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{
"id": "mp-510126",
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{
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{
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"structure_string": "Na4 Zn1 Cd1 Si4 O12\n1.0\n0.000413 -3.617042 -3.781590\n0.000413 -3.617042 3.781590\n-10.999181 -3.613202 0.000000\nNa Zn Cd Si O\n4 1 1 4 12\ndirect\n0.356486 0.323741 0.355047 Na\n0.676259 0.643514 0.644953 Na\n0.449262 0.926074 0.159029 Na\n0.073926 0.550738 0.840971 Na\n0.237761 0.762239 0.500000 Zn\n0.488435 0.511565 0.000000 Cd\n0.831113 0.904798 0.334684 Si\n0.095202 0.168887 0.665316 Si\n0.921226 0.485090 0.175112 Si\n0.514910 0.078774 0.824888 Si\n0.616167 0.867180 0.462040 O\n0.132820 0.383833 0.537960 O\n0.872824 0.575249 0.039523 O\n0.424751 0.127176 0.960477 O\n0.759589 0.664424 0.267153 O\n0.335576 0.240411 0.732847 O\n0.776055 0.178333 0.238896 O\n0.821667 0.223945 0.761104 O\n0.134643 0.918614 0.346467 O\n0.081386 0.865357 0.653533 O\n0.230998 0.505057 0.177423 O\n0.494943 0.769002 0.822577 O\n",
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"chemical_system": "Cd-Na-O-Si-Zn",
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"spacegroup": 5
},
{
"id": "mp-1026667",
"created_at": "2022-09-04T14:46:12.790121Z",
"structure_string": "Rb1 Na1 Mg14\n1.0\n6.736888 0.000000 0.000000\n-3.368444 5.834315 0.000000\n0.000000 0.000000 10.545821\nRb Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Rb\n0.166667 0.333333 0.125000 Na\n0.169137 0.834568 0.125000 Mg\n0.172590 0.836295 0.625000 Mg\n0.665432 0.330863 0.125000 Mg\n0.663705 0.327410 0.625000 Mg\n0.665432 0.834568 0.125000 Mg\n0.663705 0.836295 0.625000 Mg\n0.341617 0.158383 0.364584 Mg\n0.341617 0.158383 0.885416 Mg\n0.341617 0.683234 0.364584 Mg\n0.341617 0.683234 0.885416 Mg\n0.816766 0.158383 0.364584 Mg\n0.816766 0.158383 0.885416 Mg\n0.833333 0.666667 0.377784 Mg\n0.833333 0.666667 0.872216 Mg\n",
"nsites": 16,
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"elements": [
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"density": 1.7976380584518201,
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"volume": 414.5048306841178,
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"formula_full": "Rb1 Na1 Mg14",
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"spacegroup": 187
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{
"id": "mp-1219900",
"created_at": "2022-09-04T14:46:12.793093Z",
"structure_string": "Pr2 U1 P3\n1.0\n-2.049524 2.907047 6.207737\n2.049524 -2.907047 6.207737\n2.049524 2.907047 -6.207737\nPr U P\n2 1 3\ndirect\n0.668256 0.668256 0.000000 Pr\n0.331744 0.331744 0.000000 Pr\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 P\n0.154005 0.654005 0.500000 P\n0.845995 0.345995 0.500000 P\n",
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"elements": [
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"U",
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"density": 6.877728662197112,
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"volume": 147.9443424927839,
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"formula_full": "Pr2 U1 P3",
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"updated_at": "2021-11-28T01:37:20.677000Z",
"spacegroup": 71
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{
"id": "mp-1100430",
"created_at": "2022-09-04T14:46:12.852687Z",
"structure_string": "Li1 Zn1 Sb1\n1.0\n0.000000 3.203801 3.203801\n3.203801 0.000000 3.203801\n3.203801 3.203801 0.000000\nLi Zn Sb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sb\n",
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"volume": 65.76981094376985,
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"formula_full": "Li1 Zn1 Sb1",
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"spacegroup": 216
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{
"id": "mp-30591",
"created_at": "2022-09-04T14:46:30.713300Z",
"structure_string": "Li2 Cu1 Sn1\n1.0\n0.000000 3.145656 3.145656\n3.145656 0.000000 3.145656\n3.145656 3.145656 0.000000\nLi Cu Sn\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Sn\n",
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"volume": 62.25348644540491,
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"formula_full": "Li2 Cu1 Sn1",
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{
"id": "mp-1218306",
"created_at": "2022-09-04T14:46:12.796568Z",
"structure_string": "Sr2 La6 Mn8 O20\n1.0\n2.789829 8.660585 0.000000\n-2.789829 8.660585 0.000000\n0.000000 3.850698 10.920651\nSr La Mn O\n2 6 8 20\ndirect\n0.606753 0.620247 0.187369 Sr\n0.620247 0.606753 0.687369 Sr\n0.876573 0.902694 0.043689 La\n0.092017 0.133249 0.456727 La\n0.133249 0.092017 0.956727 La\n0.902694 0.876573 0.543689 La\n0.379209 0.401841 0.315275 La\n0.401841 0.379209 0.815275 La\n0.502925 0.500110 0.001042 Mn\n0.500110 0.502925 0.501042 Mn\n0.711533 0.789261 0.346724 Mn\n0.205771 0.292796 0.152640 Mn\n0.292796 0.205771 0.652640 Mn\n0.789261 0.711533 0.846724 Mn\n0.000973 0.002711 0.249605 Mn\n0.002711 0.000973 0.749605 Mn\n0.836978 0.677358 0.170817 O\n0.324795 0.176372 0.327950 O\n0.176372 0.324795 0.827950 O\n0.677358 0.836978 0.670817 O\n0.142407 0.125778 0.145926 O\n0.886690 0.844928 0.351630 O\n0.844928 0.886690 0.851630 O\n0.125778 0.142407 0.645926 O\n0.243153 0.730026 0.628539 O\n0.261035 0.747977 0.878119 O\n0.747977 0.261035 0.378119 O\n0.730026 0.243153 0.128539 O\n0.232658 0.726024 0.129693 O\n0.263532 0.767723 0.376301 O\n0.767723 0.263532 0.876301 O\n0.726024 0.232658 0.629693 O\n0.400781 0.318806 0.027579 O\n0.687020 0.587294 0.460377 O\n0.587294 0.687020 0.960377 O\n0.318806 0.400781 0.527579 O\n",
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"formula_full": "Sr2 La6 Mn8 O20",
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{
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{
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"created_at": "2022-09-04T14:46:12.814617Z",
"structure_string": "Sr1 Cu1 Se4 O12\n1.0\n0.000000 -3.734917 -4.305619\n0.000000 -3.734917 4.305619\n-7.476773 0.000000 0.000000\nSr Cu Se O\n1 1 4 12\ndirect\n0.048597 0.951403 0.500000 Sr\n0.504891 0.495109 0.000000 Cu\n0.538485 0.974465 0.241999 Se\n0.538485 0.974465 0.758001 Se\n0.025535 0.461515 0.758001 Se\n0.025535 0.461515 0.241999 Se\n0.157126 0.222503 0.241912 O\n0.777497 0.842874 0.241912 O\n0.777497 0.842874 0.758088 O\n0.157126 0.222503 0.758088 O\n0.294340 0.705660 0.300314 O\n0.671683 0.328317 0.172206 O\n0.671683 0.328317 0.827794 O\n0.294340 0.705660 0.699686 O\n0.451475 0.894289 0.000000 O\n0.516669 0.052475 0.500000 O\n0.105711 0.548525 0.000000 O\n0.947525 0.483331 0.500000 O\n",
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"formula_full": "Sr1 Cu1 Se4 O12",
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{
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"elements": [
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],
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"updated_at": "2021-11-28T01:37:24.905000Z",
"spacegroup": 15
},
{
"id": "mp-1209723",
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}
]
}