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{
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{
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{
"id": "mp-972224",
"created_at": "2022-09-04T14:47:00.984439Z",
"structure_string": "Ta4 Ge4 Rh4\n1.0\n3.872197 0.000000 0.000000\n0.000000 6.472743 0.000000\n0.000000 0.000000 7.497377\nTa Ge Rh\n4 4 4\ndirect\n0.750000 0.527798 0.178545 Ta\n0.750000 0.027798 0.321455 Ta\n0.250000 0.972202 0.678545 Ta\n0.250000 0.472202 0.821455 Ta\n0.250000 0.240640 0.123832 Ge\n0.250000 0.740640 0.376168 Ge\n0.750000 0.259360 0.623832 Ge\n0.750000 0.759360 0.876168 Ge\n0.250000 0.855378 0.062921 Rh\n0.250000 0.355378 0.437079 Rh\n0.750000 0.644622 0.562921 Rh\n0.750000 0.144622 0.937079 Rh\n",
"nsites": 12,
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"density": 12.601011295642762,
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"volume": 187.91227801818533,
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"formula_full": "Ta4 Ge4 Rh4",
"formula_reduced": "TaGeRh",
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},
{
"id": "mp-1187233",
"created_at": "2022-09-04T14:44:31.442583Z",
"structure_string": "Ta1 Ge1 Ru2\n1.0\n0.000000 3.114258 3.114258\n3.114258 0.000000 3.114258\n3.114258 3.114258 0.000000\nTa Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ge\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Ta1 Ge1 Ru2",
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"updated_at": "2021-11-28T01:36:42.925000Z",
"spacegroup": 225
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{
"id": "mp-1093738",
"created_at": "2022-09-04T14:43:22.322271Z",
"structure_string": "Ta1 Ge1 Ru2\n1.0\n-4.553308 5.261981 7.279774\n4.553308 -5.261981 7.279774\n4.553308 5.261981 -7.279774\nTa Ge Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ge\n0.000000 0.260501 0.260501 Ru\n0.000000 0.739499 0.739499 Ru\n",
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"volume": 697.676656417424,
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"formula_full": "Ta1 Ge1 Ru2",
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{
"id": "mp-24723",
"created_at": "2022-09-04T14:48:11.997282Z",
"structure_string": "Ta1 H2\n1.0\n0.000000 2.270350 2.270350\n2.270350 0.000000 2.270350\n2.270350 2.270350 0.000000\nTa H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
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"formula_full": "Ta1 H2",
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"updated_at": "2021-11-28T01:38:35.085000Z",
"spacegroup": 225
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{
"id": "mp-571507",
"created_at": "2022-09-04T14:39:46.460643Z",
"structure_string": "Ta4 H80 C24 N12 Cl16\n1.0\n18.470848 0.000000 0.000000\n0.000000 8.884063 0.000000\n0.000000 5.899343 9.998445\nTa H C N Cl\n4 80 24 12 16\ndirect\n0.622452 0.953630 0.281801 Ta\n0.122452 0.046370 0.218199 Ta\n0.377548 0.046370 0.718199 Ta\n0.877548 0.953630 0.781801 Ta\n0.324840 0.757249 0.575398 H\n0.579428 0.214312 0.444189 H\n0.809136 0.952208 0.095062 H\n0.816969 0.826006 0.335739 H\n0.516633 0.230938 0.818301 H\n0.909441 0.493806 0.362987 H\n0.502671 0.568348 0.106056 H\n0.928990 0.183058 0.444663 H\n0.675160 0.242751 0.424602 H\n0.002671 0.431652 0.393944 H\n0.715690 0.695507 0.001895 H\n0.409441 0.506194 0.137013 H\n0.403055 0.105116 0.385298 H\n0.119193 0.701730 0.217648 H\n0.160172 0.224887 0.924311 H\n0.655270 0.592175 0.316343 H\n0.997329 0.568348 0.606056 H\n0.844730 0.592175 0.816343 H\n0.749156 0.613734 0.792552 H\n0.090559 0.506194 0.637013 H\n0.826422 0.317642 0.300767 H\n0.231435 0.074667 0.587549 H\n0.866662 0.152531 0.276199 H\n0.214861 0.493603 0.042428 H\n0.175160 0.757249 0.075398 H\n0.096945 0.105116 0.885298 H\n0.968499 0.541292 0.225356 H\n0.633338 0.152531 0.776199 H\n0.250844 0.386266 0.207448 H\n0.173578 0.682358 0.699233 H\n0.920572 0.214312 0.944189 H\n0.615473 0.378707 0.658890 H\n0.071010 0.816942 0.555337 H\n0.784310 0.695507 0.501895 H\n0.031501 0.458708 0.774644 H\n0.384527 0.621293 0.341110 H\n0.215690 0.304493 0.498105 H\n0.366662 0.847469 0.223801 H\n0.731435 0.925333 0.912451 H\n0.531501 0.541292 0.725356 H\n0.590559 0.493806 0.862987 H\n0.344730 0.407825 0.683657 H\n0.596945 0.894884 0.614702 H\n0.468499 0.458708 0.274644 H\n0.619193 0.298270 0.282352 H\n0.884527 0.378707 0.158890 H\n0.249156 0.386266 0.707448 H\n0.326422 0.682358 0.199233 H\n0.660172 0.775113 0.575689 H\n0.339828 0.224887 0.424311 H\n0.183031 0.173994 0.664261 H\n0.316969 0.173994 0.164261 H\n0.690864 0.952208 0.595062 H\n0.839828 0.775113 0.075689 H\n0.420572 0.785688 0.555811 H\n0.428990 0.816942 0.055337 H\n0.016633 0.769062 0.681699 H\n0.133338 0.847469 0.723801 H\n0.190864 0.047792 0.904938 H\n0.155270 0.407825 0.183657 H\n0.903055 0.894884 0.114702 H\n0.285139 0.493603 0.542428 H\n0.309136 0.047792 0.404938 H\n0.284310 0.304493 0.998105 H\n0.268565 0.074667 0.087549 H\n0.079428 0.785688 0.055811 H\n0.714861 0.506397 0.457572 H\n0.115473 0.621293 0.841110 H\n0.785139 0.506397 0.957572 H\n0.483367 0.769062 0.181699 H\n0.673578 0.317642 0.800767 H\n0.824840 0.242751 0.924602 H\n0.768565 0.925333 0.412451 H\n0.497329 0.431652 0.893944 H\n0.750844 0.613734 0.292552 H\n0.380807 0.701730 0.717648 H\n0.683031 0.826006 0.835739 H\n0.983367 0.230938 0.318301 H\n0.880807 0.298270 0.782352 H\n0.571010 0.183058 0.944663 H\n0.771388 0.809186 0.402893 C\n0.728612 0.809186 0.902893 C\n0.626544 0.205784 0.389253 C\n0.456016 0.551521 0.169503 C\n0.294350 0.384856 0.645521 C\n0.373456 0.794216 0.610747 C\n0.043984 0.551521 0.669503 C\n0.125732 0.718094 0.735919 C\n0.205650 0.384856 0.145521 C\n0.126544 0.794216 0.110747 C\n0.873456 0.205784 0.889253 C\n0.228612 0.190814 0.597107 C\n0.146451 0.094689 0.942259 C\n0.956016 0.448479 0.330497 C\n0.374268 0.718094 0.235919 C\n0.874268 0.281906 0.264081 C\n0.705650 0.615144 0.354479 C\n0.271388 0.190814 0.097107 C\n0.353549 0.094689 0.442259 C\n0.853549 0.905311 0.057741 C\n0.794350 0.615144 0.854479 C\n0.646451 0.905311 0.557741 C\n0.543984 0.448479 0.830497 C\n0.625732 0.281906 0.764081 C\n0.938063 0.276193 0.344738 N\n0.365133 0.972296 0.584964 N\n0.796435 0.781112 0.851575 N\n0.634867 0.027704 0.415036 N\n0.438063 0.723807 0.155262 N\n0.703565 0.781112 0.351575 N\n0.865133 0.027704 0.915036 N\n0.561937 0.276193 0.844738 N\n0.203565 0.218888 0.148425 N\n0.061937 0.723807 0.655262 N\n0.296435 0.218888 0.648425 N\n0.134867 0.972296 0.084964 N\n0.898247 0.884429 0.596298 Cl\n0.961966 0.718944 0.913382 Cl\n0.986513 0.142861 0.684913 Cl\n0.101753 0.115571 0.403702 Cl\n0.601753 0.884429 0.096298 Cl\n0.538034 0.718944 0.413382 Cl\n0.805222 0.195959 0.618417 Cl\n0.694778 0.195959 0.118417 Cl\n0.461966 0.281056 0.586618 Cl\n0.194778 0.804041 0.381583 Cl\n0.398247 0.115571 0.903702 Cl\n0.038034 0.281056 0.086618 Cl\n0.486513 0.857139 0.815087 Cl\n0.305222 0.804041 0.881583 Cl\n0.513487 0.142861 0.184913 Cl\n0.013487 0.857139 0.315087 Cl\n",
"nsites": 136,
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"elements": [
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"N",
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"formula_full": "Ta4 H80 C24 N12 Cl16",
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"updated_at": "2021-11-28T01:34:27.104000Z",
"spacegroup": 14
},
{
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}