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{
"id": "mp-13447",
"created_at": "2022-09-04T14:44:27.096019Z",
"structure_string": "Zn13 Rh1\n1.0\n3.802132 5.490137 0.000000\n-3.802132 5.490137 0.000000\n0.000000 1.045675 5.045225\nZn Rh\n13 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.618391 0.221517 0.320711 Zn\n0.778483 0.381609 0.679289 Zn\n0.381609 0.778483 0.679289 Zn\n0.221517 0.618391 0.320711 Zn\n0.361383 0.997269 0.197816 Zn\n0.002731 0.638617 0.802184 Zn\n0.638617 0.002731 0.802184 Zn\n0.997269 0.361383 0.197816 Zn\n0.776058 0.776058 0.369418 Zn\n0.223942 0.223942 0.630582 Zn\n0.612466 0.612466 0.071331 Zn\n0.387534 0.387534 0.928669 Zn\n0.000000 0.000000 0.500000 Rh\n",
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{
"id": "mp-1100189",
"created_at": "2022-09-04T14:44:27.215692Z",
"structure_string": "Ce34 Se68\n1.0\n-16.837823 -16.837823 0.000000\n-16.837823 0.000000 -16.837823\n-0.000000 -16.837823 -16.837823\nCe Se\n34 68\ndirect\n0.265078 0.994012 0.370484 Ce\n0.870484 0.370425 0.765078 Ce\n0.870425 0.370484 0.994012 Ce\n0.494013 0.765078 0.370425 Ce\n0.265078 0.370425 0.994012 Ce\n0.870484 0.994012 0.370425 Ce\n0.870425 0.765078 0.370484 Ce\n0.494013 0.370484 0.765078 Ce\n0.265078 0.370484 0.370425 Ce\n0.870484 0.765078 0.994012 Ce\n0.870425 0.994012 0.765078 Ce\n0.494013 0.370425 0.370484 Ce\n0.734922 0.005987 0.629516 Ce\n0.129516 0.629575 0.234922 Ce\n0.129575 0.629516 0.005987 Ce\n0.505988 0.234922 0.629575 Ce\n0.734922 0.629575 0.005987 Ce\n0.129516 0.005987 0.629575 Ce\n0.129575 0.234922 0.629516 Ce\n0.505988 0.629516 0.234922 Ce\n0.734922 0.629516 0.629575 Ce\n0.129516 0.234922 0.005987 Ce\n0.129575 0.005987 0.234922 Ce\n0.505988 0.629575 0.629516 Ce\n0.717174 0.848478 0.217174 Ce\n0.717174 0.217174 0.217174 Ce\n0.717174 0.217174 0.848478 Ce\n0.348478 0.217174 0.217174 Ce\n0.282826 0.151522 0.782826 Ce\n0.282826 0.782826 0.782826 Ce\n0.282826 0.782826 0.151522 Ce\n0.651522 0.782826 0.782826 Ce\n0.625000 0.125000 0.125000 Ce\n0.375000 0.875000 0.875000 Ce\n0.999827 0.000432 0.686939 Se\n0.186939 0.312802 0.499827 Se\n0.812802 0.686939 0.000432 Se\n0.500432 0.499827 0.312802 Se\n0.999827 0.312802 0.000432 Se\n0.186939 0.000432 0.312802 Se\n0.812802 0.499827 0.686939 Se\n0.500432 0.686939 0.499827 Se\n0.999827 0.686939 0.312802 Se\n0.186939 0.499827 0.000432 Se\n0.812802 0.000432 0.499827 Se\n0.500432 0.312802 0.686939 Se\n0.000173 0.999568 0.313061 Se\n0.813061 0.687198 0.500173 Se\n0.187198 0.313061 0.999568 Se\n0.499568 0.500173 0.687198 Se\n0.000173 0.687198 0.999568 Se\n0.813061 0.999568 0.687198 Se\n0.187198 0.500173 0.313061 Se\n0.499568 0.313061 0.500173 Se\n0.000173 0.313061 0.687198 Se\n0.813061 0.500173 0.999568 Se\n0.187198 0.999568 0.500173 Se\n0.499568 0.687198 0.313061 Se\n0.393468 0.705965 0.194590 Se\n0.694590 0.705977 0.893468 Se\n0.205977 0.194590 0.705965 Se\n0.205965 0.893468 0.705977 Se\n0.393468 0.705977 0.705965 Se\n0.694590 0.705965 0.705977 Se\n0.205977 0.893468 0.194590 Se\n0.205965 0.194590 0.893468 Se\n0.393468 0.194590 0.705977 Se\n0.694590 0.893468 0.705965 Se\n0.205977 0.705965 0.893468 Se\n0.205965 0.705977 0.194590 Se\n0.606532 0.294035 0.805410 Se\n0.305410 0.294023 0.106532 Se\n0.794023 0.805410 0.294035 Se\n0.794035 0.106532 0.294023 Se\n0.606532 0.294023 0.294035 Se\n0.305410 0.294035 0.294023 Se\n0.794023 0.106532 0.805410 Se\n0.794035 0.805410 0.106532 Se\n0.606532 0.805410 0.294023 Se\n0.305410 0.106532 0.294035 Se\n0.794023 0.294035 0.106532 Se\n0.794035 0.294023 0.805410 Se\n0.873162 0.876838 0.876838 Se\n0.376838 0.373162 0.373162 Se\n0.873162 0.373162 0.876838 Se\n0.376838 0.876838 0.373162 Se\n0.873162 0.876838 0.373162 Se\n0.376838 0.373162 0.876838 Se\n0.126838 0.123162 0.123162 Se\n0.623162 0.626838 0.626838 Se\n0.126838 0.626838 0.123162 Se\n0.623162 0.123162 0.626838 Se\n0.126838 0.123162 0.626838 Se\n0.623162 0.626838 0.123162 Se\n0.671047 0.986858 0.171047 Se\n0.671047 0.171047 0.171047 Se\n0.671047 0.171047 0.986858 Se\n0.486858 0.171047 0.171047 Se\n0.328953 0.013142 0.828953 Se\n0.328953 0.828953 0.828953 Se\n0.328953 0.828953 0.013142 Se\n0.513142 0.828953 0.828953 Se\n",
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"elements": [
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"density": 1.762418022266607,
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"volume": 9547.459291733967,
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"formula_full": "Ce34 Se68",
"formula_reduced": "CeSe2",
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"energy": -580.95556681,
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},
{
"id": "mp-23587",
"created_at": "2022-09-04T14:44:27.355712Z",
"structure_string": "Ho4 Se4 Cl4 O12\n1.0\n6.989292 0.000000 0.000000\n0.000000 7.279684 0.000000\n0.000000 0.000000 8.855614\nHo Se Cl O\n4 4 4 12\ndirect\n0.250000 0.604365 0.539011 Ho\n0.750000 0.395635 0.460989 Ho\n0.250000 0.104365 0.960989 Ho\n0.750000 0.895635 0.039011 Ho\n0.250000 0.209198 0.366733 Se\n0.750000 0.790802 0.633267 Se\n0.750000 0.290802 0.866733 Se\n0.250000 0.709198 0.133267 Se\n0.750000 0.558828 0.182768 Cl\n0.750000 0.058828 0.317232 Cl\n0.250000 0.441172 0.817232 Cl\n0.250000 0.941172 0.682768 Cl\n0.250000 0.252180 0.177930 O\n0.750000 0.747820 0.822070 O\n0.250000 0.752180 0.322070 O\n0.750000 0.247820 0.677930 O\n0.927802 0.640861 0.567456 O\n0.427802 0.359139 0.432544 O\n0.572198 0.140861 0.932544 O\n0.927802 0.140861 0.932544 O\n0.072198 0.359139 0.432544 O\n0.572198 0.640861 0.567456 O\n0.427802 0.859139 0.067456 O\n0.072198 0.859139 0.067456 O\n",
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"elements": [
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],
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"density": 4.8255385870581256,
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"volume": 450.5721981277176,
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"formula_full": "Ho4 Se4 Cl4 O12",
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"updated_at": "2021-11-28T01:36:37.842000Z",
"spacegroup": 62
},
{
"id": "mp-4351",
"created_at": "2022-09-04T14:44:27.073797Z",
"structure_string": "K4 B4 S14\n1.0\n3.491306 7.569543 0.000000\n-3.491306 7.569543 0.000000\n0.000000 6.726371 10.031978\nK B S\n4 4 14\ndirect\n0.666279 0.127366 0.025184 K\n0.127366 0.666279 0.525184 K\n0.333721 0.872634 0.974816 K\n0.872634 0.333721 0.474816 K\n0.842170 0.390271 0.148474 B\n0.609729 0.157830 0.351526 B\n0.157830 0.609729 0.851526 B\n0.390271 0.842170 0.648474 B\n0.549655 0.450345 0.250000 S\n0.100255 0.054520 0.727423 S\n0.945480 0.899745 0.772577 S\n0.899745 0.945480 0.272577 S\n0.432958 0.840580 0.477651 S\n0.450345 0.549655 0.750000 S\n0.159420 0.567042 0.022349 S\n0.567042 0.159420 0.522349 S\n0.840580 0.432958 0.977651 S\n0.601671 0.858443 0.657482 S\n0.858443 0.601671 0.157482 S\n0.398329 0.141557 0.342518 S\n0.141557 0.398329 0.842518 S\n0.054520 0.100255 0.227423 S\n",
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{
"id": "mp-1206151",
"created_at": "2022-09-04T14:44:27.350428Z",
"structure_string": "Ce2 Mn2 Sn4\n1.0\n2.294202 -9.045477 0.000000\n2.294202 9.045477 0.000000\n0.000000 0.000000 4.783715\nCe Mn Sn\n2 2 4\ndirect\n0.610317 0.389683 0.750000 Ce\n0.389683 0.610317 0.250000 Ce\n0.816419 0.183581 0.750000 Mn\n0.183581 0.816419 0.250000 Mn\n0.956343 0.043657 0.750000 Sn\n0.043657 0.956343 0.250000 Sn\n0.247227 0.752773 0.750000 Sn\n0.752773 0.247227 0.250000 Sn\n",
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"formula_full": "Ce2 Mn2 Sn4",
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{
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{
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"structure_string": "Ta4 Ni2 Se10\n1.0\n1.756160 -6.814022 0.000000\n1.756160 6.814022 0.000000\n0.000000 0.000000 15.786864\nTa Ni Se\n4 2 10\ndirect\n0.221608 0.778392 0.110710 Ta\n0.221608 0.778392 0.389290 Ta\n0.778392 0.221608 0.889290 Ta\n0.778392 0.221608 0.610710 Ta\n0.702338 0.297662 0.250000 Ni\n0.297662 0.702338 0.750000 Ni\n0.587569 0.412431 0.138390 Se\n0.587569 0.412431 0.361610 Se\n0.412431 0.587569 0.861610 Se\n0.412431 0.587569 0.638390 Se\n0.151942 0.848058 0.950618 Se\n0.151942 0.848058 0.549382 Se\n0.848058 0.151942 0.049382 Se\n0.848058 0.151942 0.450618 Se\n0.321432 0.678568 0.250000 Se\n0.678568 0.321432 0.750000 Se\n",
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{
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{
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