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{
"id": "jvasp-120278",
"created_at": "2022-09-04T14:38:46.761164Z",
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"structure_string": "Li2 Al1 N2\n1.0\n3.036284 -0.000000 0.000000\n-1.518142 2.629499 0.000000\n0.000000 -0.000000 5.331078\nLi Al N\n2 1 2\ndirect\n0.666666 0.333333 0.366021 Li\n0.333333 0.666666 0.633979 Li\n0.000000 0.000000 0.000000 Al\n0.666666 0.333333 0.793136 N\n0.333333 0.666666 0.206864 N\n",
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{
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"structure_string": "Ag8 Hg4 O8\n1.0\n6.270466 0.000000 0.000000\n0.000000 6.270466 0.000000\n0.000000 0.000000 8.435795\nAg Hg O\n8 4 8\ndirect\n0.499453 0.745473 0.628401 Ag\n0.999453 0.754528 0.621598 Ag\n0.245473 0.000547 0.878401 Ag\n0.754528 0.999453 0.378401 Ag\n0.254527 0.500547 0.871598 Ag\n0.000547 0.245473 0.121599 Ag\n0.500547 0.254527 0.128401 Ag\n0.745473 0.499453 0.371598 Ag\n0.789642 0.789642 0.000000 Hg\n0.710359 0.289642 0.750000 Hg\n0.289642 0.710359 0.250000 Hg\n0.210359 0.210359 0.500000 Hg\n0.249536 0.623154 0.486221 O\n0.750465 0.376846 0.986220 O\n0.623154 0.249536 0.513779 O\n0.123154 0.250464 0.736221 O\n0.749536 0.876847 0.763779 O\n0.376846 0.750465 0.013779 O\n0.876847 0.749536 0.236221 O\n0.250464 0.123154 0.263779 O\n",
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{
"id": "jvasp-16732",
"created_at": "2022-09-04T14:38:30.663171Z",
"updated_at": "2022-09-04T14:38:30.663198Z",
"structure_string": "Sm1 Si2 Ir2\n1.0\n3.853772 -0.000000 -1.448635\n-0.544542 3.815106 -1.448635\n-0.010563 -0.012178 5.822269\nSm Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.622676 0.622676 0.245352 Si\n0.377325 0.377324 0.754650 Si\n0.750000 0.250000 0.500001 Ir\n0.250001 0.750000 0.500001 Ir\n",
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"volume": 85.46622215347875,
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"formula_full": "Sm1 Si2 Ir2",
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"energy_above_hull": 3.425211655,
"spacegroup": 139
},
{
"id": "jvasp-113687",
"created_at": "2022-09-04T14:38:46.811070Z",
"updated_at": "2022-09-04T14:38:46.811094Z",
"structure_string": "Al2 S1 O2\n1.0\n3.094106 0.000000 0.000000\n-1.547053 2.679575 0.000000\n-0.000000 -0.000000 6.946680\nAl S O\n2 1 2\ndirect\n0.666669 0.333333 0.251778 Al\n0.333335 0.666666 0.748222 Al\n0.000000 0.000000 0.000000 S\n0.333335 0.666666 0.337958 O\n0.666669 0.333333 0.662042 O\n",
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"elements": [
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],
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"volume": 57.59415338864046,
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"formula_full": "Al2 S1 O2",
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"spacegroup": 164
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{
"id": "jvasp-118936",
"created_at": "2022-09-04T14:38:30.618737Z",
"updated_at": "2022-09-04T14:38:30.618757Z",
"structure_string": "Li1 Au2 S2\n1.0\n4.127766 0.000000 0.000000\n-2.063883 3.574750 0.000000\n-0.000000 -0.000000 7.025545\nLi Au S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333335 0.666667 0.277818 Au\n0.666669 0.333334 0.722182 Au\n0.333335 0.666667 0.758688 S\n0.666669 0.333334 0.241312 S\n",
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"density": 7.448437036339015,
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{
"id": "jvasp-54944",
"created_at": "2022-09-04T14:38:33.221110Z",
"updated_at": "2022-09-04T14:38:33.221141Z",
"structure_string": "Ba2 As4 Pd4\n1.0\n4.455201 -0.000000 -0.946644\n-0.201144 4.450657 -0.946644\n-0.007120 -0.007449 10.923590\nBa As Pd\n2 4 4\ndirect\n0.623400 0.623400 0.246799 Ba\n0.376601 0.376600 0.753202 Ba\n0.250001 0.750000 0.500000 As\n0.932358 0.932358 0.864715 As\n0.067643 0.067643 0.135285 As\n0.750000 0.250000 0.500000 As\n0.500000 0.000000 0.000000 Pd\n0.193454 0.193454 0.386907 Pd\n0.000000 0.500000 0.000000 Pd\n0.806547 0.806547 0.613094 Pd\n",
"nsites": 10,
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"elements": [
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"density": 7.668795179940492,
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"volume": 216.536353186296,
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{
"id": "jvasp-30988",
"created_at": "2022-09-04T14:38:33.268985Z",
"updated_at": "2022-09-04T14:38:33.269000Z",
"structure_string": "Er4 Pd4 Pb2\n1.0\n7.836469 -0.000000 0.000000\n-0.000000 7.836469 0.000000\n-0.000000 0.000000 3.581748\nEr Pd Pb\n4 4 2\ndirect\n0.670145 0.170145 0.500000 Er\n0.170145 0.329855 0.500000 Er\n0.829855 0.670145 0.500000 Er\n0.329855 0.829855 0.500000 Er\n0.373983 0.126017 0.000000 Pd\n0.126017 0.626017 0.000000 Pd\n0.626017 0.873983 0.000000 Pd\n0.873983 0.373983 0.000000 Pd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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"spacegroup": 127
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{
"id": "jvasp-16717",
"created_at": "2022-09-04T14:38:33.208682Z",
"updated_at": "2022-09-04T14:38:33.208695Z",
"structure_string": "Tb1 Fe2 B2\n1.0\n3.416724 0.000000 -1.197211\n-0.419500 3.390873 -1.197211\n-0.043236 -0.048915 5.350712\nTb Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.249999 0.750000 0.500000 Fe\n0.749999 0.250000 0.500000 Fe\n0.660753 0.660754 0.321507 B\n0.339245 0.339247 0.678493 B\n",
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{
"id": "jvasp-116348",
"created_at": "2022-09-04T14:38:42.094292Z",
"updated_at": "2022-09-04T14:38:42.094324Z",
"structure_string": "Ti2 Zn1 N2\n1.0\n3.116180 0.000000 0.000000\n0.000000 3.116180 0.000000\n-0.000000 0.000000 7.628047\nTi Zn N\n2 1 2\ndirect\n0.500000 0.500000 0.187565 Ti\n0.500000 0.500000 0.812435 Ti\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.670332 N\n0.500000 0.000000 0.329668 N\n",
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},
{
"id": "jvasp-56374",
"created_at": "2022-09-04T14:38:33.406870Z",
"updated_at": "2022-09-04T14:38:33.406896Z",
"structure_string": "Nd1 Ni2 P2\n1.0\n3.706712 -0.000000 -1.425633\n-0.548311 3.665934 -1.425633\n0.007223 0.008384 5.550410\nNd Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.749999 0.249999 0.500000 Ni\n0.249999 0.749999 0.500000 Ni\n0.371486 0.371485 0.742973 P\n0.628513 0.628512 0.257027 P\n",
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{
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"structure_string": "Mn1 H2 O2\n1.0\n3.330078 -0.009640 0.060488\n-1.652964 2.882926 -0.211295\n-0.083577 0.287782 4.612328\nMn H O\n1 2 2\ndirect\n0.087723 0.012407 0.977932 Mn\n0.420960 0.679222 0.534584 H\n0.754547 0.346062 0.421255 H\n0.420868 0.678779 0.746002 O\n0.754542 0.346052 0.209837 O\n",
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"spacegroup": 164
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{
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"created_at": "2022-09-04T14:38:36.539069Z",
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"structure_string": "Sr1 Si2 Pt2\n1.0\n4.040378 -0.024372 -4.373411\n-0.636114 3.990064 -4.373411\n0.020921 0.024372 5.954069\nSr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250001 0.749999 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.640188 0.640187 0.000001 Pt\n0.359813 0.359812 0.000000 Pt\n",
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