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{
"id": "jvasp-110549",
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"structure_string": "Pr1 Zn1 Ag1 P2\n1.0\n4.201200 0.000000 -0.000000\n-2.100600 3.638347 0.000000\n-0.000000 0.000000 6.823341\nPr Zn Ag P\n1 1 1 2\ndirect\n0.000000 0.000000 0.986918 Pr\n0.666667 0.333333 0.373354 Zn\n0.333333 0.666668 0.639258 Ag\n0.333333 0.666668 0.252032 P\n0.666667 0.333333 0.748439 P\n",
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{
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{
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"created_at": "2022-09-04T14:38:28.371306Z",
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"structure_string": "K2 S2 O4 F2\n1.0\n5.600061 0.000000 0.000000\n-0.000000 4.444387 1.320911\n-0.000000 0.029396 6.764850\nK S O F\n2 2 4 2\ndirect\n0.245453 0.347867 0.294461 K\n0.745453 0.652134 0.705539 K\n0.725628 0.955259 0.157173 S\n0.225628 0.044743 0.842827 S\n0.034419 0.165173 0.691171 O\n0.534419 0.834829 0.308829 O\n0.756624 0.283387 0.119419 O\n0.256624 0.716614 0.880581 O\n0.987876 0.823899 0.327868 F\n0.487876 0.176103 0.672132 F\n",
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"formula_full": "K2 S2 O4 F2",
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},
{
"id": "jvasp-105407",
"created_at": "2022-09-04T14:37:14.107352Z",
"updated_at": "2022-09-04T14:37:14.107385Z",
"structure_string": "Sm1 Zn1 Cu1 As2\n1.0\n4.164456 0.000000 0.000000\n-2.082228 3.606525 0.000000\n0.000000 0.000000 6.807666\nSm Zn Cu As\n1 1 1 2\ndirect\n0.333333 0.666666 0.983828 Sm\n0.000000 0.000000 0.371912 Zn\n0.666667 0.333333 0.649420 Cu\n0.666667 0.333333 0.254205 As\n0.000000 0.000000 0.740637 As\n",
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"formula_full": "Sm1 Zn1 Cu1 As2",
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{
"id": "jvasp-108727",
"created_at": "2022-09-04T14:38:27.874461Z",
"updated_at": "2022-09-04T14:38:27.874490Z",
"structure_string": "U1 Mn1 Fe1 Si2\n1.0\n3.710853 0.000000 1.476193\n-0.587236 3.664094 1.476193\n0.004868 0.005710 5.390030\nU Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.500000 Mn\n0.749999 0.250000 0.500000 Fe\n0.368875 0.368875 0.262249 Si\n0.631124 0.631124 0.737751 Si\n",
"nsites": 5,
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{
"id": "jvasp-108765",
"created_at": "2022-09-04T14:38:20.708347Z",
"updated_at": "2022-09-04T14:38:20.708367Z",
"structure_string": "La1 Mn1 Cu1 Ge2\n1.0\n3.944465 -0.019823 -4.587813\n-0.557188 3.904964 -4.587813\n0.017283 0.019823 6.050334\nLa Mn Cu Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.249999 0.749999 0.499999 Mn\n0.750000 0.250000 0.500000 Cu\n0.625188 0.625188 0.000001 Ge\n0.374812 0.374812 0.000001 Ge\n",
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{
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"created_at": "2022-09-04T14:38:27.805732Z",
"updated_at": "2022-09-04T14:38:27.805760Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.008493 4.094948 0.011412\n-4.008493 4.094948 0.011412\n0.000000 0.022759 8.109832\nSr Ta N O\n4 4 4 8\ndirect\n0.992201 0.007016 0.247721 Sr\n0.492988 0.507800 0.252281 Sr\n0.492201 0.507013 0.747718 Sr\n0.992985 0.007800 0.752278 Sr\n0.987267 0.495954 0.492127 Ta\n0.004048 0.512733 0.007869 Ta\n0.487268 0.995953 0.992131 Ta\n0.504046 0.012734 0.507872 Ta\n0.735483 0.264518 0.500000 N\n0.967012 0.532991 0.249998 N\n0.467010 0.032989 0.750001 N\n0.235482 0.764519 -0.000000 N\n0.274765 0.725236 0.500000 O\n0.541829 0.958174 0.249999 O\n0.041826 0.458171 0.750000 O\n0.269846 0.265435 0.037236 O\n0.769841 0.765433 0.537233 O\n0.234567 0.230160 0.462766 O\n0.734566 0.730155 0.962764 O\n0.774772 0.225228 -0.000000 O\n",
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"formula_full": "Sr4 Ta4 N4 O8",
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"spacegroup": 5
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{
"id": "jvasp-57203",
"created_at": "2022-09-04T14:38:19.989023Z",
"updated_at": "2022-09-04T14:38:19.989044Z",
"structure_string": "Ce2 Cr2 S4 O2\n1.0\n3.719706 0.000000 0.000000\n-1.859853 5.596282 0.034615\n0.000000 0.012194 7.921109\nCe Cr S O\n2 2 4 2\ndirect\n0.265784 0.531567 0.789992 Ce\n0.734219 0.468435 0.210010 Ce\n0.000002 0.000003 -0.000001 Cr\n0.499998 0.999994 0.499998 Cr\n0.544905 0.089810 0.800495 S\n0.137740 0.275479 0.466831 S\n0.862256 0.724509 0.533170 S\n0.455098 0.910193 0.199502 S\n0.829513 0.659022 0.936015 O\n0.170492 0.340982 0.063985 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-109365",
"created_at": "2022-09-04T14:38:20.480281Z",
"updated_at": "2022-09-04T14:38:20.480306Z",
"structure_string": "Sm1 Zn1 Ag1 As2\n1.0\n4.293543 -0.000000 0.000000\n-2.146771 3.718318 0.000000\n0.000000 0.000000 6.921149\nSm Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.985545 Sm\n0.666666 0.333334 0.375923 Zn\n0.333333 0.666667 0.635171 Ag\n0.333333 0.666667 0.242976 As\n0.666666 0.333334 0.760385 As\n",
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{
"id": "jvasp-86639",
"created_at": "2022-09-04T14:35:48.310630Z",
"updated_at": "2022-09-04T14:35:48.310660Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019722 0.000000 0.000000\n0.000000 5.268761 -0.998451\n0.000000 -0.001570 7.567430\nLa C N Cl\n2 2 4 2\ndirect\n0.750000 0.175585 0.737088 La\n0.250000 0.824415 0.262912 La\n0.750000 0.347951 0.358902 C\n0.250000 0.652049 0.641098 C\n0.250000 0.431163 0.659356 N\n0.250000 0.876401 0.618975 N\n0.750000 0.123599 0.381025 N\n0.750000 0.568837 0.340644 N\n0.750000 0.744036 0.956182 Cl\n0.250000 0.255964 0.043818 Cl\n",
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"formula_full": "La2 C2 N4 Cl2",
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{
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"created_at": "2022-09-04T14:36:12.787593Z",
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"structure_string": "Pr1 Mn1 Co1 Ge2\n1.0\n3.831998 -0.001506 -4.633066\n-0.497678 3.799543 -4.633066\n0.001322 0.001506 6.012446\nPr Mn Co Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.249999 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Co\n0.628657 0.628656 -0.000002 Ge\n0.371343 0.371342 -0.000001 Ge\n",
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{
"id": "jvasp-100427",
"created_at": "2022-09-04T14:36:47.943911Z",
"updated_at": "2022-09-04T14:36:47.943928Z",
"structure_string": "Bi1 Pb1 I1 O2\n1.0\n3.904522 -0.006344 -6.373370\n-0.315814 3.891734 -6.373370\n0.005860 0.006344 7.474296\nBi Pb I O\n1 1 1 2\ndirect\n0.335408 0.335408 0.000000 Bi\n0.660194 0.660193 0.000000 Pb\n0.991561 0.991560 0.000000 I\n0.756418 0.256418 0.500000 O\n0.256419 0.756417 0.500000 O\n",
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]
}