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{
"id": "jvasp-60794",
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"structure_string": "B2 Sb1 As1\n1.0\n-0.000000 3.196852 3.196852\n3.196852 -0.000000 3.196852\n3.196852 3.196852 -0.000000\nB Sb As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 B\n0.749999 0.749999 0.749999 Sb\n0.500000 0.500000 0.500000 As\n",
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"structure_string": "Ca1 B2 H10 N2\n1.0\n5.009719 0.110219 0.296338\n3.128358 3.914436 0.296338\n0.034065 0.016847 6.305270\nCa B H N\n1 2 10 2\ndirect\n0.448141 0.551859 0.000000 Ca\n0.790020 0.865404 0.216345 B\n0.134596 0.209981 0.783655 B\n0.571960 0.693486 0.423527 H\n0.306515 0.428040 0.576474 H\n0.630778 0.060258 0.682559 H\n0.939743 0.369222 0.317442 H\n0.037052 0.807327 0.305283 H\n0.192673 0.962949 0.694718 H\n0.836361 0.469940 0.742814 H\n0.530061 0.163638 0.257187 H\n0.849511 0.857592 0.020415 H\n0.142408 0.150490 0.979585 H\n0.716369 0.616333 0.284247 N\n0.383667 0.283631 0.715754 N\n",
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"volume_molar": 4.874958237462533,
"formula_full": "Ca1 B2 H10 N2",
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{
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"created_at": "2022-09-04T14:36:14.550486Z",
"updated_at": "2022-09-04T14:36:14.550509Z",
"structure_string": "Ti4 H5\n1.0\n4.229037 0.000000 0.000000\n0.000000 4.229037 0.000000\n0.000000 0.000000 4.581202\nTi H\n4 5\ndirect\n0.242982 0.257019 0.253659 Ti\n0.757019 0.742982 0.253659 Ti\n0.757019 0.257019 0.746341 Ti\n0.242982 0.742982 0.746341 Ti\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.500000 0.000000 0.000000 H\n",
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{
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"created_at": "2022-09-04T14:38:40.189685Z",
"updated_at": "2022-09-04T14:38:40.189717Z",
"structure_string": "Al1 H1 N2\n1.0\n2.819239 0.000000 0.000000\n0.000000 2.819239 0.000000\n0.000000 0.000000 4.028339\nAl H N\n1 1 2\ndirect\n0.500000 0.500000 0.468999 Al\n0.000000 0.000000 0.164766 H\n0.000000 0.000000 0.423012 N\n0.500000 0.500000 0.953224 N\n",
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{
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"structure_string": "Zr1 Be1 Fe4\n1.0\n-0.000000 3.358303 3.358303\n3.358303 -0.000000 3.358303\n3.358303 3.358303 -0.000000\nZr Be Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n0.120783 0.626405 0.626405 Fe\n0.626405 0.626405 0.626405 Fe\n0.626405 0.120783 0.626405 Fe\n0.626405 0.626405 0.120783 Fe\n",
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{
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"created_at": "2022-09-04T14:36:13.802775Z",
"updated_at": "2022-09-04T14:36:13.802806Z",
"structure_string": "Hf4 Al2\n1.0\n-0.000000 0.000000 -5.209179\n-3.416189 3.416189 -2.604590\n3.416189 3.416189 -2.604590\nHf Al\n4 2\ndirect\n0.349342 0.500000 0.801315 Hf\n0.650658 0.500000 0.198685 Hf\n0.849342 0.801315 0.500000 Hf\n0.150658 0.198685 0.500000 Hf\n0.750000 -0.000000 -0.000000 Al\n0.250000 -0.000000 -0.000000 Al\n",
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"volume": 121.58585598613296,
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"formula_full": "Hf4 Al2",
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{
"id": "jvasp-16840",
"created_at": "2022-09-04T14:38:33.040111Z",
"updated_at": "2022-09-04T14:38:33.040136Z",
"structure_string": "Hf4 Al2\n1.0\n4.541488 0.000000 2.551977\n2.270744 4.830981 1.275988\n-0.095859 0.000000 5.487587\nHf Al\n4 2\ndirect\n0.650662 0.198677 0.500001 Hf\n0.849338 0.500000 0.801324 Hf\n0.349338 0.801323 0.500001 Hf\n0.150661 0.500000 0.198677 Hf\n0.750000 -0.000000 0.000000 Al\n0.250000 -0.000000 0.000000 Al\n",
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{
"id": "jvasp-20589",
"created_at": "2022-09-04T14:37:28.324329Z",
"updated_at": "2022-09-04T14:37:28.324356Z",
"structure_string": "Nb3 Au2\n1.0\n3.348009 -0.000000 -0.729908\n-0.159129 3.344225 -0.729908\n0.001257 0.001318 8.049191\nNb Au\n3 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.400087 0.400086 0.800173 Nb\n0.599914 0.599913 0.199827 Nb\n0.199090 0.199090 0.398178 Au\n0.800911 0.800910 0.601821 Au\n",
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},
{
"id": "jvasp-20400",
"created_at": "2022-09-04T14:37:40.339284Z",
"updated_at": "2022-09-04T14:37:40.339300Z",
"structure_string": "Nb3 Au2\n1.0\n3.348012 -0.000000 -0.729909\n-0.159130 3.344228 -0.729909\n0.001250 0.001312 8.049170\nNb Au\n3 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.400086 0.400087 0.800174 Nb\n0.599913 0.599913 0.199826 Nb\n0.199089 0.199089 0.398177 Au\n0.800910 0.800911 0.601822 Au\n",
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{
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"structure_string": "Li2 Fe2 C3 O9\n1.0\n4.922533 0.000000 0.000000\n0.000000 4.871080 3.445980\n0.000000 -4.871080 3.445980\nLi Fe C O\n2 2 3 9\ndirect\n0.000000 0.910176 0.910176 Li\n0.500000 0.643756 0.643756 Li\n0.500000 0.258062 0.814019 Fe\n0.500000 0.814019 0.258062 Fe\n0.000000 0.444718 0.855410 C\n0.000000 0.855410 0.444718 C\n0.500000 0.242871 0.242871 C\n0.000000 0.242218 0.886416 O\n0.000000 0.886416 0.242218 O\n0.228375 0.546493 0.839112 O\n0.228375 0.839112 0.546493 O\n0.500000 0.212122 0.444925 O\n0.500000 0.050587 0.050587 O\n0.500000 0.444925 0.212122 O\n0.771625 0.546493 0.839112 O\n0.771625 0.839112 0.546493 O\n",
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{
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