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{
"id": "jvasp-16238",
"created_at": "2022-09-04T14:37:50.630539Z",
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{
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"structure_string": "Mg2 C4 N4\n1.0\n6.184686 0.000000 0.000000\n-0.000000 6.215593 0.000000\n-0.000000 0.000000 6.215593\nMg C N\n2 4 4\ndirect\n0.245939 0.250000 0.250000 Mg\n0.745940 0.750000 0.750000 Mg\n0.446946 0.047651 0.047651 C\n0.446946 0.452349 0.452349 C\n0.946946 0.547651 0.952349 C\n0.946946 0.952349 0.547651 C\n0.055085 0.060880 0.439120 N\n0.055085 0.439120 0.060880 N\n0.555085 0.560879 0.560879 N\n0.555085 0.939120 0.939120 N\n",
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{
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"updated_at": "2022-09-04T14:37:45.751324Z",
"structure_string": "Mg1 Be2 As2\n1.0\n1.896206 -3.284325 -0.000000\n1.896206 3.284325 0.000000\n0.000000 0.000000 6.447354\nMg Be As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.374959 Be\n0.333334 0.666668 0.625040 Be\n0.333334 0.666668 0.263735 As\n0.666668 0.333334 0.736265 As\n",
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"volume": 80.30510505642313,
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"formula_full": "Mg1 Be2 As2",
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{
"id": "jvasp-56275",
"created_at": "2022-09-04T14:37:50.225244Z",
"updated_at": "2022-09-04T14:37:50.225266Z",
"structure_string": "Sm1 Al2 Zn2\n1.0\n3.917376 -0.000919 -1.388745\n-0.493279 3.886192 -1.388741\n0.003832 0.004354 6.229767\nSm Al Zn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250042 0.749957 0.500000 Al\n0.749958 0.250041 0.500000 Al\n0.610110 0.610108 0.220321 Zn\n0.389890 0.389890 0.779679 Zn\n",
"nsites": 5,
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"elements": [
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"volume": 94.88448103496478,
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"spacegroup": 139
},
{
"id": "jvasp-5335",
"created_at": "2022-09-04T14:37:40.954296Z",
"updated_at": "2022-09-04T14:37:40.954315Z",
"structure_string": "Nb2 Se4 Cl4\n1.0\n6.390026 0.004031 -0.017136\n3.193243 5.771001 -0.083699\n2.701606 1.878949 6.519646\nNb Se Cl\n2 4 4\ndirect\n0.871440 0.258677 0.000107 Nb\n0.128560 0.741323 -0.000108 Nb\n0.913549 0.894898 0.335948 Se\n0.086451 0.105102 0.664052 Se\n0.730799 0.046557 0.853073 Se\n0.269202 0.953443 0.146926 Se\n0.839367 0.513656 0.218271 Cl\n0.160634 0.486344 0.781728 Cl\n0.422762 0.353019 0.219448 Cl\n0.577239 0.646981 0.780552 Cl\n",
"nsites": 10,
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"elements": [
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"density": 4.42426929983008,
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"volume": 241.50843891926516,
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"formula_reduced": "Nb(SeCl)2",
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{
"id": "jvasp-16274",
"created_at": "2022-09-04T14:37:41.368869Z",
"updated_at": "2022-09-04T14:37:41.368899Z",
"structure_string": "Yb1 Si2 Rh2\n1.0\n3.835644 0.000000 -1.447395\n-0.546180 3.796558 -1.447395\n-0.026972 -0.031130 5.734515\nYb Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.625204 0.625205 0.250410 Si\n0.374796 0.374796 0.749590 Si\n0.749999 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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"volume": 83.16176391330936,
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"formula_full": "Yb1 Si2 Rh2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "jvasp-56801",
"created_at": "2022-09-04T14:37:40.831554Z",
"updated_at": "2022-09-04T14:37:40.831572Z",
"structure_string": "Yb1 Ge2 Rh2\n1.0\n3.888914 -0.000000 -1.455420\n-0.544688 3.850581 -1.455420\n0.005438 0.006262 5.937876\nYb Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.375932 0.375932 0.751865 Ge\n0.624066 0.624067 0.248135 Ge\n0.249999 0.750000 0.500000 Rh\n0.749999 0.250000 0.500000 Rh\n",
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"formula_full": "Yb1 Ge2 Rh2",
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"spacegroup": 139
},
{
"id": "jvasp-98186",
"created_at": "2022-09-04T14:37:40.823862Z",
"updated_at": "2022-09-04T14:37:40.823885Z",
"structure_string": "La1 Si2 Au2\n1.0\n4.111011 -0.000000 -1.611287\n-0.631535 4.062213 -1.611287\n-0.020690 -0.024155 5.997239\nLa Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.615229 0.615228 0.230456 Si\n0.384772 0.384772 0.769544 Si\n0.250001 0.750000 0.500000 Au\n0.750000 0.250000 0.500000 Au\n",
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"elements": [
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"volume": 99.83269875645894,
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"formula_full": "La1 Si2 Au2",
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},
{
"id": "jvasp-56523",
"created_at": "2022-09-04T14:37:34.023764Z",
"updated_at": "2022-09-04T14:37:34.023794Z",
"structure_string": "Ba4 Al8 Ge8\n1.0\n4.315003 0.000000 0.000000\n-0.000000 10.288694 0.000000\n0.000000 0.000000 11.079972\nBa Al Ge\n4 8 8\ndirect\n0.749999 0.251704 0.675316 Ba\n0.749999 0.751704 0.824684 Ba\n0.250000 0.748295 0.324684 Ba\n0.250000 0.248295 0.175316 Ba\n0.250000 0.101072 0.452799 Al\n0.749999 0.957457 0.118663 Al\n0.250000 0.601071 0.047201 Al\n0.250000 0.542543 0.618663 Al\n0.749999 0.457457 0.381337 Al\n0.749999 0.898928 0.547201 Al\n0.250000 0.042543 0.881337 Al\n0.749999 0.398928 0.952799 Al\n0.250000 0.975520 0.656737 Ge\n0.250000 0.353817 0.459838 Ge\n0.749999 0.646182 0.540161 Ge\n0.250000 0.475520 0.843262 Ge\n0.749999 0.524480 0.156737 Ge\n0.749999 0.024480 0.343263 Ge\n0.250000 0.853817 0.040161 Ge\n0.749999 0.146182 0.959838 Ge\n",
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"spacegroup": 62
},
{
"id": "jvasp-4687",
"created_at": "2022-09-04T14:37:59.379831Z",
"updated_at": "2022-09-04T14:37:59.379854Z",
"structure_string": "Zr1 Ni2 P2\n1.0\n3.475336 0.000000 -1.299842\n-0.486166 3.441164 -1.299842\n0.078771 0.090681 5.506462\nZr Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.250000 0.500000 Ni\n0.249999 0.749999 0.500000 Ni\n0.618338 0.618337 0.236676 P\n0.381662 0.381661 0.763324 P\n",
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},
{
"id": "jvasp-15974",
"created_at": "2022-09-04T14:37:49.694437Z",
"updated_at": "2022-09-04T14:37:49.694456Z",
"structure_string": "Yb1 Al2 Si2\n1.0\n2.080285 -3.603159 -0.000000\n2.080285 3.603159 0.000000\n0.000000 -0.000000 7.030709\nYb Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666666 0.333332 0.366660 Al\n0.333332 0.666666 0.633340 Al\n0.666666 0.333332 0.740002 Si\n0.333332 0.666666 0.259998 Si\n",
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},
{
"id": "jvasp-15635",
"created_at": "2022-09-04T14:37:40.806322Z",
"updated_at": "2022-09-04T14:37:40.806344Z",
"structure_string": "Tb1 Si2 Ir2\n1.0\n3.835538 -0.000000 -1.447501\n-0.546276 3.796436 -1.447501\n-0.013182 -0.015214 5.770459\nTb Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621314 0.621315 0.242628 Si\n0.378686 0.378687 0.757373 Si\n0.750000 0.250001 0.500001 Ir\n0.250000 0.750001 0.500001 Ir\n",
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}
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