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{
"id": "jvasp-63911",
"created_at": "2022-09-04T14:35:43.881225Z",
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"structure_string": "K1 Ba1 Pb1\n1.0\n0.000000 4.107954 4.107954\n4.107954 0.000000 4.107954\n4.107954 4.107954 -0.000000\nK Ba Pb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Pb\n",
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{
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"structure_string": "Ca6 Zn2\n1.0\n7.114953 -0.000000 0.000000\n-3.557476 6.161730 -0.000000\n-0.000000 0.000000 5.628555\nCa Zn\n6 2\ndirect\n0.653813 0.826908 0.750001 Ca\n0.173092 0.346186 0.750001 Ca\n0.173092 0.826908 0.750001 Ca\n0.826907 0.653814 0.250000 Ca\n0.826907 0.173092 0.250000 Ca\n0.346186 0.173092 0.250000 Ca\n0.666667 0.333333 0.750001 Zn\n0.333332 0.666667 0.250000 Zn\n",
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{
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"structure_string": "Ba1 Cd1 O1\n1.0\n5.148634 -0.000000 -0.000000\n-2.574317 4.458848 0.000000\n-0.000000 -0.000000 4.561605\nBa Cd O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666666 0.000000 Cd\n0.666665 0.333333 0.000000 O\n",
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{
"id": "jvasp-93131",
"created_at": "2022-09-04T14:36:13.549444Z",
"updated_at": "2022-09-04T14:36:13.549458Z",
"structure_string": "Ce1 Mg6 Si1\n1.0\n7.161293 0.758143 0.000000\n-2.924076 5.064646 0.000000\n0.000000 0.000000 4.874348\nCe Mg Si\n1 6 1\ndirect\n0.107621 0.303810 0.250000 Ce\n0.622650 0.314858 0.250000 Mg\n0.622650 0.807792 0.250000 Mg\n0.352430 0.177786 0.750000 Mg\n0.352430 0.674646 0.750000 Mg\n0.785182 0.142591 0.750000 Mg\n0.926300 0.713151 0.750000 Mg\n0.230735 0.865367 0.250000 Si\n",
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"density_atomic": 0.0426449393037187,
"volume": 187.59553022279454,
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"formula_full": "Ce1 Mg6 Si1",
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"spacegroup": 38
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{
"id": "jvasp-60799",
"created_at": "2022-09-04T14:36:06.925760Z",
"updated_at": "2022-09-04T14:36:06.925781Z",
"structure_string": "Ga8 Au4\n1.0\n3.764630 0.000000 0.000000\n0.000000 7.279158 0.000000\n0.000000 0.000000 8.271043\nGa Au\n8 4\ndirect\n0.250000 0.870903 0.565970 Ga\n0.750000 0.629098 0.065970 Ga\n0.750000 0.129097 0.434030 Ga\n0.250000 0.370903 0.934030 Ga\n0.250000 0.456496 0.348230 Ga\n0.750000 0.043504 0.848230 Ga\n0.750000 0.543505 0.651769 Ga\n0.250000 0.956496 0.151770 Ga\n0.250000 0.244388 0.639812 Au\n0.750000 0.255612 0.139812 Au\n0.750000 0.755612 0.360188 Au\n0.250000 0.744388 0.860188 Au\n",
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"elements": [
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"chemical_system": "Au-Ga",
"density": 9.858652950975932,
"density_atomic": 0.05294409418628188,
"volume": 226.65417520939036,
"volume_molar": 11.374527891272095,
"formula_full": "Ga8 Au4",
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"spacegroup": 62
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{
"id": "jvasp-81",
"created_at": "2022-09-04T14:35:49.788272Z",
"updated_at": "2022-09-04T14:35:49.788303Z",
"structure_string": "Ga4 Se4\n1.0\n1.902711 -3.295591 0.000000\n1.902711 3.295591 0.000000\n0.000000 0.000000 16.158095\nGa Se\n4 4\ndirect\n0.333333 0.666667 0.825978 Ga\n0.666667 0.333333 0.325978 Ga\n0.666667 0.333333 0.174022 Ga\n0.333333 0.666667 0.674021 Ga\n0.333333 0.666667 0.398581 Se\n0.666667 0.333333 0.898580 Se\n0.666667 0.333333 0.601419 Se\n0.333333 0.666667 0.101419 Se\n",
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"volume": 202.6405194064245,
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"formula_full": "Ga4 Se4",
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"spacegroup": 194
},
{
"id": "jvasp-120966",
"created_at": "2022-09-04T14:38:53.673448Z",
"updated_at": "2022-09-04T14:38:53.673477Z",
"structure_string": "Li1 Ga1 Cl1\n1.0\n4.960299 -0.000000 -0.000000\n-2.480149 4.295745 0.000000\n0.000000 0.000000 3.320347\nLi Ga Cl\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Li\n0.333333 0.666665 0.000000 Ga\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-29264",
"created_at": "2022-09-04T14:38:39.401103Z",
"updated_at": "2022-09-04T14:38:39.401118Z",
"structure_string": "Sb4 Au6 F36\n1.0\n8.460529 0.000000 0.000000\n0.000000 8.259093 -3.862505\n0.000000 -0.009317 9.696196\nSb Au F\n4 6 36\ndirect\n0.124647 0.139978 0.276439 Sb\n0.624647 0.360022 0.223561 Sb\n0.875353 0.860021 0.723560 Sb\n0.375353 0.639978 0.776439 Sb\n0.668458 0.797810 0.130567 Au\n0.168458 0.702189 0.369432 Au\n0.000000 0.500000 -0.000000 Au\n0.831542 0.297810 0.630568 Au\n0.331542 0.202189 0.869433 Au\n0.500000 -0.000000 0.500000 Au\n0.472288 0.335095 0.046964 F\n0.972288 0.164904 0.453036 F\n0.229136 0.605642 0.617243 F\n0.729136 0.894357 0.882757 F\n0.770864 0.394357 0.382757 F\n0.368873 0.417873 0.744738 F\n0.868873 0.082126 0.755262 F\n0.631127 0.582126 0.255262 F\n0.027712 0.835095 0.546964 F\n0.216414 0.681762 0.928992 F\n0.716414 0.818237 0.571007 F\n0.270864 0.105642 0.117243 F\n0.131127 0.917873 0.244738 F\n0.941293 0.094547 0.153101 F\n0.283586 0.181762 0.428992 F\n0.441293 0.405452 0.346899 F\n0.058707 0.905452 0.846898 F\n0.558707 0.594547 0.653101 F\n0.101019 0.365637 0.333784 F\n0.601019 0.134363 0.166216 F\n0.791510 0.908984 0.310653 F\n0.291510 0.591015 0.189346 F\n0.208490 0.091015 0.689346 F\n0.708490 0.408984 0.810654 F\n0.478863 0.895958 0.256586 F\n0.978863 0.604041 0.243414 F\n0.521137 0.104041 0.743414 F\n0.021137 0.395958 0.756586 F\n0.863022 0.701937 0.010142 F\n0.363022 0.798063 0.489857 F\n0.136978 0.298063 0.989857 F\n0.636978 0.201937 0.510143 F\n0.898981 0.634362 0.666216 F\n0.398981 0.865636 0.833783 F\n0.783586 0.318237 0.071008 F\n0.527712 0.664904 0.953036 F\n",
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{
"id": "jvasp-114791",
"created_at": "2022-09-04T14:38:42.014859Z",
"updated_at": "2022-09-04T14:38:42.014875Z",
"structure_string": "Na1 Tl1 Cl1\n1.0\n3.594145 0.000000 -0.000000\n0.000000 3.594145 -0.000000\n-0.000000 -0.000000 8.307567\nNa Tl Cl\n1 1 1\ndirect\n0.000000 0.000000 0.553654 Na\n0.000000 0.000000 -0.063434 Tl\n0.000000 0.000000 0.255205 Cl\n",
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{
"id": "jvasp-17319",
"created_at": "2022-09-04T14:38:33.588806Z",
"updated_at": "2022-09-04T14:38:33.588839Z",
"structure_string": "Sr4 As2\n1.0\n4.617723 0.000000 -1.324628\n-0.379980 4.602062 -1.324628\n0.108565 0.117898 9.089589\nSr As\n4 2\ndirect\n0.318899 0.318898 0.637796 Sr\n0.681102 0.681102 0.362203 Sr\n-0.000000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.866258 0.866257 0.732515 As\n0.133743 0.133743 0.267485 As\n",
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{
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"created_at": "2022-09-04T14:37:12.299733Z",
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"structure_string": "Ga8 Se8\n1.0\n3.806824 -0.000000 -0.000000\n-1.903412 3.296806 0.000000\n-0.000000 0.000000 32.237122\nGa Se\n8 8\ndirect\n0.333333 0.666668 0.212570 Ga\n0.000000 0.000000 0.539285 Ga\n0.666667 0.333333 0.712570 Ga\n0.000000 0.000000 0.039285 Ga\n0.333333 0.666668 0.288739 Ga\n0.666667 0.333333 0.788739 Ga\n0.000000 0.000000 0.963125 Ga\n0.000000 0.000000 0.463125 Ga\n0.000000 0.000000 0.676236 Se\n0.666667 0.333333 0.926763 Se\n0.666667 0.333333 0.075665 Se\n0.000000 0.000000 0.325117 Se\n0.000000 0.000000 0.176236 Se\n0.333333 0.666668 0.575665 Se\n0.000000 0.000000 0.825117 Se\n0.333333 0.666668 0.426763 Se\n",
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{
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