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{
"id": "jvasp-110228",
"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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{
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"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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{
"id": "jvasp-110202",
"created_at": "2022-09-04T14:38:18.940279Z",
"updated_at": "2022-09-04T14:38:18.940299Z",
"structure_string": "Na1 Li1 Zn1 S2\n1.0\n3.963253 0.000000 0.000000\n-1.981627 3.432278 0.000000\n-0.000000 -0.000000 6.753303\nNa Li Zn S\n1 1 1 2\ndirect\n0.666666 0.333334 0.023810 Na\n0.000000 0.000000 0.354749 Li\n0.333333 0.666667 0.613423 Zn\n0.000000 0.000000 0.739073 S\n0.333333 0.666667 0.268945 S\n",
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"formula_full": "Na1 Li1 Zn1 S2",
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"spacegroup": 156
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{
"id": "jvasp-42223",
"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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"elements": [
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"volume": 266.236734267347,
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"formula_full": "Sr4 Ta4 N4 O8",
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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",
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{
"id": "jvasp-109170",
"created_at": "2022-09-04T14:38:19.378559Z",
"updated_at": "2022-09-04T14:38:19.378588Z",
"structure_string": "La1 Ni2 Ge1 P1\n1.0\n3.818466 -0.014554 -4.237142\n-0.574085 3.775092 -4.237142\n0.012556 0.014554 5.703850\nLa Ni Ge P\n1 2 1 1\ndirect\n0.003294 0.003294 0.000000 La\n0.744902 0.244901 0.500001 Ni\n0.244901 0.744900 0.500000 Ni\n0.369808 0.369808 0.000000 Ge\n0.637098 0.637098 0.000001 P\n",
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{
"id": "jvasp-56550",
"created_at": "2022-09-04T14:38:18.796537Z",
"updated_at": "2022-09-04T14:38:18.796551Z",
"structure_string": "Dy2 Si2 Ru4 C2\n1.0\n3.802499 0.000000 0.000000\n-1.901249 5.579241 -0.000000\n0.000000 -0.000000 7.143270\nDy Si Ru C\n2 2 4 2\ndirect\n0.047246 0.094490 0.750000 Dy\n0.952755 0.905510 0.250000 Dy\n0.230855 0.461709 0.250000 Si\n0.769145 0.538291 0.750000 Si\n0.336278 0.672556 0.943782 Ru\n0.336278 0.672556 0.556218 Ru\n0.663722 0.327444 0.056218 Ru\n0.663722 0.327444 0.443782 Ru\n0.500000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
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"formula_full": "Dy2 Si2 Ru4 C2",
"formula_reduced": "DySiRu2C",
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{
"id": "jvasp-108763",
"created_at": "2022-09-04T14:38:19.187213Z",
"updated_at": "2022-09-04T14:38:19.187246Z",
"structure_string": "La2 Ge4 Pd2 Rh2\n1.0\n4.302417 -0.000000 0.000000\n0.000000 4.302417 0.000000\n-0.000000 -0.000000 10.430651\nLa Ge Pd Rh\n2 4 2 2\ndirect\n-0.000000 0.500000 0.252015 La\n0.500000 0.000000 0.747985 La\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n-0.000000 0.500000 0.876602 Ge\n0.500000 0.000000 0.123398 Ge\n-0.000000 0.500000 0.634837 Pd\n0.500000 0.000000 0.365163 Pd\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 -0.000000 Rh\n",
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"elements": [
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],
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"density": 8.488666814880885,
"density_atomic": 0.051792107520547616,
"volume": 193.07961152252153,
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"formula_full": "La2 Ge4 Pd2 Rh2",
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"formula_anonymous": "ABCD2",
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{
"id": "jvasp-85684",
"created_at": "2022-09-04T14:35:41.713703Z",
"updated_at": "2022-09-04T14:35:41.713736Z",
"structure_string": "Hg2 H4 N2 Cl2\n1.0\n6.841971 0.000000 0.000000\n0.000000 4.404313 0.000000\n0.000000 0.000000 5.095614\nHg H N Cl\n2 4 2 2\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.250000 0.811505 0.362282 H\n0.750000 0.811505 0.637717 H\n0.750000 0.188494 0.637717 H\n0.250000 0.188494 0.362282 H\n0.250000 0.000000 0.240176 N\n0.750000 0.000000 0.759823 N\n0.250000 0.500000 0.715735 Cl\n0.750000 0.500000 0.284264 Cl\n",
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"formula_full": "Hg2 H4 N2 Cl2",
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"spacegroup": 51
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{
"id": "jvasp-86040",
"created_at": "2022-09-04T14:35:42.994374Z",
"updated_at": "2022-09-04T14:35:42.994394Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019727 0.000000 0.000000\n0.000000 5.268986 -0.998042\n0.000000 -0.000889 7.567791\nLa C N Cl\n2 2 4 2\ndirect\n0.750001 0.175295 0.737057 La\n0.250000 0.824706 0.262943 La\n0.750001 0.348100 0.358924 C\n0.250000 0.651901 0.641076 C\n0.250000 0.431030 0.659352 N\n0.250000 0.876263 0.618955 N\n0.750001 0.123737 0.381045 N\n0.750001 0.568970 0.340648 N\n0.750001 0.744022 0.956204 Cl\n0.250000 0.255979 0.043797 Cl\n",
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"formula_full": "La2 C2 N4 Cl2",
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"spacegroup": 11
},
{
"id": "jvasp-86286",
"created_at": "2022-09-04T14:35:49.144325Z",
"updated_at": "2022-09-04T14:35:49.144344Z",
"structure_string": "Ho2 Si2 Ru4 C2\n1.0\n3.784122 0.000000 -0.000000\n-1.892061 5.584228 -0.000000\n0.000000 -0.000000 7.133756\nHo Si Ru C\n2 2 4 2\ndirect\n0.953220 0.906442 0.250000 Ho\n0.046779 0.093560 0.750000 Ho\n0.231256 0.462511 0.250000 Si\n0.768744 0.537490 0.750000 Si\n0.663509 0.327018 0.444130 Ru\n0.336491 0.672982 0.944130 Ru\n0.336491 0.672982 0.555870 Ru\n0.663509 0.327018 0.055870 Ru\n0.500000 -0.000000 0.500000 C\n0.500000 -0.000000 0.000000 C\n",
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{
"id": "jvasp-86140",
"created_at": "2022-09-04T14:35:43.658138Z",
"updated_at": "2022-09-04T14:35:43.658167Z",
"structure_string": "Dy2 Fe4 Si2 C2\n1.0\n3.742695 0.000000 0.000000\n-1.871347 5.230214 0.000000\n0.000000 -0.000000 6.725870\nDy Fe Si C\n2 4 2 2\ndirect\n0.949225 0.898454 0.250000 Dy\n0.050773 0.101545 0.750000 Dy\n0.664924 0.329851 0.062073 Fe\n0.335074 0.670148 0.562073 Fe\n0.664924 0.329851 0.437927 Fe\n0.335074 0.670148 0.937927 Fe\n0.229321 0.458644 0.250000 Si\n0.770676 0.541355 0.750000 Si\n0.499999 0.000000 0.000000 C\n0.499999 0.000000 0.500000 C\n",
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"formula_full": "Dy2 Fe4 Si2 C2",
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}