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{
"id": "jvasp-102867",
"created_at": "2022-09-04T14:36:34.164143Z",
"updated_at": "2022-09-04T14:36:34.164169Z",
"structure_string": "K2 Tb1 Cu1 Cl6\n1.0\n6.283013 -0.000000 3.627498\n2.094338 5.923681 3.627498\n0.000000 0.000000 7.254998\nTb K Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.744362 0.255637 0.255638 Cl\n0.255637 0.255637 0.744363 Cl\n0.255637 0.744363 0.744363 Cl\n0.255637 0.744363 0.255638 Cl\n0.744362 0.255637 0.744363 Cl\n0.744363 0.744363 0.255638 Cl\n",
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{
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"created_at": "2022-09-04T14:38:09.820578Z",
"updated_at": "2022-09-04T14:38:09.820604Z",
"structure_string": "K2 Tb4 Cu2 S8\n1.0\n3.960971 -0.000000 0.000000\n-1.980485 6.722748 -0.000000\n0.000000 0.000000 13.728220\nTb K Cu S\n4 2 2 8\ndirect\n0.365803 0.731604 0.936631 Tb\n0.634199 0.268397 0.436631 Tb\n0.365803 0.731604 0.563369 Tb\n0.634199 0.268397 0.063369 Tb\n0.889899 0.779798 0.250000 K\n0.110102 0.220202 0.750000 K\n0.838283 0.676565 0.750000 Cu\n0.161718 0.323435 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.264532 0.529063 0.111861 S\n0.735470 0.470937 0.888139 S\n0.433687 0.867371 0.750000 S\n0.264532 0.529063 0.388139 S\n0.566315 0.132629 0.250000 S\n0.735470 0.470937 0.611861 S\n",
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"volume_molar": 13.759214620153204,
"formula_full": "K2 Tb4 Cu2 S8",
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{
"id": "jvasp-10883",
"created_at": "2022-09-04T14:37:10.258477Z",
"updated_at": "2022-09-04T14:37:10.258497Z",
"structure_string": "K2 Tb2 Ge2 S8\n1.0\n0.000000 6.507711 0.019635\n6.669362 0.000000 0.000000\n0.000000 -2.614400 -8.140995\nTb K Ge S\n2 2 2 8\ndirect\n0.229570 0.363853 0.552256 Tb\n0.770429 0.863853 0.447743 Tb\n0.738220 0.877127 0.937123 K\n0.261779 0.377127 0.062876 K\n0.220696 0.897332 0.321114 Ge\n0.779304 0.397332 0.678885 Ge\n0.031919 0.637642 0.723356 S\n0.423353 0.900697 0.157176 S\n0.565992 0.464290 0.424193 S\n0.434007 0.964290 0.575806 S\n0.576647 0.400697 0.842823 S\n0.011693 0.624789 0.292680 S\n0.968080 0.137642 0.276643 S\n0.988307 0.124789 0.707319 S\n",
"nsites": 14,
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"volume": 352.9953848136063,
"volume_molar": 15.184199249842166,
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{
"id": "jvasp-99476",
"created_at": "2022-09-04T14:36:10.152917Z",
"updated_at": "2022-09-04T14:36:10.152941Z",
"structure_string": "K2 Li1 Tb1 Cl6\n1.0\n6.265550 -0.000000 3.617417\n2.088517 5.907217 3.617417\n-0.000000 -0.000000 7.234834\nTb K Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.743998 0.256002 0.256002 Cl\n0.256002 0.256002 0.743998 Cl\n0.256002 0.743998 0.743998 Cl\n0.256002 0.743998 0.256002 Cl\n0.743998 0.256002 0.743998 Cl\n0.743998 0.743998 0.256002 Cl\n",
"nsites": 10,
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"density_atomic": 0.03734472831022804,
"volume": 267.77541175098554,
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"formula_full": "K2 Li1 Tb1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-122118",
"created_at": "2022-09-04T14:38:55.220071Z",
"updated_at": "2022-09-04T14:38:55.220108Z",
"structure_string": "K2 Tb2 Mo4 O16\n1.0\n6.508429 -0.006568 3.527189\n-1.619311 6.303770 3.527189\n-0.031206 -0.040193 7.751475\nTb K Mo O\n2 2 4 16\ndirect\n0.770275 0.229725 0.750001 Tb\n0.229725 0.770275 0.250000 Tb\n0.195729 0.804271 0.750001 K\n0.804271 0.195729 0.250000 K\n0.692837 0.699080 0.758028 Mo\n0.307162 0.300920 0.241973 Mo\n0.300920 0.307163 0.741974 Mo\n0.699080 0.692837 0.258027 Mo\n0.198296 0.049861 0.309062 O\n0.801703 0.950139 0.690939 O\n0.365523 0.581545 0.472928 O\n0.634477 0.418456 0.527073 O\n0.418456 0.634477 0.027073 O\n0.581544 0.365523 0.972928 O\n0.073993 0.390318 0.374436 O\n0.774997 0.607680 0.062199 O\n0.609682 0.926007 0.125565 O\n0.390318 0.073993 0.874436 O\n0.049861 0.198297 0.809062 O\n0.225003 0.392320 0.937802 O\n0.392320 0.225003 0.437802 O\n0.607680 0.774997 0.562199 O\n0.926007 0.609682 0.625565 O\n0.950139 0.801703 0.190939 O\n",
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"spacegroup": 15
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{
"id": "jvasp-108844",
"created_at": "2022-09-04T14:38:15.130392Z",
"updated_at": "2022-09-04T14:38:15.130419Z",
"structure_string": "K2 Rb1 Tb1 Cl6\n1.0\n6.918985 -0.000000 3.994678\n2.306328 6.523281 3.994678\n-0.000000 -0.000000 7.989355\nTb K Rb Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Rb\n0.767427 0.232572 0.232573 Cl\n0.232572 0.232572 0.767428 Cl\n0.232572 0.767428 0.767429 Cl\n0.232572 0.767428 0.232573 Cl\n0.767427 0.232572 0.767429 Cl\n0.767428 0.767428 0.232573 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.02773191146540879,
"volume": 360.59541054259574,
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"formula_full": "K2 Rb1 Tb1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-102423",
"created_at": "2022-09-04T14:36:43.507126Z",
"updated_at": "2022-09-04T14:36:43.507143Z",
"structure_string": "K1 Rb2 Tb1 Cl6\n1.0\n6.776136 -0.000000 3.912204\n2.258712 6.388602 3.912204\n-0.000000 -0.000000 7.824408\nTb K Rb Cl\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.762549 0.237452 0.237451 Cl\n0.237452 0.237452 0.762548 Cl\n0.237452 0.762548 0.762548 Cl\n0.237452 0.762548 0.237452 Cl\n0.762549 0.237452 0.762548 Cl\n0.762548 0.762548 0.237451 Cl\n",
"nsites": 10,
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{
"id": "jvasp-116540",
"created_at": "2022-09-04T14:38:43.786054Z",
"updated_at": "2022-09-04T14:38:43.786075Z",
"structure_string": "Tb4 La2 Ru2 O14\n1.0\n6.475670 -0.003843 0.000000\n-2.244694 6.074180 0.000000\n-0.000000 -0.000000 7.517636\nTb La Ru O\n4 2 2 14\ndirect\n0.521014 0.075312 0.250000 Tb\n0.924688 0.478986 0.750000 Tb\n0.478987 0.924688 0.750000 Tb\n0.075313 0.521014 0.250000 Tb\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 -0.000000 Ru\n0.884685 0.163837 0.250000 O\n0.836164 0.115316 0.750000 O\n0.115316 0.836164 0.750000 O\n0.163837 0.884685 0.250000 O\n0.184869 0.444184 0.961109 O\n0.555816 0.815131 0.038892 O\n0.444185 0.184869 0.961109 O\n0.555816 0.815131 0.461109 O\n0.815132 0.555816 0.038892 O\n0.410617 0.410617 0.250000 O\n0.815132 0.555816 0.461109 O\n0.444185 0.184869 0.538892 O\n0.184869 0.444184 0.538892 O\n0.589384 0.589384 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:36:43.255675Z",
"updated_at": "2022-09-04T14:36:43.255711Z",
"structure_string": "Li1 Tb1 Cu2 P2\n1.0\n1.999374 -3.463016 0.000000\n1.999374 3.463016 -0.000000\n0.000000 0.000000 6.649326\nTb Li Cu P\n1 1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Li\n0.333332 0.666666 0.326309 Cu\n0.666666 0.333332 0.673692 Cu\n0.333332 0.666666 0.739368 P\n0.666666 0.333332 0.260633 P\n",
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{
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"structure_string": "Tb6 Mg1 Ge2 S14\n1.0\n9.870102 0.000000 0.000000\n-4.935050 8.547759 0.000000\n-0.000000 -0.000000 5.786284\nTb Mg Ge S\n6 1 2 14\ndirect\n0.864738 0.224487 0.258303 Tb\n0.359748 0.135262 0.258303 Tb\n0.775512 0.640252 0.258303 Tb\n0.135631 0.777950 0.765865 Tb\n0.642319 0.864369 0.765865 Tb\n0.222050 0.357681 0.765865 Tb\n0.000000 0.000000 0.476188 Mg\n0.666667 0.333333 0.836951 Ge\n0.333333 0.666667 0.346311 Ge\n0.480806 0.576659 0.506029 S\n0.577737 0.096211 -0.001104 S\n0.903789 0.481526 -0.001104 S\n0.518474 0.422262 -0.001104 S\n0.901362 0.153317 0.713747 S\n0.846683 0.748046 0.713747 S\n0.747689 0.903461 0.231296 S\n0.096539 0.844229 0.231296 S\n0.155771 0.252311 0.231296 S\n0.095852 0.519194 0.506029 S\n0.333333 0.666667 0.965152 S\n0.666667 0.333333 0.456824 S\n0.251954 0.098638 0.713747 S\n0.423341 0.904148 0.506029 S\n",
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{
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"created_at": "2022-09-04T14:37:17.083036Z",
"updated_at": "2022-09-04T14:37:17.083052Z",
"structure_string": "Tb1 Mn2 Bi1 O6\n1.0\n5.196480 0.000000 3.000189\n1.732159 4.899280 3.000192\n0.000004 0.000005 6.000372\nTb Mn Bi O\n1 2 1 6\ndirect\n0.000000 0.999999 0.000000 Tb\n0.750007 0.750005 0.749994 Mn\n0.250005 0.250006 0.249996 Mn\n0.499999 0.500000 0.500001 Bi\n0.744331 0.255664 0.255669 O\n0.744331 0.255664 0.744337 O\n0.255662 0.744332 0.744336 O\n0.255664 0.744332 0.255668 O\n0.744332 0.744334 0.255666 O\n0.255663 0.255667 0.744333 O\n",
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"formula_full": "Tb1 Mn2 Bi1 O6",
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{
"id": "jvasp-119072",
"created_at": "2022-09-04T14:38:50.667867Z",
"updated_at": "2022-09-04T14:38:50.667895Z",
"structure_string": "Tb1 Mn4 Cu3 O12\n1.0\n5.923928 -0.000000 -2.094425\n-2.961964 5.130272 -2.094425\n-0.000000 -0.000000 6.283275\nTb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000001 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.475476 0.177631 0.297845 O\n0.524525 0.822369 0.702155 O\n0.297845 0.120214 0.822369 O\n0.702156 0.879785 0.177632 O\n0.297845 0.475476 0.177631 O\n0.177631 0.297845 0.475476 O\n0.822370 0.297845 0.120215 O\n0.177631 0.702155 0.879786 O\n0.120215 0.822369 0.297846 O\n0.822370 0.702155 0.524525 O\n0.702155 0.524524 0.822370 O\n0.879786 0.177631 0.702155 O\n",
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]
}