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"results": [
{
"id": "mp-21852",
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"structure_string": "Nb6 Pb2 S12\n1.0\n2.929786 -5.074538 0.000000\n2.929786 5.074538 0.000000\n0.000000 0.000000 14.988189\nNb Pb S\n6 2 12\ndirect\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.333333 0.666667 0.250000 Nb\n0.666667 0.333333 0.750000 Nb\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666667 0.750000 Nb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.336106 0.000000 0.146065 S\n0.000000 0.336106 0.146065 S\n0.663894 0.663894 0.146065 S\n0.336106 0.336106 0.646065 S\n0.663894 0.663894 0.353935 S\n0.663894 0.000000 0.646065 S\n0.000000 0.663894 0.646065 S\n0.000000 0.663894 0.853935 S\n0.336106 0.336106 0.853935 S\n0.000000 0.336106 0.353935 S\n0.336106 0.000000 0.353935 S\n0.663894 0.000000 0.853935 S\n",
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{
"id": "mp-531064",
"created_at": "2022-09-04T14:41:04.990002Z",
"structure_string": "K8 Mo24 Br56\n1.0\n14.128482 0.000000 0.000000\n0.000000 14.352916 0.000000\n0.000000 0.000000 14.393337\nK Mo Br\n8 24 56\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.750000 0.250000 0.250000 K\n0.250000 0.750000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.750000 0.250000 0.750000 K\n0.250000 0.750000 0.750000 K\n0.622590 0.540832 0.029963 Mo\n0.877410 0.959168 0.029963 Mo\n0.530580 0.379510 0.041230 Mo\n0.969420 0.120490 0.041230 Mo\n0.458625 0.531542 0.119951 Mo\n0.041375 0.968458 0.119951 Mo\n0.458625 0.968458 0.380049 Mo\n0.041375 0.531542 0.380049 Mo\n0.530580 0.120490 0.458770 Mo\n0.969420 0.379510 0.458770 Mo\n0.877410 0.540832 0.470037 Mo\n0.622590 0.959168 0.470037 Mo\n0.377410 0.040832 0.529963 Mo\n0.122590 0.459168 0.529963 Mo\n0.030580 0.620490 0.541230 Mo\n0.469420 0.879510 0.541230 Mo\n0.958625 0.468458 0.619951 Mo\n0.541375 0.031542 0.619951 Mo\n0.958625 0.031542 0.880049 Mo\n0.541375 0.468458 0.880049 Mo\n0.469420 0.620490 0.958770 Mo\n0.030580 0.879510 0.958770 Mo\n0.122590 0.040832 0.970037 Mo\n0.377410 0.459168 0.970037 Mo\n0.192582 0.889670 0.047535 Br\n0.307418 0.610330 0.047535 Br\n0.793585 0.594354 0.072976 Br\n0.706415 0.905646 0.072976 Br\n0.576930 0.209049 0.096850 Br\n0.923070 0.290951 0.096850 Br\n0.550499 0.689972 0.107448 Br\n0.949501 0.810028 0.107448 Br\n0.368618 0.371330 0.130139 Br\n0.131382 0.128670 0.130139 Br\n0.889643 0.046726 0.190080 Br\n0.610357 0.453274 0.190080 Br\n0.097329 0.577109 0.210006 Br\n0.402671 0.922891 0.210006 Br\n0.402671 0.577109 0.289994 Br\n0.097329 0.922891 0.289994 Br\n0.610357 0.046726 0.309920 Br\n0.889643 0.453274 0.309920 Br\n0.368618 0.128670 0.369861 Br\n0.131382 0.371330 0.369861 Br\n0.949501 0.689972 0.392552 Br\n0.550499 0.810028 0.392552 Br\n0.923070 0.209049 0.403150 Br\n0.576930 0.290951 0.403150 Br\n0.706415 0.594354 0.427024 Br\n0.793585 0.905646 0.427024 Br\n0.307418 0.889670 0.452465 Br\n0.192582 0.610330 0.452465 Br\n0.807418 0.389670 0.547535 Br\n0.692582 0.110330 0.547535 Br\n0.206415 0.094354 0.572976 Br\n0.293585 0.405646 0.572976 Br\n0.423070 0.709049 0.596850 Br\n0.076930 0.790951 0.596850 Br\n0.449501 0.189972 0.607448 Br\n0.050499 0.310028 0.607448 Br\n0.868618 0.628670 0.630139 Br\n0.631382 0.871330 0.630139 Br\n0.110357 0.546726 0.690080 Br\n0.389643 0.953274 0.690080 Br\n0.902671 0.077109 0.710006 Br\n0.597329 0.422891 0.710006 Br\n0.597329 0.077109 0.789994 Br\n0.902671 0.422891 0.789994 Br\n0.389643 0.546726 0.809920 Br\n0.110357 0.953274 0.809920 Br\n0.868618 0.871330 0.869861 Br\n0.631382 0.628670 0.869861 Br\n0.050499 0.189972 0.892552 Br\n0.449501 0.310028 0.892552 Br\n0.076930 0.709049 0.903150 Br\n0.423070 0.790951 0.903150 Br\n0.293585 0.094354 0.927024 Br\n0.206415 0.405646 0.927024 Br\n0.692582 0.389670 0.952465 Br\n0.807418 0.110330 0.952465 Br\n",
"nsites": 88,
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"elements": [
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],
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"density": 4.033632984934998,
"density_atomic": 0.030149876145759032,
"volume": 2918.7516251995726,
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"formula_full": "K8 Mo24 Br56",
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"energy": -468.70105945,
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"updated_at": "2021-11-28T01:35:20.008000Z",
"spacegroup": 48
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{
"id": "mp-6860",
"created_at": "2022-09-04T14:41:04.983056Z",
"structure_string": "Na12 Al4 P12 N4 O36\n1.0\n9.406753 0.000000 0.000000\n0.000000 9.406753 0.000000\n0.000000 0.000000 9.406753\nNa Al P N O\n12 4 12 4 36\ndirect\n0.949337 0.050663 0.550663 Na\n0.759840 0.740160 0.259840 Na\n0.740160 0.259840 0.759840 Na\n0.259840 0.759840 0.740160 Na\n0.240160 0.240160 0.240160 Na\n0.141420 0.358580 0.641420 Na\n0.358580 0.641420 0.141420 Na\n0.641420 0.141420 0.358580 Na\n0.449337 0.449337 0.449337 Na\n0.858580 0.858580 0.858580 Na\n0.050663 0.550663 0.949337 Na\n0.550663 0.949337 0.050663 Na\n0.332547 0.167453 0.832547 Al\n0.167453 0.832547 0.332547 Al\n0.832547 0.332547 0.167453 Al\n0.667453 0.667453 0.667453 Al\n0.171396 0.921614 0.010786 P\n0.010786 0.171396 0.921614 P\n0.921614 0.010786 0.171396 P\n0.989214 0.671396 0.578386 P\n0.489214 0.828604 0.421614 P\n0.578386 0.989214 0.671396 P\n0.828604 0.421614 0.489214 P\n0.671396 0.578386 0.989214 P\n0.421614 0.489214 0.828604 P\n0.078386 0.510786 0.328604 P\n0.510786 0.328604 0.078386 P\n0.328604 0.078386 0.510786 P\n0.942559 0.557441 0.442559 N\n0.557441 0.442559 0.942559 N\n0.442559 0.942559 0.557441 N\n0.057441 0.057441 0.057441 N\n0.349545 0.754063 0.379516 O\n0.589044 0.697525 0.059639 O\n0.910956 0.302475 0.559639 O\n0.697525 0.059639 0.589044 O\n0.559639 0.910956 0.302475 O\n0.059639 0.589044 0.697525 O\n0.802475 0.940361 0.089044 O\n0.940361 0.089044 0.802475 O\n0.254063 0.120484 0.650455 O\n0.650455 0.254063 0.120484 O\n0.120484 0.650455 0.254063 O\n0.379516 0.349545 0.754063 O\n0.150455 0.245937 0.879516 O\n0.302475 0.559639 0.910956 O\n0.849545 0.745937 0.620484 O\n0.089044 0.802475 0.940361 O\n0.620484 0.849545 0.745937 O\n0.754063 0.379516 0.349545 O\n0.745937 0.620484 0.849545 O\n0.245937 0.879516 0.150455 O\n0.217839 0.014424 0.407862 O\n0.407862 0.217839 0.014424 O\n0.014424 0.407862 0.217839 O\n0.485576 0.592138 0.717839 O\n0.907862 0.282161 0.985576 O\n0.985576 0.907862 0.282161 O\n0.092138 0.782161 0.514424 O\n0.592138 0.717839 0.485576 O\n0.514424 0.092138 0.782161 O\n0.717839 0.485576 0.592138 O\n0.782161 0.514424 0.092138 O\n0.282161 0.985576 0.907862 O\n0.410956 0.197525 0.440361 O\n0.440361 0.410956 0.197525 O\n0.197525 0.440361 0.410956 O\n0.879516 0.150455 0.245937 O\n",
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"formula_full": "Na12 Al4 P12 N4 O36",
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{
"id": "mp-684585",
"created_at": "2022-09-04T14:41:05.002966Z",
"structure_string": "Gd4 O6\n1.0\n5.357724 0.000000 0.000000\n0.000000 5.357724 0.000000\n0.000000 0.000000 5.357724\nGd O\n4 6\ndirect\n0.250000 0.250000 0.750000 Gd\n0.750000 0.250000 0.250000 Gd\n0.250000 0.750000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Gd4 O6",
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{
"id": "mp-977549",
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"structure_string": "Zr2 Os1 Ru1\n1.0\n0.000000 3.287405 3.287405\n3.287405 0.000000 3.287405\n3.287405 3.287405 0.000000\nZr Os Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
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{
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"structure_string": "Pr2 Fe17\n1.0\n4.856278 -4.298731 0.000000\n4.856278 4.298731 0.000000\n1.051082 0.000000 6.399825\nPr Fe\n2 17\ndirect\n0.658971 0.658971 0.658971 Pr\n0.341029 0.341029 0.341029 Pr\n0.341133 0.341133 0.846206 Fe\n0.846206 0.341133 0.341133 Fe\n0.096113 0.096113 0.096113 Fe\n0.903887 0.903887 0.903887 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.711548 0.288452 0.000000 Fe\n0.288452 0.000000 0.711548 Fe\n0.000000 0.711548 0.288452 Fe\n0.288452 0.711548 0.000000 Fe\n0.711548 0.000000 0.288452 Fe\n0.000000 0.288452 0.711548 Fe\n0.153794 0.658867 0.658867 Fe\n0.658867 0.658867 0.153794 Fe\n0.658867 0.153794 0.658867 Fe\n0.341133 0.846206 0.341133 Fe\n",
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{
"id": "mp-1038040",
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"structure_string": "Sr1 Mg30 Mn1 O32\n1.0\n8.615122 0.000000 0.000000\n0.000000 8.615122 0.000000\n0.000000 0.000000 8.613641\nSr Mg Mn O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246051 0.246051 0.000000 Mg\n0.753949 0.246051 0.000000 Mg\n0.246051 0.753949 0.000000 Mg\n0.753949 0.753949 0.000000 Mg\n0.249772 0.249772 0.500000 Mg\n0.750228 0.249772 0.500000 Mg\n0.249772 0.750228 0.500000 Mg\n0.750228 0.750228 0.500000 Mg\n0.250751 0.000000 0.251134 Mg\n0.749249 0.000000 0.251134 Mg\n0.245015 0.500000 0.254864 Mg\n0.754985 0.500000 0.254864 Mg\n0.250751 0.000000 0.748866 Mg\n0.749249 0.000000 0.748866 Mg\n0.245015 0.500000 0.745136 Mg\n0.754985 0.500000 0.745136 Mg\n0.000000 0.250751 0.251134 Mg\n0.500000 0.245015 0.254864 Mg\n0.000000 0.749249 0.251134 Mg\n0.500000 0.754985 0.254864 Mg\n0.000000 0.250751 0.748866 Mg\n0.500000 0.245015 0.745136 Mg\n0.000000 0.749249 0.748866 Mg\n0.500000 0.754985 0.745136 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.256648 O\n0.500000 0.000000 0.254320 O\n0.000000 0.500000 0.254320 O\n0.500000 0.500000 0.269988 O\n0.000000 0.000000 0.743352 O\n0.500000 0.000000 0.745680 O\n0.000000 0.500000 0.745680 O\n0.500000 0.500000 0.730012 O\n0.250225 0.250225 0.249297 O\n0.749775 0.250225 0.249297 O\n0.250225 0.749775 0.249297 O\n0.749775 0.749775 0.249297 O\n0.250225 0.250225 0.750703 O\n0.749775 0.250225 0.750703 O\n0.250225 0.749775 0.750703 O\n0.749775 0.749775 0.750703 O\n0.252782 0.000000 0.000000 O\n0.747218 0.000000 0.000000 O\n0.230632 0.500000 0.000000 O\n0.769368 0.500000 0.000000 O\n0.250286 0.000000 0.500000 O\n0.749714 0.000000 0.500000 O\n0.246533 0.500000 0.500000 O\n0.753467 0.500000 0.500000 O\n0.000000 0.252782 0.000000 O\n0.500000 0.230632 0.000000 O\n0.000000 0.747218 0.000000 O\n0.500000 0.769368 0.000000 O\n0.000000 0.250286 0.500000 O\n0.500000 0.246533 0.500000 O\n0.000000 0.749714 0.500000 O\n0.500000 0.753467 0.500000 O\n",
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"formula_full": "Sr1 Mg30 Mn1 O32",
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"spacegroup": 123
},
{
"id": "mp-1185999",
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"structure_string": "Mg2 Pb4\n1.0\n1.757840 -3.044668 0.000000\n1.757840 3.044668 0.000000\n0.000000 0.000000 16.033815\nMg Pb\n2 4\ndirect\n0.000000 0.000000 0.340695 Mg\n0.000000 0.000000 0.659305 Mg\n0.333333 0.666667 0.814849 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.185151 Pb\n0.333333 0.666667 0.500000 Pb\n",
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