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{
"id": "mp-760242",
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"structure_string": "Li2 V2 O2 F8\n1.0\n5.401869 0.000000 0.000000\n-2.149768 5.275661 0.000000\n-0.766886 -2.211969 6.633426\nLi V O F\n2 2 2 8\ndirect\n0.667562 0.310831 0.747282 Li\n0.332438 0.689169 0.252718 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.916624 0.018128 0.246747 O\n0.083376 0.981872 0.753253 O\n0.766105 0.151221 0.940815 F\n0.036693 0.690342 0.388215 F\n0.716508 0.663232 0.891326 F\n0.368984 0.189730 0.516913 F\n0.631016 0.810270 0.483087 F\n0.283492 0.336768 0.108674 F\n0.963307 0.309658 0.611785 F\n0.233895 0.848779 0.059185 F\n",
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{
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{
"id": "mp-760202",
"created_at": "2022-09-04T14:41:51.356133Z",
"structure_string": "Li4 V4 F24\n1.0\n5.002408 0.000000 0.000000\n0.000000 8.694187 0.000000\n0.000000 0.000000 9.693813\nLi V F\n4 4 24\ndirect\n0.014668 0.875881 0.119119 Li\n0.514668 0.375881 0.380881 Li\n0.014668 0.624119 0.619119 Li\n0.514668 0.124119 0.880881 Li\n0.000126 0.247350 0.128619 V\n0.500126 0.747350 0.371381 V\n0.000126 0.252650 0.628619 V\n0.500126 0.752650 0.871381 V\n0.829252 0.104588 0.015259 F\n0.291182 0.243034 0.015041 F\n0.855497 0.396576 0.031878 F\n0.129876 0.074464 0.215309 F\n0.178274 0.370623 0.246456 F\n0.715438 0.245069 0.246026 F\n0.215438 0.745069 0.253974 F\n0.678274 0.870623 0.253544 F\n0.629876 0.574464 0.284691 F\n0.355497 0.896576 0.468122 F\n0.791182 0.743034 0.484959 F\n0.329252 0.604588 0.484741 F\n0.829252 0.395412 0.515259 F\n0.291182 0.256966 0.515041 F\n0.855497 0.103424 0.531878 F\n0.129876 0.425536 0.715309 F\n0.178274 0.129377 0.746456 F\n0.715438 0.254931 0.746026 F\n0.215438 0.754931 0.753974 F\n0.678274 0.629377 0.753544 F\n0.629876 0.925536 0.784691 F\n0.355497 0.603424 0.968122 F\n0.791182 0.756966 0.984959 F\n0.329252 0.895412 0.984741 F\n",
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"formula_full": "Li4 V4 F24",
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"spacegroup": 33
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{
"id": "mp-1079207",
"created_at": "2022-09-04T14:39:32.702299Z",
"structure_string": "Ti3 O6\n1.0\n2.665720 -4.617163 0.000000\n2.665720 4.617163 0.000000\n0.000000 0.000000 3.131580\nTi O\n3 6\ndirect\n0.666667 0.333333 0.500000 Ti\n0.333333 0.666667 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.737396 0.737396 0.500000 O\n0.262604 0.000000 0.500000 O\n0.000000 0.262604 0.500000 O\n0.398207 0.398207 0.000000 O\n0.601793 0.000000 0.000000 O\n0.000000 0.601793 0.000000 O\n",
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"volume": 77.08737257123106,
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"formula_full": "Ti3 O6",
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{
"id": "mp-19188",
"created_at": "2022-09-04T14:40:12.135273Z",
"structure_string": "Ba6 Mn4 O16\n1.0\n-3.116687 4.901911 0.000000\n-7.709704 -4.901911 4.214162\n2.289363 4.897368 5.881488\nBa Mn O\n6 4 16\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.311275 0.896242 0.377450 Ba\n0.811275 0.396242 0.377450 Ba\n0.188725 0.603758 0.622550 Ba\n0.688725 0.103758 0.622550 Ba\n0.610812 0.796396 0.778376 Mn\n0.389188 0.203604 0.221624 Mn\n0.110812 0.296396 0.778376 Mn\n0.889188 0.703604 0.221624 Mn\n0.493566 0.835478 0.012868 O\n0.993566 0.335478 0.012868 O\n0.006434 0.664522 0.987132 O\n0.506434 0.164522 0.987132 O\n0.090260 0.636580 0.303017 O\n0.590260 0.136580 0.303017 O\n0.606723 0.636580 0.303017 O\n0.106723 0.136580 0.303017 O\n0.848491 0.878349 0.303017 O\n0.348491 0.378349 0.303017 O\n0.651509 0.621651 0.696983 O\n0.151509 0.121651 0.696983 O\n0.893277 0.863420 0.696983 O\n0.393277 0.363420 0.696983 O\n0.409740 0.863420 0.696983 O\n0.909740 0.363420 0.696983 O\n",
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"formula_full": "Ba6 Mn4 O16",
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{
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"structure_string": "Tl1 F1\n1.0\n0.000000 2.840732 2.840732\n2.840732 0.000000 2.840732\n2.840732 2.840732 0.000000\nTl F\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 F\n",
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"spacegroup": 225
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{
"id": "mp-972112",
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"structure_string": "Sr4 Mg2 U2 O12\n1.0\n5.876014 0.000000 0.000000\n0.000000 5.851471 0.000000\n0.000000 5.806781 8.260353\nSr Mg U O\n4 2 2 12\ndirect\n0.031674 0.261377 0.747793 Sr\n0.531674 0.738623 0.752207 Sr\n0.468326 0.261377 0.247793 Sr\n0.968326 0.738623 0.252207 Sr\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 U\n0.720972 0.259045 0.456089 O\n0.784943 0.679657 0.540166 O\n0.279028 0.740955 0.543911 O\n0.980997 0.832399 0.746952 O\n0.480997 0.167601 0.753048 O\n0.779028 0.259045 0.956089 O\n0.284943 0.320343 0.959834 O\n0.715057 0.679657 0.040166 O\n0.220972 0.740955 0.043911 O\n0.519003 0.832399 0.246952 O\n0.019003 0.167601 0.253048 O\n0.215057 0.320343 0.459834 O\n",
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{
"id": "mp-1034107",
"created_at": "2022-09-04T14:39:20.540578Z",
"structure_string": "Rb1 Mg14 Sb1 O16\n1.0\n8.758596 0.000000 0.000000\n0.000000 8.891654 0.000000\n0.000000 0.000000 4.523985\nRb Mg Sb O\n1 14 1 16\ndirect\n-0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.238686 0.500000 Mg\n-0.000000 0.761314 0.500000 Mg\n0.500000 0.247527 0.500000 Mg\n0.500000 0.752473 0.500000 Mg\n0.255908 0.000000 0.500000 Mg\n0.261202 0.500000 0.500000 Mg\n0.744092 0.000000 0.500000 Mg\n0.738798 0.500000 0.500000 Mg\n0.260715 0.243724 0.000000 Mg\n0.260715 0.756276 0.000000 Mg\n0.739285 0.243724 0.000000 Mg\n0.739285 0.756276 -0.000000 Mg\n-0.000000 0.500000 0.000000 Sb\n0.281439 0.000000 0.000000 O\n0.266087 0.500000 0.000000 O\n0.718561 0.000000 0.000000 O\n0.733913 0.500000 0.000000 O\n0.249908 0.251216 0.500000 O\n0.249908 0.748784 0.500000 O\n0.750092 0.251216 0.500000 O\n0.750092 0.748784 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.265101 -0.000000 O\n-0.000000 0.734899 0.000000 O\n0.500000 0.255892 0.000000 O\n0.500000 0.744108 0.000000 O\n",
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"formula_full": "Rb1 Mg14 Sb1 O16",
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{
"id": "mp-1233228",
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"structure_string": "Mg1 Sc4 Si4 O14\n1.0\n5.900981 0.111735 3.589396\n2.072339 5.526253 3.589396\n0.158017 0.111735 6.905097\nMg Sc Si O\n1 4 4 14\ndirect\n0.238119 0.238119 0.238119 Mg\n0.961294 0.526134 0.961294 Sc\n0.526134 0.961294 0.961294 Sc\n0.961294 0.961294 0.526134 Sc\n0.002786 0.002786 0.002786 Sc\n0.505940 0.997628 0.505940 Si\n0.997628 0.505940 0.505940 Si\n0.505940 0.505940 0.997628 Si\n0.505305 0.505305 0.505305 Si\n0.423218 0.819827 0.819827 O\n0.175059 0.576034 0.576034 O\n0.819827 0.423218 0.819827 O\n0.819827 0.819827 0.423218 O\n0.424559 0.424559 0.833973 O\n0.424559 0.833973 0.424559 O\n0.187850 0.575162 0.187850 O\n0.576034 0.175059 0.576034 O\n0.124432 0.124432 0.124432 O\n0.887176 0.887176 0.887176 O\n0.833973 0.424559 0.424559 O\n0.576034 0.576034 0.175059 O\n0.187850 0.187850 0.575162 O\n0.575162 0.187850 0.187850 O\n",
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{
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"elements": [
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],
"chemical_system": "C-Cl-H-N-Pd",
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"formula_full": "H48 Pd4 C8 N24 Cl16",
"formula_reduced": "H12PdC2(N3Cl2)2",
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"updated_at": "2021-11-28T01:34:30.773000Z",
"spacegroup": 86
},
{
"id": "mp-1033873",
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"structure_string": "Ba1 Mg14 C1 O16\n1.0\n8.754181 0.000000 0.000000\n0.000000 8.639559 0.000000\n0.000000 0.000000 4.493575\nBa Mg C O\n1 14 1 16\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.266349 0.500000 Mg\n-0.000000 0.733651 0.500000 Mg\n0.500000 0.252693 0.500000 Mg\n0.500000 0.747307 0.500000 Mg\n0.263690 0.000000 0.500000 Mg\n0.247773 0.500000 0.500000 Mg\n0.736310 0.000000 0.500000 Mg\n0.752227 0.500000 0.500000 Mg\n0.257053 0.260105 0.000000 Mg\n0.257053 0.739895 0.000000 Mg\n0.742947 0.260105 -0.000000 Mg\n0.742947 0.739895 0.000000 Mg\n-0.000000 0.500000 0.000000 C\n0.280171 0.000000 0.000000 O\n0.259500 0.500000 0.000000 O\n0.719829 0.000000 -0.000000 O\n0.740500 0.500000 -0.000000 O\n0.248332 0.250236 0.500000 O\n0.248332 0.749764 0.500000 O\n0.751668 0.250236 0.500000 O\n0.751668 0.749764 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.283487 -0.000000 O\n-0.000000 0.716513 0.000000 O\n0.500000 0.256807 0.000000 O\n0.500000 0.743193 0.000000 O\n",
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{
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}
]
}