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{
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{
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"created_at": "2022-09-04T14:47:01.993167Z",
"structure_string": "Ba6 Sr4 Re6 Cl2 O30\n1.0\n5.451797 -9.442789 0.000000\n5.451797 9.442789 0.000000\n0.000000 0.000000 7.820346\nBa Sr Re Cl O\n6 4 6 2 30\ndirect\n0.736826 0.000000 0.226726 Ba\n0.000000 0.736826 0.226726 Ba\n0.263174 0.000000 0.726726 Ba\n0.000000 0.263174 0.726726 Ba\n0.263174 0.263174 0.226726 Ba\n0.736826 0.736826 0.726726 Ba\n0.333333 0.666667 0.471716 Sr\n0.666667 0.333333 0.971716 Sr\n0.333333 0.666667 0.971716 Sr\n0.666667 0.333333 0.471716 Sr\n0.391754 0.000000 0.170220 Re\n0.000000 0.391754 0.170220 Re\n0.608246 0.000000 0.670220 Re\n0.000000 0.608246 0.670220 Re\n0.608246 0.608246 0.170220 Re\n0.391754 0.391754 0.670220 Re\n0.000000 0.000000 0.001873 Cl\n0.000000 0.000000 0.501873 Cl\n0.135534 0.579985 0.213841 O\n0.420015 0.555549 0.213841 O\n0.864466 0.420015 0.713841 O\n0.420015 0.864466 0.713841 O\n0.444451 0.864466 0.213841 O\n0.579985 0.444451 0.713841 O\n0.444451 0.579985 0.713841 O\n0.579985 0.135534 0.213841 O\n0.555549 0.135534 0.713841 O\n0.555549 0.420015 0.213841 O\n0.135534 0.555549 0.713841 O\n0.864466 0.444451 0.213841 O\n0.134747 0.392314 0.026134 O\n0.607686 0.742433 0.026134 O\n0.865253 0.607686 0.526134 O\n0.607686 0.865253 0.526134 O\n0.257567 0.865253 0.026134 O\n0.392314 0.257567 0.526134 O\n0.257567 0.392314 0.526134 O\n0.392314 0.134747 0.026134 O\n0.742433 0.134747 0.526134 O\n0.742433 0.607686 0.026134 O\n0.134747 0.742433 0.526134 O\n0.865253 0.257567 0.026134 O\n0.291955 0.000000 0.347536 O\n0.000000 0.291955 0.347536 O\n0.708045 0.000000 0.847536 O\n0.000000 0.708045 0.847536 O\n0.708045 0.708045 0.347536 O\n0.291955 0.291955 0.847536 O\n",
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{
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"created_at": "2022-09-04T14:47:02.004901Z",
"structure_string": "Al2 W6 Se4 Cl2 O16\n1.0\n7.534406 0.000000 0.000000\n1.715813 8.334525 0.000000\n1.525184 3.618389 10.119446\nAl W Se Cl O\n2 6 4 2 16\ndirect\n0.227302 0.612033 0.695926 Al\n0.827132 0.356037 0.291348 Al\n0.890453 0.599375 0.957541 W\n0.040981 0.055630 0.547477 W\n0.951714 0.945512 0.995303 W\n0.353966 0.356587 0.315806 W\n0.615648 0.554542 0.710543 W\n0.977096 0.481079 0.505116 W\n0.708598 0.891017 0.863884 Se\n0.498217 0.024362 0.118565 Se\n0.776166 0.265152 0.635798 Se\n0.430062 0.036147 0.331541 Se\n0.242397 0.640147 0.341889 Cl\n0.144275 0.022786 0.783222 Cl\n0.739643 0.510876 0.857787 O\n0.428677 0.431797 0.735618 O\n0.586597 0.368200 0.331500 O\n0.099869 0.586551 0.850660 O\n0.934150 0.151878 0.378394 O\n0.894500 0.510414 0.340659 O\n0.014841 0.713560 0.059584 O\n0.113356 0.028016 0.045788 O\n0.117445 0.497522 0.625737 O\n0.752738 0.022641 0.097833 O\n0.762361 0.642449 0.556204 O\n0.179534 0.276912 0.470522 O\n0.833091 0.435595 0.117228 O\n0.116154 0.822378 0.594481 O\n0.305620 0.423588 0.152566 O\n0.437414 0.737220 0.691477 O\n",
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"elements": [
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"formula_full": "Al2 W6 Se4 Cl2 O16",
"formula_reduced": "AlW3Se2ClO8",
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"energy": -233.26446149000003,
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{
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"created_at": "2022-09-04T14:47:02.007418Z",
"structure_string": "Pt3 F1\n1.0\n0.000000 3.090403 3.090403\n3.090403 0.000000 3.090403\n3.090403 3.090403 0.000000\nPt F\n3 1\ndirect\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 F\n",
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{
"id": "mp-1030120",
"created_at": "2022-09-04T14:47:02.015125Z",
"structure_string": "Te4 Mo1 W3 Se4\n1.0\n1.718427 -2.976404 0.000000\n1.718427 2.976404 0.000000\n0.000000 0.000000 39.171683\nTe Mo W Se\n4 1 3 4\ndirect\n0.000000 0.000000 0.329506 Te\n0.333333 0.666667 0.046555 Te\n0.333333 0.666667 0.141247 Te\n0.000000 0.000000 0.234153 Te\n0.000000 0.000000 0.093878 Mo\n0.000000 0.000000 0.469653 W\n0.333333 0.666667 0.281818 W\n0.333333 0.666667 0.657530 W\n0.000000 0.000000 0.699469 Se\n0.333333 0.666667 0.427726 Se\n0.333333 0.666667 0.511614 Se\n0.000000 0.000000 0.615598 Se\n",
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"formula_full": "Te4 Mo1 W3 Se4",
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{
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"structure_string": "Sr1 Ga2 H2\n1.0\n2.207559 -3.823605 0.000000\n2.207559 3.823605 0.000000\n0.000000 0.000000 4.683963\nSr Ga H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.463017 Ga\n0.666667 0.333333 0.536983 Ga\n0.333333 0.666667 0.099138 H\n0.666667 0.333333 0.900862 H\n",
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{
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"structure_string": "Ca6 Co8 Sn26\n1.0\n9.639199 0.000000 0.000000\n0.000000 9.639199 0.000000\n0.000000 0.000000 9.639199\nCa Co Sn\n6 8 26\ndirect\n0.500000 0.000000 0.750000 Ca\n0.000000 0.250000 0.500000 Ca\n0.750000 0.500000 0.000000 Ca\n0.500000 0.000000 0.250000 Ca\n0.000000 0.750000 0.500000 Ca\n0.250000 0.500000 0.000000 Ca\n0.750000 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.657431 0.198647 0.500000 Sn\n0.801353 0.500000 0.657431 Sn\n0.500000 0.342569 0.801353 Sn\n0.342569 0.801353 0.500000 Sn\n0.198647 0.500000 0.342569 Sn\n0.500000 0.657431 0.198647 Sn\n0.657431 0.801353 0.500000 Sn\n0.801353 0.500000 0.342569 Sn\n0.342569 0.198647 0.500000 Sn\n0.198647 0.500000 0.657431 Sn\n0.500000 0.657431 0.801353 Sn\n0.500000 0.342569 0.198647 Sn\n0.157431 0.000000 0.698647 Sn\n0.301353 0.157431 0.000000 Sn\n0.000000 0.301353 0.842569 Sn\n0.842569 0.000000 0.301353 Sn\n0.698647 0.842569 0.000000 Sn\n0.000000 0.698647 0.157431 Sn\n0.157431 0.000000 0.301353 Sn\n0.301353 0.842569 0.000000 Sn\n0.842569 0.000000 0.698647 Sn\n0.698647 0.157431 0.000000 Sn\n0.000000 0.301353 0.157431 Sn\n0.000000 0.698647 0.842569 Sn\n",
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{
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"structure_string": "Sr8 Ti4 Fe4 O24\n1.0\n3.936774 0.000001 -0.000194\n0.000003 15.747564 0.000008\n-0.000387 0.000004 7.839875\nSr Ti Fe O\n8 4 4 24\ndirect\n0.500005 0.125021 0.255405 Sr\n0.500005 0.374999 0.255096 Sr\n0.500002 0.624982 0.255404 Sr\n0.500004 0.874999 0.255119 Sr\n0.499996 0.125021 0.744594 Sr\n0.499996 0.374999 0.744903 Sr\n0.499996 0.624981 0.744595 Sr\n0.499998 0.874998 0.744881 Sr\n0.000001 0.999861 0.000001 Ti\n0.000000 0.250140 0.000000 Ti\n0.000002 0.499860 0.000000 Ti\n0.000000 0.750139 0.999999 Ti\n0.000001 0.249456 0.499999 Fe\n0.999999 0.500545 0.500001 Fe\n0.000001 0.000553 0.500001 Fe\n0.000000 0.749446 0.500001 Fe\n0.000016 0.999887 0.249869 O\n0.000017 0.250113 0.249867 O\n0.000016 0.499887 0.249866 O\n0.000020 0.750113 0.249872 O\n0.999985 0.999888 0.750132 O\n0.999981 0.250113 0.750131 O\n0.999985 0.499886 0.750132 O\n0.999984 0.750113 0.750130 O\n0.000000 0.125000 0.000000 O\n0.999998 0.375002 0.000001 O\n0.999997 0.624999 0.000001 O\n0.999999 0.875000 0.000000 O\n0.500001 0.999983 0.000000 O\n0.499999 0.250015 0.000000 O\n0.499998 0.499986 0.000000 O\n0.500000 0.750016 0.999999 O\n0.999999 0.125006 0.500000 O\n0.000000 0.375001 0.500000 O\n0.000001 0.624995 0.500000 O\n0.999999 0.874999 0.500000 O\n0.500001 0.999641 0.500002 O\n0.499999 0.250362 0.500001 O\n0.500001 0.499636 0.500001 O\n0.499998 0.750360 0.499999 O\n",
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{
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"structure_string": "Ba4 Si4 Ge4\n1.0\n6.898857 0.000000 0.000000\n0.000000 6.898857 0.000000\n0.000000 0.000000 6.898857\nBa Si Ge\n4 4 4\ndirect\n0.373897 0.873897 0.626103 Ba\n0.626103 0.373897 0.873897 Ba\n0.873897 0.626103 0.373897 Ba\n0.126103 0.126103 0.126103 Ba\n0.077236 0.577236 0.922764 Si\n0.577236 0.922764 0.077236 Si\n0.922764 0.077236 0.577236 Si\n0.422764 0.422764 0.422764 Si\n0.671998 0.171998 0.328002 Ge\n0.328002 0.671998 0.171998 Ge\n0.171998 0.328002 0.671998 Ge\n0.828002 0.828002 0.828002 Ge\n",
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