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{
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{
"id": "mp-1191521",
"created_at": "2022-09-04T14:44:24.088700Z",
"structure_string": "Pr6 Mn2 Ga2 S14\n1.0\n5.079523 -8.797991 0.000000\n5.079523 8.797991 0.000000\n0.000000 0.000000 6.069651\nPr Mn Ga S\n6 2 2 14\ndirect\n0.625345 0.859781 0.250896 Pr\n0.140219 0.765564 0.250896 Pr\n0.234436 0.374655 0.250896 Pr\n0.374655 0.140219 0.750896 Pr\n0.859781 0.234436 0.750896 Pr\n0.765564 0.625345 0.750896 Pr\n0.000000 0.000000 0.476111 Mn\n0.000000 0.000000 0.976111 Mn\n0.333333 0.666667 0.829188 Ga\n0.666667 0.333333 0.329188 Ga\n0.763113 0.910545 0.716462 S\n0.089455 0.852568 0.716462 S\n0.147432 0.236887 0.716462 S\n0.236887 0.089455 0.216462 S\n0.910545 0.147432 0.216462 S\n0.852568 0.763113 0.216462 S\n0.483212 0.580480 0.981856 S\n0.419520 0.902732 0.981856 S\n0.097268 0.516788 0.981856 S\n0.516788 0.419520 0.481856 S\n0.580480 0.097268 0.481856 S\n0.902732 0.483212 0.481856 S\n0.333333 0.666667 0.459020 S\n0.666667 0.333333 0.959020 S\n",
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{
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"structure_string": "La4 Re2 O10\n1.0\n-4.495261 4.495261 3.029578\n4.495261 -4.495261 3.029578\n4.495261 4.495261 -3.029578\nLa Re O\n4 2 10\ndirect\n0.818169 0.395005 0.213174 La\n0.395005 0.181831 0.576837 La\n0.604995 0.818169 0.423163 La\n0.181831 0.604995 0.786826 La\n0.187918 0.187918 0.000000 Re\n0.812082 0.812082 0.000000 Re\n0.354017 0.070562 0.907565 O\n0.070562 0.162997 0.716545 O\n0.446452 0.354017 0.283455 O\n0.162997 0.446452 0.092435 O\n0.645983 0.929438 0.092435 O\n0.929438 0.837003 0.283455 O\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.837003 0.553548 0.907565 O\n0.553548 0.645983 0.716545 O\n",
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"formula_full": "La4 Re2 O10",
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"updated_at": "2021-11-28T01:36:36.418000Z",
"spacegroup": 87
},
{
"id": "mp-1371109",
"created_at": "2022-09-04T14:44:24.096534Z",
"structure_string": "Y6 Mo6 O18\n1.0\n3.145274 -5.447774 0.000000\n3.145274 5.447774 0.000000\n0.000000 0.000000 12.517474\nY Mo O\n6 6 18\ndirect\n0.666667 0.333333 0.235293 Y\n0.333333 0.666667 0.735293 Y\n0.666667 0.333333 0.735293 Y\n0.333333 0.666667 0.235293 Y\n0.000000 0.000000 0.770111 Y\n0.000000 0.000000 0.270111 Y\n0.667595 0.000000 0.500501 Mo\n0.667595 0.667595 0.000501 Mo\n0.000000 0.332405 0.000501 Mo\n0.000000 0.667595 0.500501 Mo\n0.332405 0.332405 0.500501 Mo\n0.332405 0.000000 0.000501 Mo\n0.666667 0.333333 0.030399 O\n0.333333 0.666667 0.530399 O\n0.666667 0.333333 0.530399 O\n0.333333 0.666667 0.030399 O\n0.000000 0.000000 0.964221 O\n0.000000 0.000000 0.464221 O\n0.359499 0.000000 0.831804 O\n0.359499 0.359499 0.331804 O\n0.000000 0.640501 0.331804 O\n0.000000 0.359499 0.831804 O\n0.640501 0.640501 0.831804 O\n0.640501 0.000000 0.331804 O\n0.307251 0.000000 0.170789 O\n0.307251 0.307251 0.670789 O\n0.000000 0.692749 0.670789 O\n0.000000 0.307251 0.170789 O\n0.692749 0.692749 0.170789 O\n0.692749 0.000000 0.670789 O\n",
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"formula_full": "Y6 Mo6 O18",
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},
{
"id": "mp-1042613",
"created_at": "2022-09-04T14:44:24.104153Z",
"structure_string": "Y2 W6 O16\n1.0\n5.856264 0.000000 0.000000\n0.000000 5.446926 0.000000\n0.000000 5.032704 9.748692\nY W O\n2 6 16\ndirect\n0.673775 0.500000 0.750000 Y\n0.326225 0.500000 0.250000 Y\n0.341139 0.000000 0.750000 W\n0.658861 0.000000 0.250000 W\n0.150779 0.754413 0.498135 W\n0.150779 0.245587 0.001865 W\n0.849221 0.245587 0.501865 W\n0.849221 0.754413 0.998135 W\n0.358707 0.200163 0.857985 O\n0.358707 0.799837 0.642015 O\n0.641293 0.799837 0.142015 O\n0.641293 0.200163 0.357985 O\n0.892851 0.701087 0.381402 O\n0.892851 0.298913 0.118598 O\n0.107149 0.298913 0.618598 O\n0.107149 0.701087 0.881402 O\n0.596233 0.739966 0.870172 O\n0.596233 0.260034 0.629828 O\n0.403767 0.260034 0.129828 O\n0.403767 0.739966 0.370172 O\n0.888126 0.183451 0.897349 O\n0.111874 0.816549 0.102651 O\n0.888126 0.816549 0.602651 O\n0.111874 0.183451 0.397349 O\n",
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"density_atomic": 0.07717786682035725,
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"formula_full": "Y2 W6 O16",
"formula_reduced": "YW3O8",
"formula_anonymous": "AB3C8",
"energy": -228.23593172,
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"updated_at": "2021-11-28T01:36:41.456000Z",
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{
"id": "mp-1210674",
"created_at": "2022-09-04T14:44:24.038441Z",
"structure_string": "Mg12 Si4 O24\n1.0\n4.802603 0.000000 0.000000\n0.000000 8.965904 0.000000\n0.000000 0.000000 10.464344\nMg Si O\n12 4 24\ndirect\n0.499517 0.750000 0.593879 Mg\n0.500483 0.250000 0.406121 Mg\n0.999517 0.250000 0.906121 Mg\n0.000483 0.750000 0.093879 Mg\n0.512186 0.570256 0.865836 Mg\n0.487814 0.429744 0.134164 Mg\n0.012186 0.429744 0.634164 Mg\n0.487814 0.070256 0.134164 Mg\n0.987814 0.570256 0.365836 Mg\n0.512186 0.929744 0.865836 Mg\n0.987814 0.929744 0.365836 Mg\n0.012186 0.070256 0.634164 Mg\n0.075821 0.750000 0.779870 Si\n0.924179 0.250000 0.220130 Si\n0.575821 0.250000 0.720130 Si\n0.424179 0.750000 0.279870 Si\n0.725774 0.105517 0.791863 O\n0.274226 0.894483 0.208137 O\n0.225774 0.894483 0.708137 O\n0.274226 0.605517 0.208137 O\n0.774226 0.105517 0.291863 O\n0.725774 0.394483 0.791863 O\n0.774226 0.394483 0.291863 O\n0.225774 0.605517 0.708137 O\n0.768233 0.584686 0.535826 O\n0.231767 0.415314 0.464174 O\n0.268233 0.415314 0.964174 O\n0.231767 0.084686 0.464174 O\n0.731767 0.584686 0.035826 O\n0.768233 0.915314 0.535826 O\n0.731767 0.915314 0.035826 O\n0.268233 0.084686 0.964174 O\n0.737423 0.750000 0.778584 O\n0.262577 0.250000 0.221416 O\n0.237423 0.250000 0.721416 O\n0.762577 0.750000 0.278584 O\n0.223265 0.750000 0.923758 O\n0.776735 0.250000 0.076242 O\n0.723265 0.250000 0.576242 O\n0.276735 0.750000 0.423758 O\n",
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"elements": [
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],
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"density": 2.903927038941246,
"density_atomic": 0.08877224662579775,
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"formula_full": "Mg12 Si4 O24",
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{
"id": "mp-767719",
"created_at": "2022-09-04T14:44:24.044000Z",
"structure_string": "Li4 Ti2 Mn3 Ni3 O16\n1.0\n5.869618 0.057491 -0.094242\n-2.885024 4.996352 0.000370\n-0.152119 -0.087126 9.466100\nLi Ti Mn Ni O\n4 2 3 3 16\ndirect\n0.321021 0.660514 0.894687 Li\n0.990001 0.995043 0.992632 Li\n0.004891 0.002448 0.496274 Li\n0.664681 0.332335 0.394586 Li\n0.343962 0.672051 0.497039 Ti\n0.663357 0.331684 0.994288 Ti\n0.174563 0.831869 0.215716 Mn\n0.174591 0.342712 0.215725 Mn\n0.345330 0.172678 0.717779 Mn\n0.659853 0.829958 0.213049 Ni\n0.830028 0.661404 0.714150 Ni\n0.830045 0.168697 0.714148 Ni\n0.187359 0.844433 0.595267 O\n0.038414 0.519147 0.332795 O\n0.313383 0.656778 0.106367 O\n0.015219 0.007540 0.307597 O\n0.010961 0.005637 0.804182 O\n0.187563 0.343003 0.595227 O\n0.467477 0.961061 0.342352 O\n0.467562 0.506534 0.342295 O\n0.326443 0.163250 0.102651 O\n0.679892 0.840121 0.595365 O\n0.502345 0.468870 0.844935 O\n0.502253 0.033401 0.844925 O\n0.659489 0.329616 0.613277 O\n0.844504 0.665274 0.091641 O\n0.950380 0.475122 0.837208 O\n0.844437 0.179120 0.091679 O\n",
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{
"id": "mp-1521023",
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"structure_string": "Sr1 Eu1 Cr1 Bi1 O6\n1.0\n0.000000 -4.104827 -4.104827\n4.104827 -0.000000 -4.104827\n4.104827 -4.104827 0.000000\nSr Eu Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Cr\n-0.000000 -0.000000 -0.000000 Bi\n0.743515 0.256485 0.256485 O\n0.256485 0.743515 0.743515 O\n0.743515 0.256485 0.743515 O\n0.256485 0.743515 0.256485 O\n0.743515 0.743515 0.256485 O\n0.256485 0.256485 0.743515 O\n",
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{
"id": "mp-530545",
"created_at": "2022-09-04T14:44:24.268126Z",
"structure_string": "In32 Ge8 Se32\n1.0\n12.846713 0.000000 0.000000\n0.000000 12.846713 0.000000\n0.000000 0.000000 12.846713\nIn Ge Se\n32 8 32\ndirect\n0.040081 0.059546 0.277746 In\n0.040081 0.440454 0.777746 In\n0.059546 0.277746 0.040081 In\n0.059546 0.222254 0.540081 In\n0.221398 0.721398 0.778602 In\n0.221398 0.778602 0.278602 In\n0.222254 0.959919 0.559546 In\n0.222254 0.540081 0.059546 In\n0.277746 0.040081 0.059546 In\n0.277746 0.459919 0.559546 In\n0.278602 0.221398 0.778602 In\n0.278602 0.278602 0.278602 In\n0.440454 0.722254 0.540081 In\n0.440454 0.777746 0.040081 In\n0.459919 0.559546 0.277746 In\n0.459919 0.940454 0.777746 In\n0.540081 0.059546 0.222254 In\n0.540081 0.440454 0.722254 In\n0.559546 0.222254 0.959919 In\n0.559546 0.277746 0.459919 In\n0.721398 0.721398 0.721398 In\n0.721398 0.778602 0.221398 In\n0.722254 0.959919 0.940454 In\n0.722254 0.540081 0.440454 In\n0.777746 0.459919 0.940454 In\n0.777746 0.040081 0.440454 In\n0.778602 0.221398 0.721398 In\n0.778602 0.278602 0.221398 In\n0.940454 0.722254 0.959919 In\n0.940454 0.777746 0.459919 In\n0.959919 0.940454 0.722254 In\n0.959919 0.559546 0.222254 In\n0.100827 0.899173 0.399173 Ge\n0.100827 0.600827 0.899173 Ge\n0.399173 0.399173 0.399173 Ge\n0.399173 0.100827 0.899173 Ge\n0.600827 0.899173 0.100827 Ge\n0.600827 0.600827 0.600827 Ge\n0.899173 0.100827 0.600827 Ge\n0.899173 0.399173 0.100827 Ge\n0.425047 0.574953 0.074953 Se\n0.574953 0.074953 0.425047 Se\n0.925047 0.925047 0.925047 Se\n0.925047 0.574953 0.425047 Se\n0.075078 0.257096 0.332115 Se\n0.075078 0.242904 0.832115 Se\n0.074953 0.425047 0.574953 Se\n0.074953 0.074953 0.074953 Se\n0.167885 0.924922 0.757096 Se\n0.167885 0.575078 0.257096 Se\n0.242904 0.667885 0.575078 Se\n0.242904 0.832115 0.075078 Se\n0.257096 0.167885 0.575078 Se\n0.257096 0.332115 0.075078 Se\n0.332115 0.075078 0.257096 Se\n0.332115 0.424922 0.757096 Se\n0.425047 0.925047 0.574953 Se\n0.424922 0.757096 0.332115 Se\n0.424922 0.742904 0.832115 Se\n0.575078 0.257096 0.167885 Se\n0.575078 0.242904 0.667885 Se\n0.574953 0.425047 0.925047 Se\n0.667885 0.575078 0.242904 Se\n0.667885 0.924922 0.742904 Se\n0.742904 0.667885 0.924922 Se\n0.742904 0.832115 0.424922 Se\n0.757096 0.167885 0.924922 Se\n0.757096 0.332115 0.424922 Se\n0.832115 0.424922 0.742904 Se\n0.832115 0.075078 0.242904 Se\n0.924922 0.742904 0.667885 Se\n0.924922 0.757096 0.167885 Se\n",
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"formula_full": "In32 Ge8 Se32",
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{
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