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{
"id": "mp-1112879",
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{
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"structure_string": "Ti1 Cr2 Ni3 P6 O24\n1.0\n7.204139 -4.320442 0.000000\n7.204139 4.320442 0.000000\n4.613099 0.000000 7.020339\nTi Cr Ni P O\n1 2 3 6 24\ndirect\n0.853137 0.853137 0.853137 Ti\n0.000835 0.000835 0.000835 Cr\n0.501886 0.501886 0.501886 Cr\n0.144631 0.144631 0.144631 Ni\n0.358712 0.358712 0.358712 Ni\n0.643114 0.643114 0.643114 Ni\n0.948771 0.548526 0.251605 P\n0.251605 0.948771 0.548526 P\n0.548526 0.251605 0.948771 P\n0.448943 0.747542 0.050210 P\n0.747542 0.050210 0.448943 P\n0.050210 0.448943 0.747542 P\n0.513107 0.325025 0.102149 O\n0.102149 0.513107 0.325025 O\n0.249690 0.904137 0.060657 O\n0.325025 0.102149 0.513107 O\n0.611316 0.826952 0.988545 O\n0.443420 0.601036 0.252372 O\n0.904137 0.060657 0.249690 O\n0.601036 0.252372 0.443420 O\n0.996863 0.397654 0.173873 O\n0.252372 0.443420 0.601036 O\n0.934404 0.754332 0.092507 O\n0.173873 0.996863 0.397654 O\n0.826952 0.988545 0.611316 O\n0.060657 0.249690 0.904137 O\n0.745400 0.568301 0.400835 O\n0.988545 0.611316 0.826952 O\n0.400835 0.745400 0.568301 O\n0.092507 0.934404 0.754332 O\n0.568301 0.400835 0.745400 O\n0.397654 0.173873 0.996863 O\n0.665482 0.902500 0.491533 O\n0.754332 0.092507 0.934404 O\n0.902500 0.491533 0.665482 O\n0.491533 0.665482 0.902500 O\n",
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"formula_full": "Ti1 Cr2 Ni3 P6 O24",
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"spacegroup": 146
},
{
"id": "mp-554243",
"created_at": "2022-09-04T14:47:11.903906Z",
"structure_string": "Si6 O12\n1.0\n3.681413 -6.376394 0.000000\n3.681413 6.376394 0.000000\n0.000000 0.000000 7.051009\nSi O\n6 12\ndirect\n0.534369 0.767185 0.416667 Si\n0.465631 0.232815 0.916667 Si\n0.232815 0.465631 0.750000 Si\n0.767185 0.232815 0.583333 Si\n0.767185 0.534369 0.250000 Si\n0.232815 0.767185 0.083333 Si\n0.611807 0.388193 0.083333 O\n0.000000 0.684501 0.166667 O\n0.776385 0.388193 0.416667 O\n0.684501 0.684501 0.333333 O\n0.315499 0.315499 0.833333 O\n0.611807 0.223615 0.750000 O\n0.223615 0.611807 0.916667 O\n0.315499 0.000000 0.000000 O\n0.000000 0.315499 0.666667 O\n0.388193 0.776385 0.250000 O\n0.388193 0.611807 0.583333 O\n0.684501 0.000000 0.500000 O\n",
"nsites": 18,
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"elements": [
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"formula_full": "Si6 O12",
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{
"id": "mp-1216527",
"created_at": "2022-09-04T14:47:11.947851Z",
"structure_string": "Tl1 In1\n1.0\n5.666554 -1.732604 0.000000\n5.666554 1.732604 0.000000\n5.136793 0.000000 2.953829\nTl In\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
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"updated_at": "2021-11-28T01:38:00.144000Z",
"spacegroup": 166
},
{
"id": "mp-1028010",
"created_at": "2022-09-04T14:47:11.958743Z",
"structure_string": "Mg14 Zr1 Fe1\n1.0\n6.362877 0.110203 0.000000\n-3.086000 5.345109 0.000000\n0.000000 0.000000 10.072534\nMg Zr Fe\n14 1 1\ndirect\n0.167721 0.333860 0.625000 Mg\n0.163875 0.831937 0.625000 Mg\n0.654376 0.319793 0.125000 Mg\n0.663506 0.334254 0.625000 Mg\n0.654376 0.834582 0.125000 Mg\n0.663506 0.829251 0.625000 Mg\n0.331835 0.162380 0.366422 Mg\n0.331835 0.162380 0.883578 Mg\n0.331835 0.669456 0.366422 Mg\n0.331835 0.669456 0.883578 Mg\n0.840418 0.170209 0.377815 Mg\n0.840418 0.170209 0.872185 Mg\n0.852183 0.676092 0.357865 Mg\n0.852183 0.676092 0.892135 Mg\n0.151231 0.325615 0.125000 Zr\n0.168867 0.834433 0.125000 Fe\n",
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"density": 2.3388924983549777,
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"volume": 345.9951446023906,
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{
"id": "mp-1219652",
"created_at": "2022-09-04T14:47:11.963273Z",
"structure_string": "Rb6 H2 Se4 O16\n1.0\n0.000000 6.220018 0.000000\n0.023018 3.110009 7.931934\n10.472617 0.000000 -2.360947\nRb H Se O\n6 2 4 16\ndirect\n0.756638 0.997042 0.249760 Rb\n0.246319 0.997042 0.749760 Rb\n0.926368 0.613355 0.848078 Rb\n0.460277 0.613355 0.348078 Rb\n0.072287 0.388958 0.152189 Rb\n0.538755 0.388958 0.652189 Rb\n0.023910 0.000631 0.492056 H\n0.975459 0.000631 0.992056 H\n0.340188 0.769496 0.036748 Se\n0.890315 0.769496 0.536748 Se\n0.657775 0.235209 0.964166 Se\n0.107016 0.235209 0.464166 Se\n0.174646 0.684485 0.099961 O\n0.140868 0.684485 0.599961 O\n0.829231 0.312803 0.899703 O\n0.857966 0.312803 0.399703 O\n0.177762 0.985632 0.055433 O\n0.836606 0.985632 0.555433 O\n0.818554 0.011623 0.942453 O\n0.169824 0.011623 0.442453 O\n0.582251 0.743857 0.111032 O\n0.673892 0.743857 0.611032 O\n0.421553 0.251588 0.888713 O\n0.326859 0.251588 0.388713 O\n0.398056 0.689567 0.879793 O\n0.912377 0.689567 0.379793 O\n0.604711 0.307753 0.120914 O\n0.087536 0.307753 0.620914 O\n",
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"formula_full": "Rb6 H2 Se4 O16",
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{
"id": "mp-1043448",
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"structure_string": "Mg2 Ni6 P8 O28\n1.0\n7.497616 0.000000 0.000000\n0.000000 7.265296 0.000000\n0.000000 3.608804 8.772886\nMg Ni P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.128396 0.814471 0.522964 Ni\n0.628396 0.185529 0.977036 Ni\n0.871604 0.185529 0.477036 Ni\n0.371604 0.814471 0.022964 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.922969 0.411437 0.704201 P\n0.422969 0.588563 0.795799 P\n0.077031 0.588563 0.295799 P\n0.577031 0.411437 0.204201 P\n0.206676 0.130955 0.687159 P\n0.706676 0.869045 0.812841 P\n0.793324 0.869045 0.312841 P\n0.293324 0.130955 0.187159 P\n0.382749 0.193626 0.599428 O\n0.882749 0.806374 0.900572 O\n0.617251 0.806374 0.400572 O\n0.117251 0.193626 0.099428 O\n0.378687 0.719939 0.625867 O\n0.878687 0.280061 0.874133 O\n0.621313 0.280061 0.374133 O\n0.121313 0.719939 0.125867 O\n0.787027 0.385397 0.593223 O\n0.287027 0.614603 0.906777 O\n0.212973 0.614603 0.406777 O\n0.712973 0.385397 0.093223 O\n0.112960 0.335037 0.670481 O\n0.612960 0.664963 0.829519 O\n0.887040 0.664963 0.329519 O\n0.387040 0.335037 0.170481 O\n0.530707 0.619677 0.193226 O\n0.030707 0.380323 0.306774 O\n0.469293 0.380323 0.806774 O\n0.969293 0.619677 0.693226 O\n0.784833 0.983833 0.140011 O\n0.284833 0.016167 0.359989 O\n0.215167 0.016167 0.859989 O\n0.715167 0.983833 0.640011 O\n0.417625 0.031765 0.109118 O\n0.917625 0.968235 0.390882 O\n0.582375 0.968235 0.890882 O\n0.082375 0.031765 0.609118 O\n",
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{
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{
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{
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{
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},
{
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}
]
}