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{
"id": "jvasp-2379",
"created_at": "2022-09-04T14:36:56.247136Z",
"updated_at": "2022-09-04T14:36:56.247151Z",
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{
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"structure_string": "Nd1 Si2 Pd2\n1.0\n3.961575 0.000000 -1.549322\n-0.605920 3.914963 -1.549322\n-0.005235 -0.006107 5.826096\nNd Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.619724 0.619724 0.239451 Si\n0.380276 0.380274 0.760550 Si\n0.750000 0.249999 0.500000 Pd\n0.250000 0.749999 0.500000 Pd\n",
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{
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"structure_string": "Sr3 P6 Ir6\n1.0\n3.392870 -5.876624 0.000000\n3.392870 5.876624 -0.000000\n0.000000 -0.000000 7.175632\nSr P Ir\n3 6 6\ndirect\n0.000000 0.398379 0.333333 Sr\n0.398379 0.000000 0.666667 Sr\n0.601621 0.601621 0.000000 Sr\n0.876279 0.660081 0.623532 P\n0.216198 0.339919 0.709801 P\n0.123721 0.783801 0.043134 P\n0.783801 0.123721 0.956866 P\n0.339919 0.216198 0.290199 P\n0.660081 0.876279 0.376468 P\n0.869835 0.000000 0.666667 Ir\n0.130164 0.130164 0.000000 Ir\n0.492035 0.000000 0.166667 Ir\n0.000000 0.492035 0.833333 Ir\n0.507965 0.507965 0.500000 Ir\n0.000000 0.869835 0.333333 Ir\n",
"nsites": 15,
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"elements": [
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"density": 9.296673331892881,
"density_atomic": 0.05242108206393868,
"volume": 286.1444176544144,
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"formula_full": "Sr3 P6 Ir6",
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"formula_anonymous": "AB2C2",
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"spacegroup": 154
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{
"id": "jvasp-15378",
"created_at": "2022-09-04T14:36:56.291989Z",
"updated_at": "2022-09-04T14:36:56.292011Z",
"structure_string": "Ho1 Co2 Ge2\n1.0\n3.709519 -0.000000 -1.361131\n-0.499439 3.675743 -1.361131\n0.006996 0.008010 5.754443\nHo Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250000 0.749999 0.500000 Co\n0.750001 0.250000 0.500000 Co\n0.627519 0.627518 0.255038 Ge\n0.372483 0.372481 0.744962 Ge\n",
"nsites": 5,
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"elements": [
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"formula_full": "Ho1 Co2 Ge2",
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"spacegroup": 139
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{
"id": "jvasp-54769",
"created_at": "2022-09-04T14:37:02.155278Z",
"updated_at": "2022-09-04T14:37:02.155290Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.693731 -2.933627 -0.000000\n1.693731 2.933627 0.000000\n0.000000 0.000000 4.484293\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.967883 Mg\n0.333333 0.666667 0.021668 H\n0.666667 0.333333 0.423649 H\n0.333333 0.666667 0.800396 O\n0.666667 0.333333 0.205867 O\n",
"nsites": 5,
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{
"id": "jvasp-15330",
"created_at": "2022-09-04T14:36:48.941222Z",
"updated_at": "2022-09-04T14:36:48.941239Z",
"structure_string": "Dy1 Si2 Ru2\n1.0\n3.890908 -0.000000 -1.554629\n-0.621158 3.841006 -1.554629\n-0.009514 -0.011177 5.622563\nDy Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.631099 0.631099 0.262197 Si\n0.368902 0.368901 0.737803 Si\n0.750001 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
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"formula_full": "Dy1 Si2 Ru2",
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{
"id": "jvasp-15586",
"created_at": "2022-09-04T14:36:49.967298Z",
"updated_at": "2022-09-04T14:36:49.967320Z",
"structure_string": "Ca1 Mn2 As2\n1.0\n1.987726 -3.442843 -0.000000\n1.987726 3.442843 0.000000\n-0.000000 -0.000000 6.977058\nCa Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.385178 Mn\n0.666668 0.333334 0.614822 Mn\n0.666668 0.333334 0.269000 As\n0.333334 0.666668 0.731000 As\n",
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"formula_full": "Ca1 Mn2 As2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
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{
"id": "jvasp-2760",
"created_at": "2022-09-04T14:36:56.860225Z",
"updated_at": "2022-09-04T14:36:56.860254Z",
"structure_string": "Ba1 Cd2 P2\n1.0\n2.226951 -3.857192 0.000000\n2.226951 3.857192 0.000000\n0.000000 0.000000 7.594890\nBa Cd P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.632128 Cd\n0.666667 0.333333 0.367872 Cd\n0.333333 0.666667 0.264947 P\n0.666667 0.333333 0.735053 P\n",
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"formula_full": "Ba1 Cd2 P2",
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{
"id": "jvasp-15517",
"created_at": "2022-09-04T14:36:49.015699Z",
"updated_at": "2022-09-04T14:36:49.015739Z",
"structure_string": "Y1 Ni2 Ge2\n1.0\n3.799259 0.000000 -1.453617\n-0.556162 3.758331 -1.453617\n-0.002164 -0.002508 5.686138\nY Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.750001 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n0.628717 0.628717 0.257433 Ge\n0.371284 0.371283 0.742566 Ge\n",
"nsites": 5,
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},
{
"id": "jvasp-15473",
"created_at": "2022-09-04T14:36:57.636221Z",
"updated_at": "2022-09-04T14:36:57.636246Z",
"structure_string": "Tm1 Si2 Cu2\n1.0\n3.713134 0.000000 -1.357565\n-0.496341 3.679811 -1.357565\n-0.009360 -0.010707 5.731161\nTm Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.616562 0.616563 0.233128 Si\n0.383436 0.383436 0.766873 Si\n0.749999 0.250000 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n",
"nsites": 5,
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{
"id": "jvasp-104649",
"created_at": "2022-09-04T14:36:56.849904Z",
"updated_at": "2022-09-04T14:36:56.849934Z",
"structure_string": "Pr4 Cd2 Au4\n1.0\n8.136595 -0.000000 0.000000\n0.000000 8.136595 0.000000\n-0.000000 -0.000000 3.928769\nPr Cd Au\n4 2 4\ndirect\n0.671823 0.171822 0.500000 Pr\n0.328178 0.828178 0.500000 Pr\n0.171822 0.328178 0.500000 Pr\n0.828178 0.671823 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.128161 0.628161 -0.000000 Au\n0.871840 0.371839 -0.000000 Au\n0.628161 0.871840 -0.000000 Au\n0.371839 0.128161 -0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:36:57.663480Z",
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"structure_string": "Tb1 Si2 Ag2\n1.0\n3.925703 -0.000000 -1.406225\n-0.503724 3.893251 -1.406225\n-0.019093 -0.021723 6.129425\nTb Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.607023 0.607023 0.214048 Si\n0.392978 0.392977 0.785953 Si\n0.250001 0.750000 0.500001 Ag\n0.750000 0.250000 0.500000 Ag\n",
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