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{
"id": "jvasp-15209",
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{
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{
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"updated_at": "2022-09-04T14:36:48.830504Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.581190 -2.738702 0.000000\n1.581190 2.738702 0.000000\n0.000000 0.000000 4.685848\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.431302 H\n0.333333 0.666667 0.568699 H\n0.666667 0.333333 0.223476 O\n0.333333 0.666667 0.776524 O\n",
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"spacegroup": 164
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{
"id": "jvasp-102622",
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"updated_at": "2022-09-04T14:36:50.301418Z",
"structure_string": "Nd4 Ge4 Ru2\n1.0\n5.328305 -0.004342 2.763368\n3.558079 3.966223 2.763368\n-0.007386 -0.003293 10.624468\nNd Ge Ru\n4 4 2\ndirect\n0.003835 0.003835 0.325988 Nd\n-0.003836 -0.003835 0.674012 Nd\n0.815132 0.815132 0.108552 Nd\n0.184867 0.184868 0.891449 Nd\n0.654473 0.654474 0.431558 Ge\n0.345526 0.345527 0.568443 Ge\n0.505848 0.505849 0.127784 Ge\n0.494150 0.494152 0.872217 Ge\n0.723957 0.723958 0.624038 Ru\n0.276042 0.276042 0.375963 Ru\n",
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"density": 7.901682996157799,
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"volume": 224.79078231252507,
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"formula_full": "Nd4 Ge4 Ru2",
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"spacegroup": 12
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{
"id": "jvasp-8341",
"created_at": "2022-09-04T14:36:49.971864Z",
"updated_at": "2022-09-04T14:36:49.971896Z",
"structure_string": "Zn1 Sn2 N2\n1.0\n3.382296 -0.043614 0.150166\n-0.041003 3.382594 0.147126\n0.365966 0.373376 7.710577\nZn Sn N\n1 2 2\ndirect\n0.014124 0.985890 0.750005 Zn\n0.357573 0.411025 0.066913 Sn\n0.588845 0.642573 0.433086 Sn\n0.051327 0.511918 0.597424 N\n0.488137 0.948593 0.902575 N\n",
"nsites": 5,
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"volume": 87.82607422007555,
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"spacegroup": 5
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{
"id": "jvasp-8507",
"created_at": "2022-09-04T14:36:50.200631Z",
"updated_at": "2022-09-04T14:36:50.200662Z",
"structure_string": "Ce1 Ni2 Sn2\n1.0\n4.116523 0.000000 -1.652757\n-0.663571 4.062688 -1.652757\n0.043178 0.050802 6.060433\nCe Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.636345 0.636345 0.272688 Sn\n0.363656 0.363655 0.727311 Sn\n",
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},
{
"id": "jvasp-105571",
"created_at": "2022-09-04T14:36:44.686162Z",
"updated_at": "2022-09-04T14:36:44.686183Z",
"structure_string": "Ba2 Sr1 N2\n1.0\n3.902485 -0.000032 -0.000007\n-1.951260 3.380060 -0.000168\n-0.000114 -0.000602 10.171429\nBa Sr N\n2 1 2\ndirect\n0.666649 0.333300 0.205455 Ba\n0.333353 0.666701 0.794545 Ba\n0.000001 0.000000 0.500000 Sr\n0.666610 0.333241 0.664043 N\n0.333393 0.666760 0.335957 N\n",
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"formula_full": "Ba2 Sr1 N2",
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"spacegroup": 164
},
{
"id": "jvasp-15241",
"created_at": "2022-09-04T14:36:40.189044Z",
"updated_at": "2022-09-04T14:36:40.189059Z",
"structure_string": "Sc1 Si2 Ni2\n1.0\n3.592747 0.000000 -1.326617\n-0.489851 3.559196 -1.326617\n-0.005289 -0.006066 5.513929\nSc Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.621206 0.621205 0.242409 Si\n0.378795 0.378795 0.757590 Si\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n",
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"formula_full": "Sc1 Si2 Ni2",
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},
{
"id": "jvasp-15091",
"created_at": "2022-09-04T14:36:40.198924Z",
"updated_at": "2022-09-04T14:36:40.198960Z",
"structure_string": "Nd1 Si2 Cu2\n1.0\n3.836282 0.000000 -1.453573\n-0.550761 3.796540 -1.453573\n-0.005830 -0.006736 5.773774\nNd Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.620937 0.620937 0.241875 Si\n0.379062 0.379062 0.758125 Si\n0.750000 0.249999 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n",
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{
"id": "jvasp-104634",
"created_at": "2022-09-04T14:36:50.577510Z",
"updated_at": "2022-09-04T14:36:50.577529Z",
"structure_string": "Nd4 Mg2 Si4\n1.0\n7.364960 -0.000000 0.000000\n0.000000 7.364960 0.000000\n-0.000000 -0.000000 4.376877\nNd Mg Si\n4 2 4\ndirect\n0.680098 0.180098 0.500000 Nd\n0.319903 0.819903 0.500000 Nd\n0.180098 0.319903 0.500000 Nd\n0.819903 0.680098 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115792 0.615792 -0.000000 Si\n0.884208 0.384208 -0.000000 Si\n0.615792 0.884208 -0.000000 Si\n0.384208 0.115792 -0.000000 Si\n",
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"volume": 237.41334505939963,
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"formula_full": "Nd4 Mg2 Si4",
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{
"id": "jvasp-15369",
"created_at": "2022-09-04T14:36:50.726924Z",
"updated_at": "2022-09-04T14:36:50.726944Z",
"structure_string": "Sr1 As2 Pd2\n1.0\n4.126858 0.000000 -1.632529\n-0.645806 4.076015 -1.632529\n0.010914 0.012779 6.059983\nSr As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.624731 0.624732 0.249463 As\n0.375268 0.375269 0.750536 As\n0.249999 0.750001 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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{
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"created_at": "2022-09-04T14:36:50.283026Z",
"updated_at": "2022-09-04T14:36:50.283056Z",
"structure_string": "Er1 Si2 Pd2\n1.0\n3.875181 0.000000 -1.479842\n-0.565117 3.833753 -1.479842\n-0.016207 -0.018771 5.771343\nEr Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.616296 0.616297 0.232593 Si\n0.383702 0.383703 0.767406 Si\n0.749999 0.250000 0.500000 Pd\n0.249999 0.749999 0.500000 Pd\n",
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}
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