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"results": [
{
"id": "mp-1223618",
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"structure_string": "K1 Na1 Ca1 Co5 Si8 O24\n1.0\n-0.017912 0.000160 5.291719\n-9.864080 -0.002793 2.633530\n-4.934704 -9.148550 1.316527\nK Na Ca Co Si O\n1 1 1 5 8 24\ndirect\n0.978543 0.509156 0.003870 K\n0.500398 0.273968 0.451489 Na\n0.500415 0.725175 0.549068 Ca\n0.500300 0.083358 0.833591 Co\n0.500077 0.915952 0.169014 Co\n0.999758 0.001881 0.997184 Co\n0.000499 0.183594 0.633195 Co\n0.000147 0.820909 0.358818 Co\n0.195680 0.452314 0.661214 Si\n0.196512 0.114792 0.341339 Si\n0.804087 0.544137 0.341820 Si\n0.804712 0.887443 0.660630 Si\n0.697126 0.359021 0.831885 Si\n0.700942 0.190183 0.169729 Si\n0.299573 0.640848 0.169970 Si\n0.303254 0.810165 0.831538 Si\n0.402421 0.459085 0.767560 O\n0.403611 0.222133 0.229325 O\n0.597179 0.549061 0.229336 O\n0.598322 0.773948 0.767735 O\n0.701077 0.329394 0.999960 O\n0.302097 0.671553 0.000009 O\n0.775908 0.199780 0.822517 O\n0.788675 0.023382 0.173602 O\n0.211525 0.803451 0.174116 O\n0.223907 0.978796 0.821821 O\n0.279382 0.284068 0.667381 O\n0.280170 0.946065 0.345109 O\n0.720147 0.709075 0.345318 O\n0.720691 0.049349 0.666910 O\n0.267375 0.097067 0.990160 O\n0.733151 0.912306 0.989986 O\n0.898818 0.472315 0.738161 O\n0.904409 0.212113 0.259209 O\n0.095411 0.529665 0.258672 O\n0.100766 0.789908 0.738867 O\n0.205546 0.607358 0.510617 O\n0.204640 0.111452 0.494317 O\n0.795862 0.394031 0.494202 O\n0.794888 0.881950 0.510758 O\n",
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{
"id": "mp-18189",
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"structure_string": "Li8 Tm8 Sn8\n1.0\n4.658089 -8.068046 0.000000\n4.658089 8.068046 0.000000\n0.000000 0.000000 7.189907\nLi Tm Sn\n8 8 8\ndirect\n0.833267 0.666534 0.712336 Li\n0.833267 0.166733 0.712336 Li\n0.333333 0.666667 0.821480 Li\n0.666667 0.333333 0.321480 Li\n0.666534 0.833267 0.212336 Li\n0.166733 0.333466 0.212336 Li\n0.166733 0.833267 0.212336 Li\n0.333466 0.166733 0.712336 Li\n0.000000 0.000000 0.000824 Tm\n0.000000 0.000000 0.500824 Tm\n0.511385 0.488615 0.006422 Tm\n0.022770 0.511385 0.506422 Tm\n0.488615 0.977230 0.506422 Tm\n0.511385 0.022770 0.006422 Tm\n0.977230 0.488615 0.006422 Tm\n0.488615 0.511385 0.506422 Tm\n0.166675 0.833325 0.769919 Sn\n0.666667 0.333333 0.740665 Sn\n0.333333 0.666667 0.240665 Sn\n0.833325 0.166675 0.269919 Sn\n0.166675 0.333351 0.769919 Sn\n0.333351 0.166675 0.269919 Sn\n0.833325 0.666649 0.269919 Sn\n0.666649 0.833325 0.769919 Sn\n",
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"formula_full": "Li8 Tm8 Sn8",
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},
{
"id": "mp-18843",
"created_at": "2022-09-04T14:48:24.237985Z",
"structure_string": "Ca12 Fe4 Rh4 O24\n1.0\n6.461419 0.018120 -0.166835\n-0.154070 6.477283 6.296714\n0.189260 -6.441043 6.630383\nCa Fe Rh O\n12 4 4 24\ndirect\n0.617384 0.566308 0.683692 Ca\n0.617384 0.066308 0.183692 Ca\n0.250000 0.750000 0.132616 Ca\n0.250000 0.250000 0.632616 Ca\n0.882616 0.433692 0.183692 Ca\n0.882616 0.933692 0.683692 Ca\n0.382616 0.433692 0.316308 Ca\n0.382616 0.933692 0.816308 Ca\n0.117384 0.566308 0.816308 Ca\n0.117384 0.066308 0.316308 Ca\n0.750000 0.250000 0.867384 Ca\n0.750000 0.750000 0.367384 Ca\n0.250000 0.750000 0.500000 Fe\n0.750000 0.750000 0.000000 Fe\n0.250000 0.250000 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.799688 0.532190 0.931055 O\n0.799688 0.032190 0.431055 O\n0.601135 0.631467 0.168222 O\n0.601135 0.131467 0.668222 O\n0.463245 0.700411 0.900723 O\n0.463245 0.200411 0.400723 O\n0.036755 0.799589 0.900723 O\n0.036755 0.299589 0.400723 O\n0.898865 0.368533 0.668222 O\n0.898865 0.868533 0.168222 O\n0.700312 0.467810 0.431055 O\n0.700312 0.967810 0.931055 O\n0.200312 0.467810 0.068945 O\n0.200312 0.967810 0.568945 O\n0.398865 0.368533 0.831778 O\n0.398865 0.868533 0.331778 O\n0.536755 0.299589 0.099277 O\n0.536755 0.799589 0.599277 O\n0.963245 0.200411 0.099277 O\n0.963245 0.700411 0.599277 O\n0.299688 0.532190 0.568945 O\n0.299688 0.032190 0.068945 O\n0.101135 0.631467 0.331778 O\n0.101135 0.131467 0.831778 O\n",
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"formula_full": "Ca12 Fe4 Rh4 O24",
"formula_reduced": "Ca3FeRhO6",
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"energy": -314.4243707,
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"updated_at": "2021-11-28T01:39:35.236000Z",
"spacegroup": 167
},
{
"id": "mp-20925",
"created_at": "2022-09-04T14:48:24.250085Z",
"structure_string": "Co12 C4\n1.0\n4.433886 0.000000 0.000000\n0.000000 4.938728 0.000000\n0.000000 0.000000 6.696696\nCo C\n12 4\ndirect\n0.670427 0.819803 0.930222 Co\n0.170427 0.680197 0.069778 Co\n0.829573 0.319803 0.569778 Co\n0.329573 0.180197 0.430222 Co\n0.843439 0.037948 0.250000 Co\n0.343439 0.462052 0.750000 Co\n0.656561 0.537948 0.250000 Co\n0.156561 0.962052 0.750000 Co\n0.670427 0.819803 0.569778 Co\n0.170427 0.680197 0.430222 Co\n0.829573 0.319803 0.930222 Co\n0.329573 0.180197 0.069778 Co\n0.553463 0.119457 0.750000 C\n0.053463 0.380543 0.250000 C\n0.946537 0.619457 0.750000 C\n0.446537 0.880543 0.250000 C\n",
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"elements": [
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"density": 8.55213447938621,
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"volume": 146.64262128903374,
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"formula_full": "Co12 C4",
"formula_reduced": "Co3C",
"formula_anonymous": "AB3",
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{
"id": "mp-1064554",
"created_at": "2022-09-04T14:48:24.251039Z",
"structure_string": "Bi2 Rh2\n1.0\n2.088273 -3.616996 0.000000\n2.088273 3.616996 0.000000\n0.000000 0.000000 5.750255\nBi Rh\n2 2\ndirect\n0.333333 0.666667 0.250000 Bi\n0.666667 0.333333 0.750000 Bi\n0.000000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
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"volume": 86.86651568123683,
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{
"id": "mp-1177108",
"created_at": "2022-09-04T14:48:24.252357Z",
"structure_string": "Li5 Fe4 Si6 O20\n1.0\n5.431483 0.000000 0.000000\n-2.677195 4.742383 0.000000\n-1.425240 -0.873551 16.845870\nLi Fe Si O\n5 4 6 20\ndirect\n0.616638 0.434014 0.769554 Li\n0.499828 0.332852 0.442559 Li\n0.491232 0.666718 0.552923 Li\n0.391137 0.579351 0.247104 Li\n0.501701 0.846624 0.047521 Li\n0.180389 0.003267 0.579568 Fe\n0.192381 0.178315 0.081493 Fe\n0.814660 0.811820 0.912422 Fe\n0.797431 0.000960 0.410361 Fe\n0.004588 0.136633 0.749205 Si\n0.848000 0.331433 0.602278 Si\n0.156939 0.463156 0.901807 Si\n0.856699 0.518264 0.097316 Si\n0.146830 0.680412 0.404764 Si\n0.997587 0.863168 0.249014 Si\n0.209239 0.102153 0.691328 O\n0.187712 0.134705 0.196966 O\n0.822863 0.271812 0.699059 O\n0.881208 0.507673 0.890929 O\n0.847270 0.056548 0.559636 O\n0.086564 0.187846 0.955759 O\n0.559374 0.338273 0.567427 O\n0.565230 0.227231 0.066174 O\n0.849738 0.389967 0.409187 O\n0.232697 0.386212 0.815487 O\n0.818198 0.576699 0.188955 O\n0.136255 0.628924 0.590000 O\n0.448602 0.738572 0.938275 O\n0.422809 0.647307 0.435859 O\n0.879288 0.792754 0.049303 O\n0.148526 0.947142 0.454617 O\n0.157895 0.516595 0.092511 O\n0.200449 0.781927 0.310933 O\n0.795954 0.865042 0.796649 O\n0.760978 0.883710 0.294813 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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"updated_at": "2021-11-28T01:39:36.116000Z",
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{
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}