353 0.555347 0.526971 Mn\n0.555347 0.526971 0.934353 Mn\n0.997452 0.997452 0.997452 Mn\n0.925985 0.934078 0.341955 Mn\n0.526971 0.934353 0.555347 Mn\n0.590665 0.147836 0.553800 Mn\n0.341955 0.925985 0.934078 Mn\n0.841955 0.434078 0.425985 Mn\n0.434078 0.425985 0.841955 Mn\n0.497452 0.497452 0.497452 Mn\n0.553800 0.590665 0.147836 Mn\n0.147836 0.553800 0.590665 Mn\n0.425985 0.841955 0.434078 Mn\n0.647836 0.090665 0.053800 Mn\n0.434353 0.026971 0.055347 Mn\n0.090665 0.053800 0.647836 Mn\n0.026971 0.055347 0.434353 Mn\n0.055347 0.434353 0.026971 Mn\n0.053800 0.647836 0.090665 Mn\n0.731562 0.731562 0.731562 P\n0.729986 0.169640 0.688543 P\n0.815463 0.315011 0.769359 P\n0.815011 0.315463 0.269359 P\n0.669640 0.229986 0.188543 P\n0.315463 0.269359 0.815011 P\n0.229986 0.188543 0.669640 P\n0.688543 0.729986 0.169640 P\n0.769359 0.815463 0.315011 P\n0.315011 0.769359 0.815463 P\n0.188543 0.669640 0.229986 P\n0.169640 0.688543 0.729986 P\n0.269359 0.815011 0.315463 P\n0.231562 0.231562 0.231562 P\n0.835829 0.379500 0.815330 O\n0.891191 0.603113 0.743134 O\n0.686739 0.686739 0.686739 O\n0.815330 0.835829 0.379500 O\n0.603113 0.743134 0.891191 O\n0.743134 0.891191 0.603113 O\n0.900753 0.155743 0.596353 O\n0.880685 0.134143 0.850000 O\n0.881501 0.139808 0.322429 O\n0.850436 0.131223 0.128524 O\n0.733592 0.083770 0.643916 O\n0.379500 0.815330 0.835829 O\n0.909744 0.365689 0.590546 O\n0.665514 0.099778 0.866619 O\n0.879500 0.335829 0.315330 O\n0.599778 0.165514 0.366619 O\n0.865689 0.409744 0.090546 O\n0.409744 0.090546 0.865689 O\n0.400753 0.096353 0.655743 O\n0.631223 0.350436 0.628524 O\n0.639808 0.381501 0.822429 O\n0.634143 0.380685 0.350000 O\n0.655743 0.400753 0.096353 O\n0.866619 0.665514 0.099778 O\n0.822429 0.639808 0.381501 O\n0.335829 0.315330 0.879500 O\n0.380685 0.350000 0.634143 O\n0.131223 0.128524 0.850436 O\n0.628524 0.631223 0.350436 O\n0.850000 0.880685 0.134143 O\n0.643916 0.733592 0.083770 O\n0.139808 0.322429 0.881501 O\n0.165514 0.366619 0.599778 O\n0.365689 0.590546 0.909744 O\n0.366619 0.599778 0.165514 O\n0.350000 0.634143 0.380685 O\n0.350436 0.628524 0.631223 O\n0.596353 0.900753 0.155743 O\n0.590546 0.909744 0.365689 O\n0.155743 0.596353 0.900753 O\n0.381501 0.822429 0.639808 O\n0.083770 0.643916 0.733592 O\n0.322429 0.881501 0.139808 O\n0.096353 0.655743 0.400753 O\n0.315330 0.879500 0.335829 O\n0.583770 0.233592 0.143916 O\n0.128524 0.850436 0.131223 O\n0.134143 0.850000 0.880685 O\n0.099778 0.866619 0.665514 O\n0.090546 0.865689 0.409744 O\n0.391191 0.243134 0.103113 O\n0.243134 0.103113 0.391191 O\n0.233592 0.143916 0.583770 O\n0.186739 0.186739 0.186739 O\n0.103113 0.391191 0.243134 O\n0.143916 0.583770 0.233592 O\n",
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"elements": [
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"P",
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],
"chemical_system": "Li-Mn-O-P",
"density": 3.811526166163733,
"density_atomic": 0.08646671214567357,
"volume": 1063.9932722896217,
"volume_molar": 6.964692666762076,
"formula_full": "Li2 Mn20 P14 O56",
"formula_reduced": "LiMn10(PO4)7",
"formula_anonymous": "AB7C10D28",
"energy": -768.7944913499999,
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"updated_at": "2021-11-28T01:35:49.410000Z",
"spacegroup": 161
},
{
"id": "mp-1080077",
"created_at": "2022-09-04T14:42:26.474360Z",
"structure_string": "U3 Ga3 Pt3\n1.0\n3.514408 -6.087133 0.000000\n3.514408 6.087133 0.000000\n0.000000 0.000000 4.123764\nU Ga Pt\n3 3 3\ndirect\n0.421483 0.000000 0.500000 U\n0.000000 0.421483 0.500000 U\n0.578517 0.578517 0.500000 U\n0.756914 0.000000 0.000000 Ga\n0.000000 0.756914 0.000000 Ga\n0.243086 0.243086 0.000000 Ga\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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"elements": [
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],
"chemical_system": "Ga-Pt-U",
"density": 14.197368964131599,
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"volume": 176.4366358486269,
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"formula_full": "U3 Ga3 Pt3",
"formula_reduced": "UGaPt",
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"updated_at": "2021-11-28T01:35:48.708000Z",
"spacegroup": 189
},
{
"id": "mp-1100661",
"created_at": "2022-09-04T14:42:23.936149Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.437540 2.589977 0.000000\n-1.437540 2.589977 0.000000\n0.000000 1.138298 38.908128\nLi Mn Co O\n9 2 5 16\ndirect\n0.698995 0.698995 0.932706 Li\n0.053808 0.053808 0.813431 Li\n0.439782 0.439782 0.687444 Li\n0.804654 0.804654 0.564704 Li\n0.192031 0.192031 0.435216 Li\n0.563713 0.563713 0.312071 Li\n0.936076 0.936076 0.188030 Li\n0.309071 0.309071 0.065487 Li\n0.374352 0.374352 0.875437 Li\n0.002793 0.002793 0.000899 Mn\n0.498117 0.498117 0.499844 Mn\n0.750648 0.750648 0.749302 Co\n0.123750 0.123750 0.625421 Co\n0.876771 0.876771 0.374318 Co\n0.250463 0.250463 0.249917 Co\n0.623544 0.623544 0.125769 Co\n0.361158 0.361158 0.973864 O\n0.716360 0.716360 0.842716 O\n0.100103 0.100103 0.720626 O\n0.466821 0.466821 0.595953 O\n0.866883 0.866883 0.470940 O\n0.218850 0.218850 0.345723 O\n0.593630 0.593630 0.221070 O\n0.968429 0.968429 0.096111 O\n0.033883 0.033883 0.907598 O\n0.400910 0.400910 0.776590 O\n0.782561 0.782561 0.653925 O\n0.129368 0.129368 0.528574 O\n0.533056 0.533056 0.403720 O\n0.907228 0.907228 0.278754 O\n0.281216 0.281216 0.154261 O\n0.640975 0.640975 0.029580 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 8
},
{
"id": "mp-1175039",
"created_at": "2022-09-04T14:42:23.939340Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.964845 0.000000 0.000000\n-1.122842 7.725043 0.000000\n-0.207933 -3.654909 9.474647\nLi Mn Co O\n7 2 3 12\ndirect\n0.176118 0.336701 0.922000 Li\n0.827970 0.662416 0.579019 Li\n0.511257 0.010826 0.248490 Li\n0.819053 0.665944 0.091416 Li\n0.498777 0.000458 0.750840 Li\n0.170050 0.331592 0.406018 Li\n0.650356 0.327746 0.172741 Li\n0.007544 0.012006 0.008549 Mn\n0.002883 0.995808 0.498085 Mn\n0.672095 0.332453 0.663063 Co\n0.314369 0.652026 0.325174 Co\n0.338872 0.665934 0.830972 Co\n0.561955 0.147593 0.963211 O\n0.239561 0.494190 0.632390 O\n0.942338 0.829222 0.301928 O\n0.260209 0.522553 0.143900 O\n0.927979 0.828815 0.803534 O\n0.628713 0.169129 0.467116 O\n0.740530 0.504370 0.867582 O\n0.381993 0.823940 0.525602 O\n0.073614 0.154357 0.195338 O\n0.445002 0.852564 0.033297 O\n0.093199 0.164687 0.698132 O\n0.715564 0.514670 0.371605 O\n",
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],
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "mp-1183977",
"created_at": "2022-09-04T14:42:28.502171Z",
"structure_string": "Cs1 Ti1 O3\n1.0\n4.106981 0.000000 0.000000\n0.000000 4.106981 0.000000\n0.000000 0.000000 4.106981\nCs Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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],
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"formula_full": "Cs1 Ti1 O3",
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"updated_at": "2021-11-28T01:35:49.523000Z",
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}
]
}