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{
"id": "mp-1186025",
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{
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},
{
"id": "mp-1266205",
"created_at": "2022-09-04T14:45:30.250870Z",
"structure_string": "Li6 V2 Si8 H4 O24\n1.0\n7.533659 -0.029403 -0.242297\n0.160931 8.105669 0.018903\n0.669153 3.862559 8.337361\nLi V Si H O\n6 2 8 4 24\ndirect\n0.088892 0.733191 0.149717 Li\n0.383658 0.780979 0.332127 Li\n0.328799 0.350026 0.890922 Li\n0.671201 0.649974 0.109078 Li\n0.616342 0.219021 0.667873 Li\n0.911108 0.266809 0.850283 Li\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.121262 0.062408 0.165581 Si\n0.237985 0.305513 0.315449 Si\n0.249907 0.110951 0.686726 Si\n0.395334 0.732750 0.821487 Si\n0.604666 0.267250 0.178513 Si\n0.750093 0.889049 0.313274 Si\n0.762015 0.694488 0.684551 Si\n0.878738 0.937592 0.834419 Si\n0.173671 0.629003 0.592891 H\n0.218436 0.491619 0.515340 H\n0.781564 0.508381 0.484660 H\n0.826329 0.370997 0.407109 H\n0.080954 0.247595 0.009691 O\n0.110237 0.471981 0.211281 O\n0.051738 0.076925 0.773956 O\n0.180926 0.111136 0.313316 O\n0.233949 0.618379 0.501330 O\n0.225577 0.274849 0.505311 O\n0.267419 0.927359 0.135976 O\n0.236795 0.583822 0.879366 O\n0.325899 0.926270 0.675869 O\n0.447989 0.350135 0.260086 O\n0.385050 0.183311 0.779512 O\n0.518566 0.222332 0.039897 O\n0.481434 0.777668 0.960103 O\n0.614950 0.816689 0.220488 O\n0.552011 0.649865 0.739914 O\n0.674101 0.073730 0.324131 O\n0.763205 0.416178 0.120634 O\n0.732581 0.072641 0.864024 O\n0.774423 0.725151 0.494689 O\n0.766051 0.381621 0.498670 O\n0.819074 0.888864 0.686684 O\n0.948262 0.923075 0.226044 O\n0.889763 0.528019 0.788719 O\n0.919046 0.752405 0.990309 O\n",
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"formula_full": "Li6 V2 Si8 H4 O24",
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"spacegroup": 2
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{
"id": "mp-1038490",
"created_at": "2022-09-04T14:45:30.264208Z",
"structure_string": "Mg30 Cd1 Bi1 O32\n1.0\n8.661938 0.000000 0.000000\n0.000000 8.661938 0.000000\n0.000000 0.000000 8.716977\nMg Cd Bi O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.258802 0.243951 Mg\n0.000000 0.258802 0.756049 Mg\n0.000000 0.741198 0.243951 Mg\n0.000000 0.741198 0.756049 Mg\n0.500000 0.250493 0.248977 Mg\n0.500000 0.250493 0.751023 Mg\n0.500000 0.749507 0.248977 Mg\n0.500000 0.749507 0.751023 Mg\n0.258802 0.000000 0.243951 Mg\n0.258802 0.000000 0.756049 Mg\n0.250493 0.500000 0.248977 Mg\n0.250493 0.500000 0.751023 Mg\n0.741198 0.000000 0.243951 Mg\n0.741198 0.000000 0.756049 Mg\n0.749507 0.500000 0.248977 Mg\n0.749507 0.500000 0.751023 Mg\n0.252024 0.252024 0.000000 Mg\n0.256921 0.256921 0.500000 Mg\n0.252024 0.747976 0.000000 Mg\n0.256921 0.743079 0.500000 Mg\n0.747976 0.252024 0.000000 Mg\n0.743079 0.256921 0.500000 Mg\n0.747976 0.747976 0.000000 Mg\n0.743079 0.743079 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Bi\n0.270141 0.000000 0.000000 O\n0.267971 0.000000 0.500000 O\n0.252650 0.500000 0.000000 O\n0.252332 0.500000 0.500000 O\n0.729859 0.000000 0.000000 O\n0.732029 0.000000 0.500000 O\n0.747350 0.500000 0.000000 O\n0.747668 0.500000 0.500000 O\n0.248916 0.248916 0.251674 O\n0.248916 0.248916 0.748326 O\n0.248916 0.751084 0.251674 O\n0.248916 0.751084 0.748326 O\n0.751084 0.248916 0.251674 O\n0.751084 0.248916 0.748326 O\n0.751084 0.751084 0.251674 O\n0.751084 0.751084 0.748326 O\n0.000000 0.000000 0.244390 O\n0.000000 0.000000 0.755610 O\n0.000000 0.500000 0.251178 O\n0.000000 0.500000 0.748822 O\n0.500000 0.000000 0.251178 O\n0.500000 0.000000 0.748822 O\n0.500000 0.500000 0.250891 O\n0.500000 0.500000 0.749109 O\n0.000000 0.270141 0.000000 O\n0.000000 0.267971 0.500000 O\n0.000000 0.729859 0.000000 O\n0.000000 0.732029 0.500000 O\n0.500000 0.252650 0.000000 O\n0.500000 0.252332 0.500000 O\n0.500000 0.747350 0.000000 O\n0.500000 0.747668 0.500000 O\n",
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],
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"spacegroup": 123
},
{
"id": "mp-1028084",
"created_at": "2022-09-04T14:45:30.276171Z",
"structure_string": "Mg14 Mn1 Cd1\n1.0\n6.301556 0.001162 0.000000\n-3.149771 5.455564 0.000000\n0.000000 0.000000 10.200213\nMg Mn Cd\n14 1 1\ndirect\n0.167129 0.333564 0.625000 Mg\n0.167556 0.833778 0.625000 Mg\n0.668483 0.332348 0.125000 Mg\n0.666241 0.332813 0.625000 Mg\n0.668483 0.836134 0.125000 Mg\n0.666241 0.833427 0.625000 Mg\n0.330146 0.168857 0.368239 Mg\n0.330146 0.168857 0.881761 Mg\n0.330146 0.661290 0.368239 Mg\n0.330146 0.661290 0.881761 Mg\n0.838832 0.169417 0.371146 Mg\n0.838832 0.169417 0.878854 Mg\n0.833994 0.666998 0.374381 Mg\n0.833994 0.666998 0.875619 Mg\n0.162521 0.331260 0.125000 Mn\n0.167106 0.833553 0.125000 Cd\n",
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"formula_full": "Mg14 Mn1 Cd1",
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{
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"structure_string": "Na10 Mn4 P4 C4 O28\n1.0\n9.032150 0.000000 0.107643\n0.000000 6.603558 0.000000\n0.094815 0.000000 10.556595\nNa Mn P C O\n10 4 4 4 28\ndirect\n0.077387 0.250000 0.885450 Na\n0.253931 0.007222 0.615056 Na\n0.253931 0.492778 0.615056 Na\n0.242476 0.999711 0.132346 Na\n0.242476 0.500289 0.132346 Na\n0.746069 0.507222 0.884944 Na\n0.746069 0.992778 0.884944 Na\n0.757524 0.499711 0.367654 Na\n0.757524 0.000289 0.367654 Na\n0.922613 0.750000 0.614550 Na\n0.353880 0.750000 0.890176 Mn\n0.357379 0.750000 0.387740 Mn\n0.646120 0.250000 0.609824 Mn\n0.642621 0.250000 0.112260 Mn\n0.419392 0.250000 0.850199 P\n0.423914 0.250000 0.351486 P\n0.580608 0.750000 0.649801 P\n0.576086 0.750000 0.148514 P\n0.066078 0.750000 0.859876 C\n0.069678 0.750000 0.369231 C\n0.933922 0.250000 0.640124 C\n0.930322 0.250000 0.130769 C\n0.075462 0.250000 0.647744 O\n0.071435 0.250000 0.123740 O\n0.134044 0.750000 0.967663 O\n0.145005 0.750000 0.476086 O\n0.149431 0.750000 0.756696 O\n0.148125 0.750000 0.266062 O\n0.322741 0.062778 0.887595 O\n0.322741 0.437222 0.887595 O\n0.333065 0.059238 0.389532 O\n0.333065 0.440762 0.389532 O\n0.444948 0.250000 0.702308 O\n0.430247 0.750000 0.584478 O\n0.445578 0.250000 0.202942 O\n0.422733 0.750000 0.085620 O\n0.569753 0.250000 0.915522 O\n0.555052 0.750000 0.797692 O\n0.577267 0.250000 0.414380 O\n0.554422 0.750000 0.297058 O\n0.677259 0.562778 0.612405 O\n0.677259 0.937222 0.612405 O\n0.666935 0.559238 0.110468 O\n0.666935 0.940762 0.110468 O\n0.850569 0.250000 0.743304 O\n0.851875 0.250000 0.233938 O\n0.865956 0.250000 0.532337 O\n0.854995 0.250000 0.023914 O\n0.924538 0.750000 0.852256 O\n0.928565 0.750000 0.376260 O\n",
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"formula_full": "Na10 Mn4 P4 C4 O28",
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{
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{
"id": "mp-775023",
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"structure_string": "Li4 Fe6 Sn2 O16\n1.0\n-3.006271 5.198215 -0.011809\n-3.006279 1.721600 4.904871\n6.317926 7.095543 5.017303\nLi Fe Sn O\n4 6 2 16\ndirect\n0.438096 0.438096 0.686307 Li\n0.938084 0.938084 0.186338 Li\n0.061916 0.061916 0.813662 Li\n0.561904 0.561904 0.313693 Li\n0.499999 0.499996 0.000000 Fe\n0.000002 0.499997 0.000000 Fe\n0.499996 0.000005 0.000000 Fe\n0.000001 0.000001 0.500000 Fe\n0.499998 0.000001 0.499999 Fe\n0.000004 0.499996 0.500000 Fe\n0.250020 0.250021 0.249984 Sn\n0.749980 0.749978 0.750017 Sn\n0.368324 0.368323 0.897031 O\n0.868324 0.868325 0.397038 O\n0.131676 0.131676 0.602961 O\n0.631676 0.631677 0.102970 O\n0.141323 0.601407 0.116157 O\n0.641313 0.101427 0.616165 O\n0.601408 0.141324 0.116157 O\n0.101426 0.641313 0.616165 O\n0.141125 0.141125 0.116651 O\n0.641127 0.641128 0.616657 O\n0.358873 0.358872 0.383343 O\n0.858875 0.858875 0.883349 O\n0.898574 0.358687 0.383835 O\n0.398593 0.858677 0.883843 O\n0.358687 0.898574 0.383835 O\n0.858677 0.398594 0.883843 O\n",
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{
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{
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"formula_full": "In4 H12 O12",
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{
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"structure_string": "Ho2 Fe1 As2 O1\n1.0\n3.212762 0.000000 0.000000\n0.000000 3.212762 0.000000\n0.000000 0.000000 14.906155\nHo Fe As O\n2 1 2 1\ndirect\n0.500000 0.500000 0.634336 Ho\n0.500000 0.500000 0.365664 Ho\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.165723 As\n0.500000 0.500000 0.834277 As\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-803574",
"created_at": "2022-09-04T14:45:30.384937Z",
"structure_string": "Li8 Al2 Cr6 O16\n1.0\n5.109276 0.000000 0.000000\n-1.682463 5.619655 0.000000\n-0.843457 -3.307767 10.004635\nLi Al Cr O\n8 2 6 16\ndirect\n0.999994 0.749585 0.000213 Li\n0.999696 0.377210 0.748937 Li\n0.000602 0.124141 0.251153 Li\n0.000000 0.500000 0.500000 Li\n0.000006 0.250415 0.999787 Li\n0.999398 0.875859 0.748847 Li\n0.000304 0.622790 0.251063 Li\n0.000000 0.000000 0.500000 Li\n0.500246 0.308686 0.376801 Al\n0.499754 0.691314 0.623199 Al\n0.499884 0.066921 0.872868 Cr\n0.499819 0.436435 0.126406 Cr\n0.499676 0.811210 0.376735 Cr\n0.500181 0.563565 0.873594 Cr\n0.500324 0.188790 0.623265 Cr\n0.500116 0.933079 0.127132 Cr\n0.283044 0.914459 0.443296 O\n0.720252 0.218486 0.313861 O\n0.272893 0.660191 0.938917 O\n0.727365 0.967341 0.809502 O\n0.720147 0.594387 0.563263 O\n0.278096 0.301172 0.684814 O\n0.272635 0.032659 0.190498 O\n0.727107 0.339809 0.061083 O\n0.279853 0.405613 0.436737 O\n0.721904 0.698828 0.315186 O\n0.272821 0.158081 0.939939 O\n0.721535 0.477649 0.802291 O\n0.279748 0.781514 0.686139 O\n0.278465 0.522351 0.197709 O\n0.716956 0.085541 0.556704 O\n0.727179 0.841919 0.060061 O\n",
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