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{
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"structure_string": "Cr2 Fe1 S4\n1.0\n0.000000 3.184533 -0.000000\n0.130540 -0.000000 5.690326\n5.336829 -1.592268 -2.642896\nCr Fe S\n2 1 4\ndirect\n0.738274 0.681396 0.476549 Cr\n0.261725 0.318605 0.523451 Cr\n0.000000 0.000000 0.000000 Fe\n0.637785 0.978801 0.275574 S\n0.362213 0.021199 0.724427 S\n0.894128 0.560823 0.788258 S\n0.105870 0.439178 0.211742 S\n",
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"density_atomic": 0.07156913989857001,
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"formula_full": "Cr2 Fe1 S4",
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{
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"created_at": "2022-09-04T14:37:04.402733Z",
"updated_at": "2022-09-04T14:37:04.402755Z",
"structure_string": "Cr2 Fe1 Se4\n1.0\n3.515217 0.000000 -0.954994\n-0.752211 5.633427 -2.768800\n-0.128142 -0.218816 6.475370\nCr Fe Se\n2 1 4\ndirect\n0.741104 0.720961 0.482207 Cr\n0.258898 0.279039 0.517794 Cr\n0.000000 0.000000 0.000000 Fe\n0.375184 0.031582 0.750368 Se\n0.624818 0.968418 0.249633 Se\n0.886149 0.556926 0.772296 Se\n0.113853 0.443074 0.227705 Se\n",
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"volume": 125.25362921032084,
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"formula_full": "Cr2 Fe1 Se4",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:37:54.715942Z",
"updated_at": "2022-09-04T14:37:54.715963Z",
"structure_string": "Cr2 Fe1 Te4\n1.0\n0.000000 4.028170 0.000000\n-0.098139 0.000000 6.902067\n5.883595 -2.014085 -3.369096\nCr Fe Te\n2 1 4\ndirect\n0.251459 0.265134 0.502918 Cr\n0.748539 0.734865 0.497081 Cr\n0.000000 0.000000 0.000000 Fe\n0.119947 0.456630 0.239893 Te\n0.880051 0.543370 0.760106 Te\n0.374178 0.040737 0.748357 Te\n0.625821 0.959262 0.251642 Te\n",
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"density": 6.859593973545102,
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"formula_full": "Cr2 Fe1 Te4",
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{
"id": "jvasp-110264",
"created_at": "2022-09-04T14:38:17.614909Z",
"updated_at": "2022-09-04T14:38:17.614928Z",
"structure_string": "Cr2 Fe2 As4\n1.0\n3.501954 -0.000000 0.000000\n0.000000 5.457092 0.000000\n0.000000 -0.000000 6.078888\nCr Fe As\n2 2 4\ndirect\n0.499999 0.743930 0.799369 Cr\n-0.000000 0.256070 0.299369 Cr\n0.499999 0.250248 0.696980 Fe\n-0.000000 0.749751 0.196979 Fe\n0.499999 0.039983 0.086156 As\n0.499999 0.556863 0.417497 As\n-0.000000 0.443137 0.917497 As\n-0.000000 0.960017 0.586156 As\n",
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"formula_full": "Cr2 Fe2 As4",
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{
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"created_at": "2022-09-04T14:36:54.561330Z",
"updated_at": "2022-09-04T14:36:54.561352Z",
"structure_string": "Cr2 Fe2 B4\n1.0\n2.920498 -0.000000 0.000000\n0.000000 4.104015 0.000000\n-0.000000 -0.000000 5.499024\nCr Fe B\n2 2 4\ndirect\n-0.000000 0.127155 0.678799 Cr\n-0.000000 0.872846 0.178800 Cr\n0.500000 0.363655 0.321507 Fe\n0.500000 0.636347 0.821506 Fe\n-0.000000 0.628533 0.534643 B\n-0.000000 0.371468 0.034643 B\n0.500000 0.855419 0.465051 B\n0.500000 0.144582 0.965050 B\n",
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"spacegroup": 26
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{
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"structure_string": "Cr2 Fe2 Ge4\n1.0\n4.688173 -0.000000 0.000000\n0.000000 4.731466 0.000368\n-0.000000 -0.006772 4.727188\nCr Fe Ge\n2 2 4\ndirect\n0.635058 0.627119 0.892441 Cr\n0.135058 0.372882 0.107560 Cr\n0.365710 0.862293 0.381611 Fe\n0.865710 0.137708 0.618390 Fe\n0.342018 0.337866 0.587087 Ge\n0.842018 0.662135 0.412914 Ge\n0.657213 0.152262 0.096517 Ge\n0.157213 0.847739 0.903484 Ge\n",
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"formula_full": "Cr2 Fe2 Ge4",
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{
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"created_at": "2022-09-04T14:37:55.894912Z",
"updated_at": "2022-09-04T14:37:55.894946Z",
"structure_string": "Cr2 Fe2 Si4\n1.0\n4.504935 0.000000 0.000000\n0.000000 4.548622 0.065709\n-0.000000 -0.003835 4.546328\nCr Fe Si\n2 2 4\ndirect\n0.635716 0.628368 0.894163 Cr\n0.135716 0.371632 0.105838 Cr\n0.363333 0.860370 0.384940 Fe\n0.863333 0.139631 0.615060 Fe\n0.345566 0.335745 0.588723 Si\n0.845567 0.664256 0.411277 Si\n0.655387 0.145134 0.097844 Si\n0.155386 0.854867 0.902157 Si\n",
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{
"id": "jvasp-12013",
"created_at": "2022-09-04T14:36:15.073798Z",
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"structure_string": "Cr2 Ge2 Te6\n1.0\n6.219927 -0.021441 4.944780\n2.373582 5.749265 4.944781\n-0.032169 -0.021443 7.945899\nCr Ge Te\n2 2 6\ndirect\n0.334418 0.334419 0.334418 Cr\n0.665581 0.665583 0.665581 Cr\n0.058848 0.058848 0.058848 Ge\n0.941152 0.941154 0.941152 Ge\n0.919479 0.542220 0.287849 Te\n0.287849 0.919481 0.542219 Te\n0.542219 0.287850 0.919479 Te\n0.080520 0.457782 0.712151 Te\n0.712151 0.080521 0.457781 Te\n0.457781 0.712152 0.080520 Te\n",
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"created_at": "2022-09-04T14:37:27.918893Z",
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"structure_string": "Cr2 Ge4 O12\n1.0\n5.367420 0.079405 1.290025\n1.506298 6.404498 0.766927\n0.193896 0.011751 6.620950\nCr Ge O\n2 4 12\ndirect\n0.750001 0.909961 0.090040 Cr\n0.250001 0.090038 0.909961 Cr\n0.757357 0.387403 0.204661 Ge\n0.742644 0.795339 0.612598 Ge\n0.242644 0.612597 0.795340 Ge\n0.257357 0.204660 0.387403 Ge\n0.626352 0.971133 0.824744 O\n0.873649 0.175256 0.028867 O\n0.749058 0.636672 0.072696 O\n0.750943 0.927304 0.363329 O\n0.250943 0.363328 0.927305 O\n0.567724 0.599896 0.667390 O\n-0.067723 0.332610 0.400104 O\n0.126352 0.824743 0.971134 O\n0.067724 0.667390 0.599896 O\n0.432277 0.400103 0.332610 O\n0.249059 0.072695 0.636673 O\n0.373649 0.028866 0.175257 O\n",
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{
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"structure_string": "Cr2 H12 S2 O14\n1.0\n2.785650 6.664665 -0.305382\n-2.785650 6.664665 0.305382\n0.071321 0.000000 7.461603\nCr H S O\n2 12 2 14\ndirect\n0.865252 0.863709 0.504109 Cr\n0.136292 0.134748 0.004109 Cr\n0.019521 0.186479 0.645894 H\n0.813522 0.980480 0.145894 H\n0.959673 0.434752 0.708114 H\n0.565249 0.040328 0.208114 H\n0.507692 0.877307 0.779159 H\n0.122694 0.492309 0.279160 H\n0.619664 0.711848 0.974724 H\n0.288153 0.380337 0.474724 H\n0.718690 0.444991 0.214295 H\n0.555009 0.281311 0.714295 H\n0.636802 0.415257 0.021581 H\n0.584743 0.363199 0.521581 H\n0.147455 0.620103 0.925037 S\n0.379897 0.852546 0.425038 S\n0.540419 0.576773 0.391869 O\n0.423228 0.459582 0.891869 O\n0.334128 0.996737 0.251328 O\n0.003264 0.665873 0.751327 O\n0.129714 0.967795 0.490057 O\n0.032206 0.870286 0.990056 O\n0.521526 0.874421 0.555961 O\n0.125580 0.478475 0.055961 O\n0.701241 0.035003 0.246904 O\n0.964998 0.298760 0.746904 O\n0.109287 0.505549 0.412084 O\n0.494451 0.890714 0.912084 O\n0.592705 0.232444 0.587382 O\n0.767557 0.407295 0.087382 O\n",
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