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{
"id": "mp-1227466",
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"structure_string": "Ba2 V2 Se4 S2\n1.0\n3.457791 -6.056328 0.000000\n3.457791 6.056328 0.000000\n0.000000 0.000000 5.961433\nBa V Se S\n2 2 4 2\ndirect\n0.335245 0.664755 0.000000 Ba\n0.665809 0.334191 0.500000 Ba\n0.992932 0.007068 0.254690 V\n0.992932 0.007068 0.745310 V\n0.170550 0.829450 0.500000 Se\n0.334456 0.169958 0.000000 Se\n0.830042 0.665544 0.000000 Se\n0.830774 0.169226 0.000000 Se\n0.686348 0.838173 0.500000 S\n0.161827 0.313652 0.500000 S\n",
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{
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"structure_string": "Li4 Fe4 O4 F8\n1.0\n3.327446 0.000013 0.000017\n0.000024 5.741472 -0.000039\n0.000054 -0.000065 11.954057\nLi Fe O F\n4 4 4 8\ndirect\n0.499997 0.499996 0.000006 Li\n0.999997 0.999996 0.000006 Li\n0.999996 0.000002 0.499994 Li\n0.499996 0.500001 0.499994 Li\n0.499999 0.831241 0.750003 Fe\n0.500029 0.168721 0.249997 Fe\n0.999998 0.331241 0.750001 Fe\n0.000032 0.668720 0.249998 Fe\n0.000031 0.998462 0.249997 O\n0.500029 0.498467 0.249997 O\n0.499999 0.501496 0.750002 O\n0.999999 0.001503 0.750002 O\n0.000043 0.333423 0.584451 F\n0.500044 0.833426 0.584450 F\n0.999995 0.333419 0.915554 F\n0.499997 0.833422 0.915553 F\n0.500013 0.166563 0.415547 F\n0.000010 0.666565 0.415546 F\n0.499997 0.166571 0.084450 F\n0.999998 0.666572 0.084450 F\n",
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{
"id": "mp-1210859",
"created_at": "2022-09-04T14:40:19.015982Z",
"structure_string": "Li1 Ti1 S2 O1\n1.0\n7.626079 -1.685247 0.000000\n7.626079 1.685247 0.000000\n7.253665 0.000000 2.895079\nLi Ti S O\n1 1 2 1\ndirect\n0.668464 0.668464 0.668464 Li\n0.834020 0.834020 0.834020 Ti\n0.436800 0.436800 0.436800 S\n0.229870 0.229870 0.229870 S\n0.000850 0.000850 0.000850 O\n",
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},
{
"id": "mp-1226509",
"created_at": "2022-09-04T14:43:20.105070Z",
"structure_string": "Ce1 Zn1 Cu1 P2\n1.0\n2.001967 -3.467509 0.000000\n2.001967 3.467509 0.000000\n0.000000 0.000000 6.653841\nCe Zn Cu P\n1 1 1 2\ndirect\n0.333333 0.666667 0.990135 Ce\n0.000000 0.000000 0.372735 Zn\n0.666667 0.333333 0.639097 Cu\n0.666667 0.333333 0.261602 P\n0.000000 0.000000 0.736432 P\n",
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},
{
"id": "mp-643754",
"created_at": "2022-09-04T14:43:18.782746Z",
"structure_string": "Hg2 H4 N2 Cl2\n1.0\n4.490756 0.000000 0.000000\n0.000000 5.104160 0.000000\n0.000000 0.000000 6.811053\nHg H N Cl\n2 4 2 2\ndirect\n0.000000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.816180 0.369224 0.250000 H\n0.816180 0.630776 0.750000 H\n0.183820 0.630776 0.750000 H\n0.183820 0.369224 0.250000 H\n0.000000 0.247658 0.250000 N\n0.000000 0.752342 0.750000 N\n0.500000 0.723882 0.250000 Cl\n0.500000 0.276118 0.750000 Cl\n",
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"spacegroup": 51
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{
"id": "mp-1205773",
"created_at": "2022-09-04T14:43:03.163294Z",
"structure_string": "Sm2 Si2 Ru4 C2\n1.0\n1.943775 -5.567046 0.000000\n1.943775 5.567046 0.000000\n0.000000 0.000000 7.215269\nSm Si Ru C\n2 2 4 2\ndirect\n0.547495 0.452505 0.250000 Sm\n0.452505 0.547495 0.750000 Sm\n0.268962 0.731038 0.250000 Si\n0.731038 0.268962 0.750000 Si\n0.835389 0.164611 0.058344 Ru\n0.164611 0.835389 0.941656 Ru\n0.164611 0.835389 0.558344 Ru\n0.835389 0.164611 0.441656 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"elements": [
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"volume": 156.1540759653627,
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"formula_full": "Sm2 Si2 Ru4 C2",
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"spacegroup": 63
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{
"id": "mp-1180956",
"created_at": "2022-09-04T14:42:59.930536Z",
"structure_string": "K4 I4 Br8 O4\n1.0\n11.861679 0.000000 0.000000\n0.000000 12.019574 0.000000\n0.000000 0.000000 5.351083\nK I Br O\n4 4 8 4\ndirect\n0.822276 0.216836 0.500000 K\n0.177724 0.783164 0.500000 K\n0.322276 0.283164 0.000000 K\n0.677724 0.716836 0.000000 K\n0.500000 0.500000 0.500000 I\n0.000000 0.000000 0.000000 I\n0.500000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n0.520391 0.267993 0.500000 Br\n0.479609 0.732007 0.500000 Br\n0.020391 0.232007 0.000000 Br\n0.979609 0.767993 0.000000 Br\n0.722720 0.939610 0.500000 Br\n0.277280 0.060390 0.500000 Br\n0.222720 0.560390 0.000000 Br\n0.777280 0.439610 0.000000 Br\n0.804797 0.226246 0.000000 O\n0.195203 0.773754 0.000000 O\n0.304797 0.273754 0.500000 O\n0.695203 0.726246 0.500000 O\n",
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"formula_full": "K4 I4 Br8 O4",
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{
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"structure_string": "Tb2 P2 Ru4 C2\n1.0\n1.902021 -5.513999 0.000000\n1.902021 5.513999 0.000000\n0.000000 0.000000 7.078588\nTb P Ru C\n2 2 4 2\ndirect\n0.955169 0.044831 0.250000 Tb\n0.044831 0.955169 0.750000 Tb\n0.230712 0.769288 0.250000 P\n0.769288 0.230712 0.750000 P\n0.334280 0.665720 0.946436 Ru\n0.665720 0.334280 0.053564 Ru\n0.334280 0.665720 0.553564 Ru\n0.665720 0.334280 0.446436 Ru\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n",
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{
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"structure_string": "Na1 Fe1 Cu1 S2\n1.0\n-1.929953 -3.336860 0.002413\n-1.924829 3.333902 0.000000\n0.002177 0.001257 -6.881036\nNa Fe Cu S\n1 1 1 2\ndirect\n0.000205 0.000102 0.993554 Na\n0.667380 0.333690 0.387862 Fe\n0.332433 0.666217 0.620619 Cu\n0.667105 0.333552 0.726237 S\n0.332877 0.666439 0.271729 S\n",
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{
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"structure_string": "K2 Se2 O4 F2\n1.0\n6.171780 0.000000 0.000000\n0.000000 4.569794 0.000000\n0.000000 2.349884 7.035047\nK Se O F\n2 2 4 2\ndirect\n0.750000 0.832752 0.325393 K\n0.250000 0.167248 0.674607 K\n0.750000 0.587621 0.839987 Se\n0.250000 0.412379 0.160013 Se\n0.467246 0.344961 0.301187 O\n0.967246 0.655039 0.698813 O\n0.532754 0.655039 0.698813 O\n0.032754 0.344961 0.301187 O\n0.750000 0.139830 0.916063 F\n0.250000 0.860170 0.083937 F\n",
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{
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{
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"structure_string": "Cd1 Bi1 I1 O2\n1.0\n-2.012181 2.012181 6.605730\n2.012181 -2.012181 6.605730\n2.012181 2.012181 -6.605730\nCd Bi I O\n1 1 1 2\ndirect\n0.836702 0.836702 0.000000 Cd\n0.171281 0.171281 0.000000 Bi\n0.489229 0.489229 0.000000 I\n0.751394 0.251394 0.500000 O\n0.251394 0.751394 0.500000 O\n",
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]
}