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{
"id": "jvasp-108083",
"created_at": "2022-09-04T14:38:09.100589Z",
"updated_at": "2022-09-04T14:38:09.100621Z",
"structure_string": "Sb2 Te2 Se1\n1.0\n4.109747 -0.042374 9.397080\n1.930913 3.628138 9.397080\n-0.071384 -0.042374 10.256219\nSb Te Se\n2 2 1\ndirect\n0.400287 0.400288 0.400286 Sb\n0.596788 0.596790 0.596787 Sb\n0.792105 0.792107 0.792104 Te\n0.997119 0.997122 0.997117 Te\n0.213699 0.213700 0.213699 Se\n",
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{
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"structure_string": "Mg4 Cl8 O4\n1.0\n7.501112 0.000000 -0.773037\n0.000000 5.527039 0.000000\n-1.270631 0.000000 7.697483\nMg Cl O\n4 8 4\ndirect\n0.163552 0.741652 0.830138 Mg\n0.163552 0.758349 0.330138 Mg\n0.836448 0.241652 0.669861 Mg\n0.836448 0.258349 0.169862 Mg\n0.192153 0.284377 0.959047 Cl\n0.192153 0.215623 0.459048 Cl\n0.357898 0.768377 0.630914 Cl\n0.357898 0.731623 0.130914 Cl\n0.642102 0.268377 0.869085 Cl\n0.642102 0.231623 0.369085 Cl\n0.807847 0.784377 0.540952 Cl\n0.807847 0.715623 0.040953 Cl\n0.940894 0.576551 0.679466 O\n0.940894 0.923449 0.179466 O\n0.059105 0.076551 0.820533 O\n0.059105 0.423449 0.320533 O\n",
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{
"id": "jvasp-47159",
"created_at": "2022-09-04T14:38:09.170105Z",
"updated_at": "2022-09-04T14:38:09.170131Z",
"structure_string": "Li1 V1 F6\n1.0\n-5.385803 0.000000 -0.000000\n-2.692902 1.554747 -4.397489\n0.000000 -3.109494 -4.397489\nLi V F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.000001 0.500000 V\n0.736716 0.526567 0.736716 F\n0.736716 0.000001 0.736716 F\n0.736716 0.000000 0.263283 F\n0.263282 0.473434 0.263283 F\n0.263283 0.000001 0.736716 F\n0.263283 0.000000 0.263283 F\n",
"nsites": 8,
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"volume": 110.46792791486004,
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"formula_full": "Li1 V1 F6",
"formula_reduced": "LiVF6",
"formula_anonymous": "ABC6",
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"spacegroup": 225
},
{
"id": "jvasp-17881",
"created_at": "2022-09-04T14:38:09.180995Z",
"updated_at": "2022-09-04T14:38:09.181022Z",
"structure_string": "U1 Fe2 Si2\n1.0\n3.694717 0.000000 -1.411282\n-0.539072 3.655180 -1.411282\n-0.052959 -0.061342 5.403356\nU Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.750001 0.250000 0.500001 Fe\n0.250000 0.750000 0.500001 Fe\n0.630340 0.630339 0.260679 Si\n0.369661 0.369661 0.739323 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 9.318111207146783,
"density_atomic": 0.06912585893815837,
"volume": 72.33183177475044,
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"formula_full": "U1 Fe2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-36755",
"created_at": "2022-09-04T14:38:09.396944Z",
"updated_at": "2022-09-04T14:38:09.396963Z",
"structure_string": "Li2 Au2 O4\n1.0\n1.958571 3.164947 1.384630\n3.774150 -3.212619 2.004745\n0.038899 -0.019945 -5.704128\nLi Au O\n2 2 4\ndirect\n0.635363 0.250000 0.000000 Li\n0.364637 0.750000 0.000001 Li\n0.000001 -0.000000 0.500000 Au\n0.500001 0.500000 0.500001 Au\n0.696169 0.631267 0.276408 O\n0.580240 0.131267 0.276407 O\n0.419761 0.868732 0.723594 O\n0.303832 0.368732 0.723594 O\n",
"nsites": 8,
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"formula_full": "Li2 Au2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 15
},
{
"id": "jvasp-11266",
"created_at": "2022-09-04T14:38:09.100046Z",
"updated_at": "2022-09-04T14:38:09.100067Z",
"structure_string": "Mg2 Bi3 O8\n1.0\n5.278741 -0.409840 -2.409528\n-1.020152 6.063135 -3.266211\n-0.980977 -0.426626 6.934420\nMg Bi O\n2 3 8\ndirect\n0.705195 0.672811 0.345622 Mg\n0.294805 0.327188 0.654377 Mg\n0.500000 0.999998 -0.000000 Bi\n0.000000 0.732455 -0.000000 Bi\n0.000000 0.267544 -0.000000 Bi\n0.010428 0.376341 0.752684 O\n0.989570 0.623657 0.247314 O\n-0.016057 0.880578 0.761157 O\n0.016056 0.119420 0.238841 O\n0.467624 0.374702 0.227159 O\n0.467624 0.852456 0.227159 O\n0.532376 0.147542 0.772839 O\n0.532376 0.625295 0.772839 O\n",
"nsites": 13,
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"volume": 194.99293779991783,
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"formula_full": "Mg2 Bi3 O8",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 12
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{
"id": "jvasp-17779",
"created_at": "2022-09-04T14:38:09.105692Z",
"updated_at": "2022-09-04T14:38:09.105707Z",
"structure_string": "Yb1 Ga5 Co1\n1.0\n4.208037 -0.000000 -0.000000\n-0.000000 4.208037 -0.000000\n-0.000000 0.000000 6.762198\nYb Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.693187 Ga\n0.500000 0.000000 0.306813 Ga\n0.000000 0.500000 0.306813 Ga\n0.500000 0.000000 0.693187 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 7,
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"volume": 119.74213090988907,
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"formula_full": "Yb1 Ga5 Co1",
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"spacegroup": 123
},
{
"id": "jvasp-10082",
"created_at": "2022-09-04T14:38:09.112094Z",
"updated_at": "2022-09-04T14:38:09.112113Z",
"structure_string": "Re2 Ag2 O8\n1.0\n5.388190 0.001026 -0.001404\n-0.001337 5.388657 -0.005582\n-2.691179 -2.689349 5.811321\nRe Ag O\n2 2 8\ndirect\n0.875004 0.124970 0.249990 Re\n0.124996 0.875032 0.750011 Re\n0.624988 0.374980 0.749997 Ag\n0.375012 0.625022 0.250004 Ag\n0.927788 0.272056 0.078546 O\n0.272068 0.650814 0.578525 O\n0.806481 0.927791 0.578574 O\n0.650756 0.806446 0.078518 O\n0.349244 0.193556 0.921483 O\n0.193519 0.072211 0.421427 O\n0.727932 0.349188 0.421475 O\n0.072211 0.727946 0.921455 O\n",
"nsites": 12,
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"density": 7.052007204226064,
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"volume": 168.63110200185994,
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"formula_full": "Re2 Ag2 O8",
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"spacegroup": 88
},
{
"id": "jvasp-18265",
"created_at": "2022-09-04T14:38:09.169934Z",
"updated_at": "2022-09-04T14:38:09.169957Z",
"structure_string": "Mn1 In1 Cu2\n1.0\n3.797079 -0.000000 2.192245\n1.265693 3.579921 2.192245\n-0.000000 0.000000 4.384490\nMn In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n",
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"formula_full": "Mn1 In1 Cu2",
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{
"id": "jvasp-41412",
"created_at": "2022-09-04T14:38:09.174024Z",
"updated_at": "2022-09-04T14:38:09.174044Z",
"structure_string": "Lu1 Mg1 Hg2\n1.0\n0.000000 3.524997 3.524997\n3.524997 -0.000000 3.524997\n3.524997 3.524997 -0.000000\nLu Mg Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750002 0.750002 0.750002 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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{
"id": "jvasp-41119",
"created_at": "2022-09-04T14:38:09.433870Z",
"updated_at": "2022-09-04T14:38:09.433884Z",
"structure_string": "Yb2 Pd1 Au1\n1.0\n-0.000000 3.481202 3.481202\n3.481202 0.000000 3.481202\n3.481202 3.481202 0.000000\nYb Pd Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Pd\n0.249999 0.249999 0.249999 Au\n",
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{
"id": "jvasp-36983",
"created_at": "2022-09-04T14:38:09.252402Z",
"updated_at": "2022-09-04T14:38:09.252411Z",
"structure_string": "Tl2 In2 Cl6\n1.0\n7.233009 0.439294 0.358927\n3.980282 6.899494 0.090874\n3.935862 2.253382 6.553850\nTl In Cl\n2 2 6\ndirect\n0.014212 -0.011854 -0.001841 Tl\n0.471793 0.501914 0.511798 Tl\n0.242985 0.244995 0.255009 In\n0.742999 0.744980 0.755017 In\n0.478713 0.069509 -0.113212 Cl\n0.007309 0.420502 0.623167 Cl\n0.481311 0.550862 0.079312 Cl\n0.004711 0.939073 0.430707 Cl\n0.480391 0.875960 0.562143 Cl\n0.005572 0.614056 -0.052103 Cl\n",
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}