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{
"id": "mp-23504",
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"structure_string": "Sr4 In2 I10\n1.0\n-4.603956 4.603956 7.671489\n4.603956 -4.603956 7.671489\n4.603956 4.603956 -7.671489\nSr In I\n4 2 10\ndirect\n0.843975 0.343975 0.187950 Sr\n0.343975 0.156025 0.500000 Sr\n0.156025 0.656025 0.812050 Sr\n0.656025 0.843975 0.500000 Sr\n0.250000 0.250000 0.000000 In\n0.750000 0.750000 0.000000 In\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.000000 I\n0.512714 0.012714 0.801258 I\n0.012714 0.211456 0.500000 I\n0.711456 0.512714 0.500000 I\n0.987286 0.788544 0.500000 I\n0.288544 0.487286 0.500000 I\n0.788544 0.288544 0.801258 I\n0.487286 0.987286 0.198742 I\n0.211456 0.711456 0.198742 I\n",
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{
"id": "mp-638035",
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"structure_string": "Si6 O12\n1.0\n3.632184 -5.474650 0.000000\n3.632184 5.474650 0.000000\n-4.619542 0.000000 4.671657\nSi O\n6 12\ndirect\n0.577606 0.750000 0.922394 Si\n0.422394 0.250000 0.077606 Si\n0.077606 0.422394 0.250000 Si\n0.750000 0.922394 0.577606 Si\n0.922394 0.577606 0.750000 Si\n0.250000 0.077606 0.422394 Si\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.628337 0.871663 0.750000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.750000 0.628337 0.871663 O\n0.871663 0.750000 0.628337 O\n0.371663 0.128337 0.250000 O\n0.250000 0.371663 0.128337 O\n0.000000 0.500000 0.500000 O\n0.128337 0.250000 0.371663 O\n0.500000 0.500000 0.000000 O\n",
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},
{
"id": "mp-977475",
"created_at": "2022-09-04T14:39:26.037789Z",
"structure_string": "Zr1 In1 Pd2\n1.0\n0.000000 3.321302 3.321302\n3.321302 0.000000 3.321302\n3.321302 3.321302 0.000000\nZr In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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},
{
"id": "mp-1177765",
"created_at": "2022-09-04T14:39:25.862875Z",
"structure_string": "Li6 V3 Fe3 P6 H6 O30\n1.0\n5.434201 0.000000 0.000000\n-2.636477 6.999613 0.000000\n-0.613342 -1.721702 14.416207\nLi V Fe P H O\n6 3 3 6 6 30\ndirect\n0.265958 0.868924 0.691995 Li\n0.067328 0.464466 0.641748 Li\n0.400422 0.796948 0.974385 Li\n0.599859 0.203076 0.025122 Li\n0.932446 0.535417 0.358481 Li\n0.733989 0.131094 0.308331 Li\n0.667148 0.666807 0.166423 V\n0.000059 0.000085 0.500087 V\n0.999749 0.999527 0.999613 V\n0.333253 0.333573 0.833477 Fe\n0.332987 0.333296 0.333280 Fe\n0.667392 0.667269 0.667175 Fe\n0.019020 0.379764 0.148121 P\n0.314898 0.954416 0.185332 P\n0.351455 0.712804 0.481429 P\n0.648407 0.287182 0.518809 P\n0.685021 0.047113 0.814509 P\n0.981151 0.618822 0.851823 P\n0.046467 0.988272 0.325379 H\n0.289940 0.347375 0.007055 H\n0.380288 0.321153 0.659973 H\n0.619911 0.678428 0.341250 H\n0.709501 0.652602 0.991474 H\n0.953841 0.011880 0.674824 H\n0.081300 0.828113 0.900420 O\n0.044338 0.838798 0.218197 O\n0.136017 0.791865 0.450421 O\n0.197498 0.541185 0.882484 O\n0.299739 0.958247 0.077810 O\n0.033851 0.376252 0.255398 O\n0.367034 0.708635 0.588718 O\n0.252641 0.503015 0.432672 O\n0.045995 0.096974 0.369928 O\n0.289644 0.495216 0.114977 O\n0.288417 0.239468 0.961578 O\n0.586773 0.836827 0.765940 O\n0.530221 0.874984 0.216346 O\n0.378483 0.429201 0.704710 O\n0.622499 0.828455 0.448318 O\n0.377324 0.171685 0.551965 O\n0.620191 0.569896 0.296486 O\n0.468831 0.124666 0.784039 O\n0.413730 0.164223 0.233829 O\n0.712692 0.761039 0.036904 O\n0.709004 0.503607 0.884386 O\n0.954065 0.903125 0.630212 O\n0.746819 0.497000 0.567546 O\n0.632855 0.290849 0.411517 O\n0.965354 0.623352 0.744451 O\n0.700989 0.042513 0.922121 O\n0.803350 0.459154 0.116892 O\n0.863994 0.208242 0.549831 O\n0.957143 0.162305 0.782208 O\n0.918719 0.170815 0.099598 O\n",
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"elements": [
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"O"
],
"chemical_system": "Fe-H-Li-O-P-V",
"density": 3.130815921728207,
"density_atomic": 0.0984765948570762,
"volume": 548.3536476700152,
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"formula_full": "Li6 V3 Fe3 P6 H6 O30",
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"updated_at": "2021-11-28T01:34:39.314000Z",
"spacegroup": 1
},
{
"id": "mp-1179627",
"created_at": "2022-09-04T14:39:26.052016Z",
"structure_string": "Zn16 N32 Cl64\n1.0\n12.813624 0.000000 -0.142605\n0.000000 8.823028 0.000000\n-0.394877 0.000000 37.197112\nZn N Cl\n16 32 64\ndirect\n0.236704 0.059897 0.479557 Zn\n0.236704 0.940103 0.979557 Zn\n0.247639 0.042423 0.721012 Zn\n0.247639 0.957577 0.221012 Zn\n0.650111 0.125127 0.600130 Zn\n0.650111 0.874873 0.100130 Zn\n0.564719 0.983620 0.854195 Zn\n0.564719 0.016380 0.354195 Zn\n0.853251 0.486824 0.011005 Zn\n0.853251 0.513176 0.511005 Zn\n0.773311 0.392120 0.779149 Zn\n0.773311 0.607880 0.279149 Zn\n0.079298 0.495481 0.898032 Zn\n0.079298 0.504519 0.398032 Zn\n0.233994 0.512820 0.598076 Zn\n0.233994 0.487180 0.098076 Zn\n0.126851 0.013012 0.820438 N\n0.126851 0.986988 0.320438 N\n0.089284 0.929097 0.582075 N\n0.089284 0.070903 0.082075 N\n0.813868 0.015279 0.927419 N\n0.813868 0.984721 0.427419 N\n0.825944 -0.005843 0.700278 N\n0.825944 0.005843 0.200278 N\n0.298886 0.968906 0.668435 N\n0.298886 0.031094 0.168434 N\n0.334121 0.078295 0.944395 N\n0.334121 0.921705 0.444395 N\n0.629271 0.062330 0.543223 N\n0.629271 0.937670 0.043223 N\n0.525528 0.951510 0.780983 N\n0.525528 0.048489 0.280983 N\n0.621774 0.502672 0.676219 N\n0.621774 0.497328 0.176219 N\n0.595362 0.499909 0.944444 N\n0.595362 0.500091 0.444444 N\n0.348993 0.538860 0.556381 N\n0.348993 0.461140 0.056381 N\n0.308521 0.531419 0.823179 N\n0.308521 0.468581 0.323179 N\n0.816593 0.571973 0.816748 N\n0.816593 0.428027 0.316748 N\n0.689983 0.540211 0.582775 N\n0.689983 0.459789 0.082775 N\n0.110858 0.509300 0.956496 N\n0.110858 0.490700 0.456496 N\n0.095298 0.422106 0.701548 N\n0.095298 0.577894 0.201548 N\n0.220124 0.967270 0.584999 Cl\n0.220124 0.032730 0.084999 Cl\n0.112228 0.910346 0.489034 Cl\n0.112228 0.089654 0.989034 Cl\n0.329759 0.257573 0.486215 Cl\n0.329759 0.742427 0.986215 Cl\n0.403804 0.778028 0.453721 Cl\n0.403804 0.221972 0.953721 Cl\n0.248901 0.001897 0.831235 Cl\n0.248901 -0.001897 0.331235 Cl\n0.135239 0.872964 0.729325 Cl\n0.135239 0.127036 0.229325 Cl\n0.347391 0.228382 0.729691 Cl\n0.347391 0.771618 0.229691 Cl\n0.473584 0.815414 0.758595 Cl\n0.473584 0.184586 0.258595 Cl\n0.701755 0.019743 0.703013 Cl\n0.701755 0.980257 0.203013 Cl\n0.813361 0.121108 0.604407 Cl\n0.813361 0.878892 0.104407 Cl\n0.611676 0.676553 0.591051 Cl\n0.611676 0.323447 0.091051 Cl\n0.491296 0.133741 0.613444 Cl\n0.491296 0.866259 0.113444 Cl\n0.691618 0.974837 0.941504 Cl\n0.691618 0.025163 0.441504 Cl\n0.814024 0.048666 0.882064 Cl\n0.814024 0.951334 0.382064 Cl\n0.588371 0.748864 0.854402 Cl\n0.588371 0.251136 0.354402 Cl\n0.529082 0.211533 0.863203 Cl\n0.529082 0.788467 0.363203 Cl\n0.713568 0.493288 0.925308 Cl\n0.713568 0.506712 0.425308 Cl\n0.605599 0.553430 0.988760 Cl\n0.605599 0.446570 0.488760 Cl\n0.890736 0.714330 0.003721 Cl\n0.890736 0.285670 0.503721 Cl\n0.825826 0.254817 0.015811 Cl\n0.825826 0.745183 0.515811 Cl\n0.746225 0.515838 0.682790 Cl\n0.746225 0.484162 0.182790 Cl\n0.609975 0.409015 0.772428 Cl\n0.609975 0.590985 0.272428 Cl\n0.861131 0.733182 0.806624 Cl\n0.861131 0.266818 0.306624 Cl\n0.920797 0.297887 0.767621 Cl\n0.920797 0.702113 0.267621 Cl\n0.188640 0.497515 0.805233 Cl\n0.188640 0.502485 0.305233 Cl\n0.305466 0.552610 0.869221 Cl\n0.305466 0.447390 0.369221 Cl\n0.088582 0.258689 0.891886 Cl\n0.088582 0.741311 0.391886 Cl\n0.032199 0.722803 0.890159 Cl\n0.032199 0.277197 0.390159 Cl\n0.114233 0.420049 0.565030 Cl\n0.114233 0.579951 0.065030 Cl\n0.321774 0.585300 0.643466 Cl\n0.321774 0.414700 0.143466 Cl\n0.057238 0.325126 0.666791 Cl\n0.057238 0.674874 0.166791 Cl\n0.053535 0.814559 0.616598 Cl\n0.053535 0.185441 0.116598 Cl\n",
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{
"id": "mp-1520935",
"created_at": "2022-09-04T14:39:26.075160Z",
"structure_string": "Ba1 Tb1 Eu1 Sb1 O6\n1.0\n-0.000000 -4.238306 -4.238306\n4.238306 -0.000000 -4.238306\n4.238306 -4.238306 -0.000000\nBa Tb Eu Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Sb\n0.763509 0.236491 0.236491 O\n0.236491 0.763509 0.763509 O\n0.763509 0.236491 0.763509 O\n0.236491 0.763509 0.236491 O\n0.763509 0.763509 0.236491 O\n0.236491 0.236491 0.763509 O\n",
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"formula_full": "Ba1 Tb1 Eu1 Sb1 O6",
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{
"id": "mp-1209476",
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"structure_string": "Rb8 Fe8 S12 O48\n1.0\n10.261897 0.000000 0.000000\n0.000000 10.261897 0.000000\n0.000000 0.000000 10.261897\nRb Fe S O\n8 8 12 48\ndirect\n0.048169 0.048169 0.048169 Rb\n0.451831 0.951831 0.548169 Rb\n0.951831 0.548169 0.451831 Rb\n0.548169 0.451831 0.951831 Rb\n0.816613 0.816613 0.816613 Rb\n0.683387 0.183387 0.316613 Rb\n0.183387 0.316613 0.683387 Rb\n0.316613 0.683387 0.183387 Rb\n0.335208 0.335208 0.335208 Fe\n0.164792 0.664792 0.835208 Fe\n0.664792 0.835208 0.164792 Fe\n0.835208 0.164792 0.664792 Fe\n0.598730 0.598730 0.598730 Fe\n0.901270 0.401270 0.098730 Fe\n0.401270 0.098730 0.901270 Fe\n0.098730 0.901270 0.401270 Fe\n0.018108 0.215900 0.375803 S\n0.481892 0.784100 0.875803 S\n0.981892 0.715900 0.124197 S\n0.375803 0.018108 0.215900 S\n0.518108 0.284100 0.624197 S\n0.875803 0.481892 0.784100 S\n0.124197 0.981892 0.715900 S\n0.624197 0.518108 0.284100 S\n0.215900 0.375803 0.018108 S\n0.715900 0.124197 0.981892 S\n0.284100 0.624197 0.518108 S\n0.784100 0.875803 0.481892 S\n0.009229 0.078126 0.330081 O\n0.490771 0.921874 0.830081 O\n0.990771 0.578126 0.169919 O\n0.330081 0.009229 0.078126 O\n0.509229 0.421874 0.669919 O\n0.830081 0.490771 0.921874 O\n0.169919 0.990771 0.578126 O\n0.669919 0.509229 0.421874 O\n0.078126 0.330081 0.009229 O\n0.578126 0.169919 0.990771 O\n0.421874 0.669919 0.509229 O\n0.921874 0.830081 0.490771 O\n0.265422 0.501627 0.442267 O\n0.234578 0.498373 0.942267 O\n0.734578 0.001627 0.057733 O\n0.442267 0.265422 0.501627 O\n0.765422 0.998373 0.557733 O\n0.942267 0.234578 0.498373 O\n0.057733 0.734578 0.001627 O\n0.557733 0.765422 0.998373 O\n0.501627 0.442267 0.265422 O\n0.001627 0.057733 0.734578 O\n0.998373 0.557733 0.765422 O\n0.498373 0.942267 0.234578 O\n0.040891 0.802311 0.224554 O\n0.459109 0.197689 0.724554 O\n0.959109 0.302311 0.275446 O\n0.224554 0.040891 0.802311 O\n0.540891 0.697689 0.775446 O\n0.724554 0.459109 0.197689 O\n0.275446 0.959109 0.302311 O\n0.775446 0.540891 0.697689 O\n0.802311 0.224554 0.040891 O\n0.302311 0.275446 0.959109 O\n0.697689 0.775446 0.540891 O\n0.197689 0.724554 0.459109 O\n0.155441 0.252734 0.402101 O\n0.344559 0.747266 0.902101 O\n0.844559 0.752734 0.097899 O\n0.402101 0.155441 0.252734 O\n0.655441 0.247266 0.597899 O\n0.902101 0.344559 0.747266 O\n0.097899 0.844559 0.752734 O\n0.597899 0.655441 0.247266 O\n0.252734 0.402101 0.155441 O\n0.752734 0.097899 0.844559 O\n0.247266 0.597899 0.655441 O\n0.747266 0.902101 0.344559 O\n",
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"formula_full": "Rb8 Fe8 S12 O48",
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