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{
"id": "jvasp-50422",
"created_at": "2022-09-04T14:37:15.619624Z",
"updated_at": "2022-09-04T14:37:15.619645Z",
"structure_string": "Lu4 B6 O15\n1.0\n6.604102 3.812879 2.290111\n-6.604102 3.812879 2.290111\n-0.000000 -7.625760 2.290111\nLu B O\n4 6 15\ndirect\n0.197974 0.720335 0.898260 Lu\n0.720336 0.898260 0.197974 Lu\n0.004764 0.004764 0.004764 Lu\n0.898259 0.197974 0.720335 Lu\n0.501379 0.806102 0.728897 B\n0.155767 0.396213 0.494620 B\n0.396213 0.494620 0.155767 B\n0.806102 0.728897 0.501379 B\n0.728897 0.501379 0.806102 B\n0.494620 0.155767 0.396213 B\n0.913560 0.496241 0.882056 O\n0.946178 0.748686 0.689167 O\n0.530148 0.319570 0.586026 O\n0.586026 0.530148 0.319569 O\n0.748685 0.689167 0.946178 O\n0.882056 0.913560 0.496241 O\n0.117147 0.406988 0.651294 O\n0.406988 0.651294 0.117147 O\n0.689167 0.946178 0.748685 O\n0.319570 0.586026 0.530148 O\n0.651294 0.117147 0.406988 O\n0.496241 0.882056 0.913560 O\n0.286306 0.016524 0.187814 O\n0.187814 0.286306 0.016524 O\n0.016524 0.187814 0.286306 O\n",
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{
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{
"id": "jvasp-89921",
"created_at": "2022-09-04T14:36:09.548228Z",
"updated_at": "2022-09-04T14:36:09.548246Z",
"structure_string": "Te1 N2 O6\n1.0\n3.082608 2.878288 -0.999773\n3.082608 -2.878288 -0.999773\n-0.164501 0.000000 -6.653850\nTe N O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.328761 0.328761 0.282069 N\n0.671240 0.671240 0.717930 N\n0.705469 0.705469 0.541409 O\n0.294532 0.294532 0.458590 O\n0.283106 0.825624 0.184196 O\n0.825624 0.283106 0.184196 O\n0.716895 0.174377 0.815803 O\n0.174377 0.716895 0.815803 O\n",
"nsites": 9,
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"elements": [
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"density": 3.510368529825875,
"density_atomic": 0.07561684827877162,
"volume": 119.02109390780606,
"volume_molar": 7.964019788022072,
"formula_full": "Te1 N2 O6",
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"spacegroup": 12
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{
"id": "jvasp-92396",
"created_at": "2022-09-04T14:35:58.932587Z",
"updated_at": "2022-09-04T14:35:58.932605Z",
"structure_string": "Tm1 Si2 Ru2\n1.0\n3.878187 0.000000 -1.554427\n-0.623034 3.827813 -1.554427\n-0.012561 -0.014770 5.583778\nTm Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.369898 0.369897 0.739794 Si\n0.630104 0.630103 0.260206 Si\n0.750001 0.250000 0.500000 Ru\n0.250001 0.749999 0.500000 Ru\n",
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"elements": [
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{
"id": "jvasp-64898",
"created_at": "2022-09-04T14:35:50.323711Z",
"updated_at": "2022-09-04T14:35:50.323740Z",
"structure_string": "Mn1 Be2 Nb1\n1.0\n-1.796380 1.796380 3.664335\n1.796380 -1.796380 3.664335\n1.796380 1.796380 -3.664335\nMn Be Nb\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Nb\n",
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{
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"created_at": "2022-09-04T14:37:51.159344Z",
"updated_at": "2022-09-04T14:37:51.159365Z",
"structure_string": "Lu1 Si2 Ru2\n1.0\n3.871352 -0.000000 -1.556037\n-0.625428 3.820498 -1.556037\n-0.013264 -0.015613 5.560894\nLu Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.629597 0.629598 0.259195 Si\n0.370403 0.370403 0.740804 Si\n0.750000 0.250001 0.499999 Ru\n0.250000 0.750001 0.499999 Ru\n",
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{
"id": "jvasp-71477",
"created_at": "2022-09-04T14:35:58.194306Z",
"updated_at": "2022-09-04T14:35:58.194322Z",
"structure_string": "Y2 Be1 Os1\n1.0\n3.243127 -0.000000 0.000000\n-0.000000 3.243127 -0.000000\n0.000000 -0.000000 7.754833\nY Be Os\n2 1 1\ndirect\n0.000000 0.000000 0.929557 Y\n0.500000 0.500000 0.324784 Y\n0.000000 0.000000 0.573018 Be\n0.500000 0.500000 0.672639 Os\n",
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"formula_full": "Y2 Be1 Os1",
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"spacegroup": 99
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{
"id": "jvasp-36872",
"created_at": "2022-09-04T14:38:03.982255Z",
"updated_at": "2022-09-04T14:38:03.982285Z",
"structure_string": "B1 Os1\n1.0\n1.455521 -2.521036 -0.000000\n1.455521 2.521036 -0.000000\n0.000000 -0.000000 2.887715\nB Os\n1 1\ndirect\n0.666667 0.333332 0.499999 B\n0.000000 0.000000 0.000000 Os\n",
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{
"id": "jvasp-90729",
"created_at": "2022-09-04T14:36:10.286293Z",
"updated_at": "2022-09-04T14:36:10.286310Z",
"structure_string": "U2 Fe2 As4\n1.0\n3.993301 -0.000000 -0.000000\n0.000000 3.993301 -0.000000\n-0.000000 -0.000000 8.719719\nU Fe As\n2 2 4\ndirect\n0.750000 0.750000 0.743014 U\n0.250000 0.250000 0.256986 U\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.000000 As\n0.750000 0.250000 0.000000 As\n0.750000 0.750000 0.343217 As\n0.250000 0.250000 0.656784 As\n",
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{
"id": "jvasp-58196",
"created_at": "2022-09-04T14:37:05.396847Z",
"updated_at": "2022-09-04T14:37:05.396865Z",
"structure_string": "Zn2 Cr8 O12\n1.0\n2.942879 0.000000 0.000000\n-1.471440 4.927083 0.000000\n0.000000 -0.000000 15.200652\nZn Cr O\n2 8 12\ndirect\n0.651856 0.303714 0.750000 Zn\n0.348144 0.696285 0.250000 Zn\n0.865677 0.731356 0.045665 Cr\n0.399592 0.799184 0.636912 Cr\n0.134321 0.268642 0.954335 Cr\n0.600408 0.200816 0.363089 Cr\n0.865677 0.731356 0.454335 Cr\n0.134321 0.268642 0.545665 Cr\n0.600408 0.200816 0.136911 Cr\n0.399592 0.799184 0.863088 Cr\n0.778593 0.557188 0.578088 O\n0.221406 0.442813 0.421912 O\n0.221406 0.442813 0.078088 O\n0.778593 0.557188 0.921912 O\n0.037701 0.075401 0.659220 O\n0.499999 -0.000000 0.500000 O\n0.962299 0.924599 0.159220 O\n0.037701 0.075401 0.840781 O\n0.499999 -0.000000 0.000000 O\n0.297228 0.594455 0.750000 O\n0.962299 0.924599 0.340780 O\n0.702770 0.405543 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:35:49.913319Z",
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"structure_string": "Te2 Mo1 W1 Se2\n1.0\n3.440995 0.000000 0.000000\n-1.720497 2.980176 0.000074\n0.000000 0.000562 13.923132\nTe Mo W Se\n2 1 1 2\ndirect\n0.334250 0.668503 0.684612 Te\n0.334293 0.668588 0.417274 Te\n0.667599 0.335200 0.550943 Mo\n0.332399 0.664799 0.050926 W\n0.665745 0.331492 0.932893 Se\n0.665710 0.331419 0.168957 Se\n",
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{
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"structure_string": "Ca1 Hf1 N2\n1.0\n5.881745 0.416247 0.262087\n4.747123 3.497574 0.262087\n4.747123 1.748012 3.040751\nCa Hf N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500001 Hf\n0.762280 0.762279 0.762282 N\n0.237720 0.237720 0.237720 N\n",
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}