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{
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{
"id": "mp-1100595",
"created_at": "2022-09-04T14:40:57.550645Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.896412 0.000000 0.000000\n0.000000 9.803031 0.000000\n0.000000 1.608561 10.178097\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.261168 0.873106 Li\n0.500000 0.741208 0.620064 Li\n0.500000 0.256217 0.376272 Li\n0.000000 0.264114 0.603524 Li\n0.000000 0.733949 0.388238 Li\n0.000000 0.259193 0.129832 Li\n0.500000 0.734072 0.129527 Li\n0.000000 0.744920 0.874331 Li\n0.500000 0.503694 0.500104 Li\n0.000000 0.001391 0.999464 Mn\n0.000000 0.503436 0.742071 Mn\n0.000000 0.998368 0.501283 Co\n0.000000 0.492145 0.270828 Co\n0.500000 0.997370 0.252475 Co\n0.500000 0.500643 0.005096 Co\n0.500000 0.002434 0.747382 Co\n0.500000 0.115011 0.049907 O\n0.500000 0.612238 0.808773 O\n0.500000 0.117166 0.558348 O\n0.000000 0.104048 0.821770 O\n0.000000 0.615010 0.581342 O\n0.000000 0.106237 0.308274 O\n0.500000 0.620075 0.306045 O\n0.000000 0.617225 0.055557 O\n0.500000 0.387043 0.696143 O\n0.500000 0.882665 0.441226 O\n0.500000 0.384100 0.182579 O\n0.000000 0.377494 0.425869 O\n0.000000 0.899256 0.179478 O\n0.000000 0.390735 0.929496 O\n0.500000 0.886628 0.950477 O\n0.000000 0.890747 0.691117 O\n",
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{
"id": "mp-758563",
"created_at": "2022-09-04T14:40:57.696737Z",
"structure_string": "Li4 Cr3 Co3 Ni2 O16\n1.0\n2.883767 4.978996 0.000000\n-2.883767 4.978996 0.000000\n0.000000 0.001508 9.564536\nLi Cr Co Ni O\n4 3 3 2 16\ndirect\n0.669917 0.669917 0.891538 Li\n0.994743 0.994743 0.996439 Li\n0.995318 0.995318 0.498872 Li\n0.336823 0.336823 0.396226 Li\n0.831505 0.336239 0.214431 Cr\n0.336239 0.831505 0.214431 Cr\n0.168657 0.168657 0.714449 Cr\n0.830641 0.830641 0.214180 Co\n0.663010 0.168755 0.713474 Co\n0.168755 0.663010 0.713474 Co\n0.666609 0.666609 0.491501 Ni\n0.333129 0.333129 0.989328 Ni\n0.839811 0.316724 0.608794 O\n0.518412 0.518412 0.328781 O\n0.669305 0.669305 0.104071 O\n0.995035 0.995035 0.314588 O\n0.995007 0.995007 0.811660 O\n0.316724 0.839811 0.608794 O\n0.964382 0.521441 0.328936 O\n0.521441 0.964382 0.328936 O\n0.159427 0.159427 0.107895 O\n0.840890 0.840890 0.612852 O\n0.485111 0.036960 0.826686 O\n0.036960 0.485111 0.826686 O\n0.337285 0.337285 0.607351 O\n0.681842 0.156471 0.109435 O\n0.481671 0.481671 0.824601 O\n0.156471 0.681842 0.109435 O\n",
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"formula_full": "Li4 Cr3 Co3 Ni2 O16",
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"spacegroup": 8
},
{
"id": "mp-1198930",
"created_at": "2022-09-04T14:40:57.555317Z",
"structure_string": "Li4 Ga4 Se8 O24\n1.0\n-5.366974 5.366974 5.009729\n5.366974 -5.366974 5.009729\n5.366974 5.366974 -5.009729\nLi Ga Se O\n4 4 8 24\ndirect\n0.689228 0.875000 0.314228 Li\n0.560772 0.375000 0.685772 Li\n0.625000 0.310772 0.185772 Li\n0.125000 0.439228 0.814228 Li\n0.412674 0.875000 0.037674 Ga\n0.837326 0.375000 0.962326 Ga\n0.625000 0.587326 0.462326 Ga\n0.125000 0.162674 0.537674 Ga\n0.855770 0.134551 0.171752 Se\n0.287201 0.615449 0.221219 Se\n0.962799 0.684018 0.828248 Se\n0.394230 0.065982 0.778781 Se\n0.315982 0.144230 0.278781 Se\n0.384551 0.605770 0.671752 Se\n0.865449 0.037201 0.721219 Se\n0.934018 0.712799 0.328248 Se\n0.680242 0.047701 0.220977 O\n0.423276 0.702299 0.132541 O\n0.826724 0.459265 0.779023 O\n0.569758 0.290735 0.867459 O\n0.540735 0.319758 0.367459 O\n0.297701 0.430242 0.720977 O\n0.952299 0.173276 0.632541 O\n0.709265 0.576724 0.279023 O\n0.840219 0.316096 0.158455 O\n0.092359 0.433904 0.024123 O\n0.157641 0.681764 0.841544 O\n0.409781 0.068236 0.975877 O\n0.318236 0.159781 0.475877 O\n0.566096 0.590219 0.658455 O\n0.683904 0.842359 0.524123 O\n0.931764 0.907641 0.341544 O\n0.042609 0.255048 0.377559 O\n0.372510 0.494952 0.287560 O\n0.877490 0.665050 0.622441 O\n0.207391 0.084950 0.712440 O\n0.334950 0.957391 0.212440 O\n0.505048 0.792609 0.877559 O\n0.744952 0.122510 0.787560 O\n0.915050 0.627490 0.122441 O\n",
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"formula_full": "Li4 Ga4 Se8 O24",
"formula_reduced": "LiGa(SeO3)2",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:34:59.240000Z",
"spacegroup": 122
},
{
"id": "mp-28695",
"created_at": "2022-09-04T14:40:57.559810Z",
"structure_string": "K4 Si4 H12\n1.0\n5.421335 0.000000 0.000000\n0.000000 6.899657 0.000000\n0.000000 0.000000 8.890044\nK Si H\n4 4 12\ndirect\n0.250000 0.344424 0.684527 K\n0.750000 0.655576 0.315473 K\n0.750000 0.844424 0.815473 K\n0.250000 0.155576 0.184527 K\n0.250000 0.850204 0.548512 Si\n0.750000 0.149796 0.451488 Si\n0.750000 0.350204 0.951488 Si\n0.250000 0.649796 0.048512 Si\n0.956960 0.300166 0.418505 H\n0.456960 0.699834 0.581495 H\n0.043040 0.800166 0.081495 H\n0.543040 0.199834 0.918505 H\n0.043040 0.699834 0.581495 H\n0.543040 0.300166 0.418505 H\n0.956960 0.199834 0.918505 H\n0.456960 0.800166 0.081495 H\n0.250000 0.692732 0.878193 H\n0.750000 0.307268 0.121807 H\n0.750000 0.192732 0.621807 H\n0.250000 0.807268 0.378193 H\n",
"nsites": 20,
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"volume": 332.5352249563117,
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"formula_full": "K4 Si4 H12",
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{
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"created_at": "2022-09-04T14:40:57.584234Z",
"structure_string": "Bi4 Pb12 Au4\n1.0\n11.510874 0.000000 0.000000\n0.000000 11.510874 0.000000\n0.000000 0.000000 4.500530\nBi Pb Au\n4 12 4\ndirect\n0.705898 0.294102 0.000000 Bi\n0.294102 0.705898 0.000000 Bi\n0.794102 0.794102 0.500000 Bi\n0.205898 0.205898 0.500000 Bi\n0.392048 0.392048 0.000000 Pb\n0.607952 0.607952 0.000000 Pb\n0.892048 0.107952 0.500000 Pb\n0.107952 0.892048 0.500000 Pb\n0.337736 0.001388 0.000000 Pb\n0.662264 0.998612 0.000000 Pb\n0.501388 0.162264 0.500000 Pb\n0.837736 0.498612 0.500000 Pb\n0.498612 0.837736 0.500000 Pb\n0.162264 0.501388 0.500000 Pb\n0.001388 0.337736 0.000000 Pb\n0.998612 0.662264 0.000000 Pb\n0.087151 0.087151 0.000000 Au\n0.912849 0.912849 0.000000 Au\n0.587151 0.412849 0.500000 Au\n0.412849 0.587151 0.500000 Au\n",
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"formula_full": "Bi4 Pb12 Au4",
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{
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"structure_string": "Zr4 Nb4 V4\n1.0\n-2.672758 -4.702081 0.000000\n-5.407571 0.035826 0.000000\n0.000000 0.000000 -8.695859\nZr Nb V\n4 4 4\ndirect\n0.333148 0.333156 0.557371 Zr\n0.667309 0.667310 0.429577 Zr\n0.667309 0.667310 0.070423 Zr\n0.333148 0.333156 0.942629 Zr\n0.997614 0.997541 0.487237 Nb\n0.997614 0.997541 0.012763 Nb\n0.829202 0.344426 0.750000 Nb\n0.344448 0.829196 0.750000 Nb\n0.830765 0.830789 0.750000 V\n0.176754 0.646372 0.250000 V\n0.646335 0.176801 0.250000 V\n0.176355 0.176401 0.250000 V\n",
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{
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"structure_string": "Cs1 Sm1 S2\n1.0\n8.174543 -2.099793 0.000000\n8.174543 2.099793 0.000000\n7.635170 0.000000 3.596730\nCs Sm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Sm\n0.771787 0.771787 0.771787 S\n0.228213 0.228213 0.228213 S\n",
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{
"id": "mp-1186660",
"created_at": "2022-09-04T14:40:57.790407Z",
"structure_string": "Pu1 Cd1 Hg2\n1.0\n0.000000 3.658318 3.658318\n3.658318 0.000000 3.658318\n3.658318 3.658318 0.000000\nPu Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"formula_full": "Pu1 Cd1 Hg2",
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{
"id": "mp-769573",
"created_at": "2022-09-04T14:40:57.587165Z",
"structure_string": "Li6 Ti6 V6 O24\n1.0\n-5.186221 -5.936153 -0.033884\n-2.704072 1.573995 7.308676\n-5.384215 6.082116 0.017588\nLi Ti V O\n6 6 6 24\ndirect\n0.754847 0.008031 0.239341 Li\n0.254839 0.008316 0.739085 Li\n0.501293 0.331151 0.169458 Li\n0.001383 0.331158 0.669686 Li\n0.741879 0.659556 0.595476 Li\n0.242050 0.659176 0.095520 Li\n0.858875 0.004118 0.620456 Ti\n0.358618 0.004062 0.119905 Ti\n0.897645 0.345495 0.298802 Ti\n0.397574 0.345489 0.798720 Ti\n0.625571 0.671256 0.204531 Ti\n0.125822 0.671581 0.704499 Ti\n0.128752 0.002211 0.376666 V\n0.611357 0.326076 0.531483 V\n0.872809 0.665265 0.955912 V\n0.628710 0.002124 0.876579 V\n0.111378 0.326233 0.031695 V\n0.372602 0.665066 0.455789 V\n0.799377 0.158997 0.741874 O\n0.299241 0.158997 0.241665 O\n0.044783 0.163123 0.516697 O\n0.544620 0.162997 0.016587 O\n0.050269 0.493084 0.167604 O\n0.550184 0.493030 0.667237 O\n0.795770 0.487244 0.427762 O\n0.295897 0.487202 0.927721 O\n0.789263 0.825181 0.090843 O\n0.289394 0.825359 0.590893 O\n0.555685 0.820951 0.334816 O\n0.055835 0.821258 0.834764 O\n0.709992 0.168707 0.403282 O\n0.209829 0.168835 0.902964 O\n0.947966 0.176478 0.178231 O\n0.447947 0.176482 0.678112 O\n0.708146 0.500308 0.099868 O\n0.208133 0.500502 0.599792 O\n0.450482 0.511198 0.311774 O\n0.950622 0.511439 0.812170 O\n0.448994 0.840337 0.001037 O\n0.949198 0.840408 0.501121 O\n0.709616 0.839973 0.739294 O\n0.209585 0.839923 0.239273 O\n",
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{
"id": "mp-1113563",
"created_at": "2022-09-04T14:40:57.637100Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n0.000000 5.552305 5.552305\n5.552305 0.000000 5.552305\n5.552305 5.552305 0.000000\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.770408 0.229592 0.229592 Br\n0.229592 0.229592 0.770408 Br\n0.229592 0.770408 0.770408 Br\n0.229592 0.770408 0.229592 Br\n0.770408 0.229592 0.770408 Br\n0.770408 0.770408 0.229592 Br\n",
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}