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{
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{
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{
"id": "mp-1193515",
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"structure_string": "Co21 Ge2 B6\n1.0\n0.000000 5.227132 5.227132\n5.227132 0.000000 5.227132\n5.227132 5.227132 0.000000\nCo Ge B\n21 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.619411 0.619411 0.141766 Co\n0.619411 0.141766 0.619411 Co\n0.141766 0.619411 0.619411 Co\n0.619411 0.619411 0.619411 Co\n0.380589 0.380589 0.858234 Co\n0.380589 0.858234 0.380589 Co\n0.858234 0.380589 0.380589 Co\n0.380589 0.380589 0.380589 Co\n0.000000 0.000000 0.335572 Co\n0.664428 0.000000 0.335572 Co\n0.000000 0.664428 0.335572 Co\n0.664428 0.335572 0.000000 Co\n0.000000 0.335572 0.000000 Co\n0.000000 0.335572 0.664428 Co\n0.335572 0.664428 0.000000 Co\n0.335572 0.000000 0.664428 Co\n0.335572 0.000000 0.000000 Co\n0.000000 0.000000 0.664428 Co\n0.000000 0.664428 0.000000 Co\n0.664428 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Ge\n0.250000 0.250000 0.250000 Ge\n0.723531 0.723531 0.276469 B\n0.276469 0.723531 0.276469 B\n0.723531 0.276469 0.276469 B\n0.276469 0.276469 0.723531 B\n0.723531 0.276469 0.723531 B\n0.276469 0.723531 0.723531 B\n",
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"formula_full": "Co21 Ge2 B6",
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"energy": -204.55853115,
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},
{
"id": "mp-849605",
"created_at": "2022-09-04T14:39:21.443066Z",
"structure_string": "Li8 Mn8 P16 O56\n1.0\n9.742829 0.000000 0.000000\n-0.254618 9.792094 0.000000\n-0.006904 -2.235663 10.896484\nLi Mn P O\n8 8 16 56\ndirect\n0.291940 0.115383 0.451787 Li\n0.896991 0.089176 0.021924 Li\n0.403310 0.417367 0.974231 Li\n0.031848 0.404987 0.506481 Li\n0.891168 0.652887 0.041323 Li\n0.109196 0.909670 0.979301 Li\n0.421848 0.830066 0.459114 Li\n0.716961 0.886980 0.549767 Li\n0.072170 0.197270 0.671128 Mn\n0.772464 0.276863 0.836218 Mn\n0.291431 0.236788 0.171157 Mn\n0.577333 0.299867 0.332655 Mn\n0.423926 0.700817 0.676330 Mn\n0.707209 0.760188 0.828066 Mn\n0.229519 0.720018 0.163316 Mn\n0.929773 0.803452 0.334976 Mn\n0.552731 0.020699 0.750275 P\n0.288939 0.119812 0.880719 P\n0.069492 0.060650 0.245030 P\n0.850852 0.128917 0.435210 P\n0.349838 0.379892 0.579163 P\n0.576863 0.429933 0.758518 P\n0.939670 0.529123 0.754600 P\n0.791104 0.381055 0.115494 P\n0.210354 0.614397 0.882909 P\n0.064147 0.462791 0.239707 P\n0.424741 0.566656 0.240799 P\n0.650719 0.622421 0.417608 P\n0.147362 0.872952 0.564859 P\n0.931645 0.936250 0.756174 P\n0.713123 0.882173 0.118502 P\n0.445613 0.974327 0.241793 P\n0.573077 0.006885 0.615114 O\n0.161232 0.026369 0.553128 O\n0.921450 0.085108 0.728238 O\n0.660044 0.103471 0.838383 O\n0.410579 0.096963 0.780202 O\n0.178000 0.191141 0.816269 O\n0.346250 0.226264 0.994920 O\n0.749646 0.023328 0.097293 O\n0.933657 0.126636 0.307171 O\n0.063358 0.063279 0.110161 O\n0.458820 0.129449 0.217880 O\n0.715465 0.190335 0.414385 O\n0.192824 0.155250 0.302819 O\n0.944634 0.220596 0.534555 O\n0.420129 0.289665 0.469104 O\n0.689402 0.331824 0.694694 O\n0.203359 0.321813 0.594301 O\n0.941813 0.385958 0.798336 O\n0.430738 0.367243 0.701835 O\n0.578880 0.415202 0.891366 O\n0.241180 0.476641 0.910529 O\n0.837033 0.268872 0.001558 O\n0.668729 0.321883 0.178839 O\n0.913595 0.391513 0.215211 O\n0.410534 0.419084 0.267342 O\n0.159078 0.370235 0.146009 O\n0.915001 0.521455 0.621529 O\n0.654624 0.470338 0.431553 O\n0.346615 0.535534 0.573862 O\n0.097151 0.468882 0.371146 O\n0.847415 0.627080 0.848853 O\n0.588152 0.579603 0.733928 O\n0.090458 0.600058 0.782189 O\n0.326665 0.691623 0.827511 O\n0.150442 0.718279 0.999136 O\n0.774127 0.518283 0.080722 O\n0.407132 0.577090 0.107806 O\n0.573942 0.625947 0.289141 O\n0.059220 0.608485 0.198972 O\n0.791980 0.689146 0.406322 O\n0.321979 0.676222 0.309670 O\n0.567420 0.715647 0.519521 O\n0.061489 0.781630 0.461809 O\n0.807129 0.843073 0.699134 O\n0.287067 0.813418 0.582839 O\n0.540268 0.866380 0.783537 O\n0.941033 0.932540 0.890818 O\n0.067175 0.869611 0.691764 O\n0.252658 0.981271 0.908695 O\n0.664918 0.775298 0.002849 O\n0.826768 0.808131 0.180983 O\n0.589247 0.898913 0.217259 O\n0.340634 0.891351 0.150428 O\n0.079922 0.910840 0.271938 O\n0.840040 0.976691 0.449903 O\n0.415751 0.976744 0.374837 O\n",
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"elements": [
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"O"
],
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"volume": 1039.5539657097563,
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"formula_full": "Li8 Mn8 P16 O56",
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"spacegroup": 1
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{
"id": "mp-1210011",
"created_at": "2022-09-04T14:39:21.472817Z",
"structure_string": "Nd3 Ga3 Co12\n1.0\n4.363434 -7.557689 0.000000\n4.363434 7.557689 0.000000\n0.000000 0.000000 4.021753\nNd Ga Co\n3 3 12\ndirect\n0.333333 0.666667 0.000000 Nd\n0.666667 0.333333 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.160382 0.320763 0.500000 Co\n0.839618 0.679237 0.500000 Co\n0.679237 0.839618 0.500000 Co\n0.320763 0.160382 0.500000 Co\n0.160382 0.839618 0.500000 Co\n0.839618 0.160382 0.500000 Co\n0.323891 0.000000 0.000000 Co\n0.676109 0.000000 0.000000 Co\n0.000000 0.323891 0.000000 Co\n0.000000 0.676109 0.000000 Co\n0.676109 0.676109 0.000000 Co\n0.323891 0.323891 0.000000 Co\n",
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"formula_full": "Nd3 Ga3 Co12",
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"spacegroup": 191
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{
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"structure_string": "Mn2 Fe1 W1 O6\n1.0\n4.992650 -2.676149 0.000000\n4.992650 2.676149 0.000000\n3.558187 0.000000 4.407679\nMn Fe W O\n2 1 1 6\ndirect\n0.218114 0.218114 0.218114 Mn\n0.719996 0.719996 0.719996 Mn\n0.500112 0.500112 0.500112 Fe\n0.006368 0.006368 0.006368 W\n0.126831 0.791045 0.369463 O\n0.369463 0.126831 0.791045 O\n0.791045 0.369463 0.126831 O\n0.651240 0.889211 0.263768 O\n0.263768 0.651240 0.889211 O\n0.889211 0.263768 0.651240 O\n",
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{
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{
"id": "mp-504742",
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"structure_string": "Pr16 Ga6 Co2\n1.0\n5.292949 -9.167657 0.000000\n5.292949 9.167657 0.000000\n0.000000 0.000000 7.032803\nPr Ga Co\n16 6 2\ndirect\n0.170399 0.829601 0.993633 Pr\n0.340797 0.170399 0.493633 Pr\n0.829601 0.659203 0.493633 Pr\n0.170399 0.340797 0.993633 Pr\n0.659203 0.829601 0.993633 Pr\n0.829601 0.170399 0.493633 Pr\n0.333333 0.666667 0.676392 Pr\n0.666667 0.333333 0.176392 Pr\n0.462450 0.537550 0.289632 Pr\n0.924900 0.462450 0.789632 Pr\n0.537550 0.075100 0.789632 Pr\n0.462450 0.924900 0.289632 Pr\n0.075100 0.537550 0.289632 Pr\n0.537550 0.462450 0.789632 Pr\n0.000000 0.000000 0.278269 Pr\n0.000000 0.000000 0.778269 Pr\n0.164493 0.835507 0.533075 Ga\n0.328985 0.164493 0.033075 Ga\n0.835507 0.671015 0.033075 Ga\n0.164493 0.328985 0.533075 Ga\n0.671015 0.835507 0.533075 Ga\n0.835507 0.164493 0.033075 Ga\n0.333333 0.666667 0.059318 Co\n0.666667 0.333333 0.559318 Co\n",
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{
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}