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{
"id": "jvasp-80025",
"created_at": "2022-09-04T14:36:51.011465Z",
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{
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{
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"structure_string": "Pu2 Fe4\n1.0\n4.347314 0.000000 2.509923\n1.449105 4.098686 2.509923\n0.000000 0.000000 5.019845\nPu Fe\n2 4\ndirect\n0.874998 0.875001 0.874999 Pu\n0.125000 0.125000 0.125000 Pu\n0.499999 0.500000 0.499999 Fe\n0.499999 0.500000 -0.000000 Fe\n-0.000001 0.500000 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n",
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{
"id": "jvasp-15884",
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"updated_at": "2022-09-04T14:38:00.962848Z",
"structure_string": "Sc1 B1 Ir3\n1.0\n4.150873 -0.000000 -0.000000\n0.000000 4.150873 -0.000000\n0.000000 0.000000 4.150873\nSc B Ir\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n",
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"formula_full": "Sc1 B1 Ir3",
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"spacegroup": 221
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{
"id": "jvasp-108817",
"created_at": "2022-09-04T14:38:01.860058Z",
"updated_at": "2022-09-04T14:38:01.860086Z",
"structure_string": "Ti1 Mn1 N2\n1.0\n2.544753 -0.002242 1.392105\n1.140679 0.789561 6.976140\n-0.016765 -0.011604 18.144209\nTi Mn N\n1 1 2\ndirect\n-0.000000 -0.000056 0.500012 Ti\n0.000000 -0.000004 -0.000008 Mn\n0.000000 0.524892 0.570869 N\n0.000000 0.475077 0.429124 N\n",
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{
"id": "jvasp-16611",
"created_at": "2022-09-04T14:37:27.899938Z",
"updated_at": "2022-09-04T14:37:27.899947Z",
"structure_string": "Pu1 Ru1\n1.0\n3.272043 0.000000 0.000000\n0.000000 3.272043 0.000000\n-0.000000 0.000000 3.272043\nPu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ru\n",
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"elements": [
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{
"id": "jvasp-108721",
"created_at": "2022-09-04T14:38:08.120997Z",
"updated_at": "2022-09-04T14:38:08.121032Z",
"structure_string": "V2 B4 Ru2\n1.0\n2.927313 0.000000 0.000000\n0.000000 4.336905 0.000000\n0.000000 0.000000 5.983651\nV B Ru\n2 4 2\ndirect\n0.499999 0.367201 0.318267 V\n0.499999 0.632800 0.818267 V\n-0.000000 0.644762 0.532452 B\n-0.000000 0.355239 0.032452 B\n0.499999 0.852216 0.471184 B\n0.499999 0.147786 0.971183 B\n-0.000000 0.143546 0.678098 Ru\n-0.000000 0.856455 0.178098 Ru\n",
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{
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"created_at": "2022-09-04T14:37:13.363296Z",
"updated_at": "2022-09-04T14:37:13.363324Z",
"structure_string": "V6 Si1 Ge1\n1.0\n4.726322 -0.000000 0.000000\n0.000000 4.726322 0.000000\n0.000000 -0.000000 4.726322\nV Si Ge\n6 1 1\ndirect\n-0.000000 0.500000 0.756386 V\n0.500000 0.243614 -0.000000 V\n0.756386 0.000000 0.500000 V\n-0.000000 0.500000 0.243614 V\n0.500000 0.756386 -0.000000 V\n0.243614 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Ge\n",
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"volume": 105.57714632948111,
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"formula_full": "V6 Si1 Ge1",
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{
"id": "jvasp-15116",
"created_at": "2022-09-04T14:35:55.976487Z",
"updated_at": "2022-09-04T14:35:55.976502Z",
"structure_string": "Ho1 B2 Ru3\n1.0\n2.746330 -4.756783 -0.000000\n2.746330 4.756783 -0.000000\n0.000000 0.000000 3.033817\nHo B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 6,
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"formula_full": "Ho1 B2 Ru3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 191
},
{
"id": "jvasp-15138",
"created_at": "2022-09-04T14:36:41.240591Z",
"updated_at": "2022-09-04T14:36:41.240612Z",
"structure_string": "Dy1 B2 Ru3\n1.0\n2.749910 -4.762982 -0.000000\n2.749910 4.762982 -0.000000\n-0.000000 0.000000 3.036269\nDy B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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},
{
"id": "jvasp-59648",
"created_at": "2022-09-04T14:37:03.151187Z",
"updated_at": "2022-09-04T14:37:03.151217Z",
"structure_string": "Mn12 Si4 Ir4\n1.0\n6.350925 0.000000 0.000000\n0.000000 6.350925 0.000000\n-0.000000 -0.000000 6.350925\nMn Si Ir\n12 4 4\ndirect\n0.549415 0.630461 0.289289 Mn\n0.950586 0.369540 0.789289 Mn\n0.210711 0.450585 0.130461 Mn\n0.289289 0.549415 0.630461 Mn\n0.369540 0.789289 0.950586 Mn\n0.130461 0.210711 0.450585 Mn\n0.450585 0.130461 0.210711 Mn\n0.710712 0.049415 0.869540 Mn\n0.869540 0.710712 0.049415 Mn\n0.049415 0.869540 0.710712 Mn\n0.789289 0.950586 0.369540 Mn\n0.630461 0.289289 0.549415 Mn\n0.942471 0.557530 0.442471 Si\n0.557530 0.442471 0.942471 Si\n0.442471 0.942471 0.557530 Si\n0.057530 0.057530 0.057530 Si\n0.812463 0.312462 0.187538 Ir\n0.312462 0.187538 0.812463 Ir\n0.187538 0.812463 0.312462 Ir\n0.687539 0.687539 0.687539 Ir\n",
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{
"id": "jvasp-112109",
"created_at": "2022-09-04T14:38:44.217610Z",
"updated_at": "2022-09-04T14:38:44.217626Z",
"structure_string": "Ca1 H8 C6 O4\n1.0\n3.703109 -0.078384 -0.290223\n-1.216310 4.492611 -0.099280\n0.086013 -0.046105 10.105497\nCa H C O\n1 8 6 4\ndirect\n0.011981 0.039604 0.213033 Ca\n0.266471 0.844103 0.852331 H\n0.728100 0.867630 0.906163 H\n0.168034 0.310476 0.761832 H\n0.638002 0.337670 0.814045 H\n0.757849 0.235222 0.573764 H\n0.296141 0.211542 0.519975 H\n0.386216 0.741592 0.612040 H\n0.856183 0.768790 0.664253 H\n0.449266 0.705683 0.886088 C\n0.450339 0.469512 0.778391 C\n0.573875 0.609755 0.647699 C\n0.712474 0.492523 0.408834 C\n0.311567 0.586672 0.017240 C\n0.574942 0.373555 0.540013 C\n0.399439 0.774650 0.119632 O\n0.912311 0.758444 0.403236 O\n0.111703 0.320746 0.022814 O\n0.624495 0.304516 0.306451 O\n",
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