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{
"id": "mp-802127",
"created_at": "2022-09-04T14:40:29.000725Z",
"structure_string": "Li1 Mn1 V1 P2 H2 O10\n1.0\n5.223928 0.000000 0.000000\n-0.941923 5.261605 0.000000\n-1.726507 -2.960614 6.503697\nLi Mn V P H O\n1 1 1 2 2 10\ndirect\n0.622300 0.256233 0.152279 Li\n0.004111 0.008581 0.996516 Mn\n0.493450 0.492823 0.504622 V\n0.087763 0.410586 0.231405 P\n0.900202 0.583838 0.773438 P\n0.301274 0.596175 0.342771 H\n0.691085 0.374374 0.662231 H\n0.423918 0.257191 0.718533 O\n0.902440 0.429946 0.380763 O\n0.075609 0.011545 0.646685 O\n0.562033 0.675503 0.071394 O\n0.970039 0.517025 0.135396 O\n0.982515 0.459112 0.886083 O\n0.431905 0.312597 0.930878 O\n0.945498 0.995641 0.346465 O\n0.108277 0.577118 0.618486 O\n0.571068 0.768078 0.277526 O\n",
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"elements": [
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"density_atomic": 0.09509839723801856,
"volume": 178.76221359915536,
"volume_molar": 6.332536546254706,
"formula_full": "Li1 Mn1 V1 P2 H2 O10",
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"spacegroup": 1
},
{
"id": "mp-707907",
"created_at": "2022-09-04T14:48:09.560974Z",
"structure_string": "Mg2 H48 C12 N24 Cl4 O24\n1.0\n7.437713 0.000000 0.000000\n0.000000 10.569589 0.000000\n0.000000 7.651547 14.521545\nMg H C N Cl O\n2 48 12 24 4 24\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.814331 0.670417 0.744160 H\n0.685669 0.670417 0.244160 H\n0.185669 0.329583 0.255840 H\n0.314331 0.329583 0.755840 H\n0.617290 0.743113 0.682263 H\n0.882710 0.743113 0.182263 H\n0.382710 0.256887 0.317737 H\n0.117290 0.256887 0.817737 H\n0.093526 0.774727 0.683635 H\n0.406474 0.774727 0.183635 H\n0.906474 0.225273 0.316365 H\n0.593526 0.225273 0.816365 H\n0.100648 0.926150 0.574384 H\n0.399352 0.926150 0.074384 H\n0.899352 0.073850 0.425616 H\n0.600648 0.073850 0.925616 H\n0.120664 0.692856 0.460827 H\n0.379336 0.692856 0.960827 H\n0.879336 0.307144 0.539173 H\n0.620664 0.307144 0.039173 H\n0.173106 0.861206 0.452581 H\n0.326894 0.861206 0.952581 H\n0.826894 0.138794 0.547419 H\n0.673106 0.138794 0.047419 H\n0.294673 0.501191 0.553371 H\n0.205327 0.501191 0.053371 H\n0.705327 0.498809 0.446629 H\n0.794673 0.498809 0.946629 H\n0.478248 0.517261 0.615619 H\n0.021752 0.517261 0.115619 H\n0.521752 0.482739 0.384381 H\n0.978248 0.482739 0.884381 H\n0.176977 0.226629 0.636839 H\n0.323023 0.226629 0.136839 H\n0.823023 0.773371 0.363161 H\n0.676977 0.773371 0.863161 H\n0.295421 0.237244 0.542706 H\n0.204579 0.237244 0.042706 H\n0.704579 0.762756 0.457294 H\n0.795421 0.762756 0.957294 H\n0.195499 0.017421 0.779702 H\n0.304501 0.017421 0.279702 H\n0.804501 0.982579 0.220298 H\n0.695499 0.982579 0.720298 H\n0.326603 0.873696 0.787477 H\n0.173397 0.873696 0.287477 H\n0.673397 0.126304 0.212523 H\n0.826603 0.126304 0.712523 H\n0.848726 0.849027 0.618531 C\n0.651274 0.849027 0.118531 C\n0.151274 0.150973 0.381469 C\n0.348726 0.150973 0.881469 C\n0.337320 0.701793 0.537762 C\n0.162680 0.701793 0.037762 C\n0.662680 0.298207 0.462238 C\n0.837320 0.298207 0.962238 C\n0.332167 0.048474 0.661405 C\n0.167833 0.048474 0.161405 C\n0.667833 0.951526 0.338595 C\n0.832167 0.951526 0.838595 C\n0.753005 0.746372 0.687513 N\n0.746995 0.746372 0.187513 N\n0.246995 0.253628 0.312487 N\n0.253005 0.253628 0.812487 N\n0.027766 0.851785 0.627999 N\n0.472234 0.851785 0.127999 N\n0.972234 0.148215 0.372001 N\n0.527766 0.148215 0.872001 N\n0.202461 0.755875 0.476001 N\n0.297539 0.755875 0.976001 N\n0.797539 0.244125 0.523999 N\n0.702461 0.244125 0.023999 N\n0.362550 0.558154 0.579032 N\n0.137450 0.558154 0.079032 N\n0.637450 0.441846 0.420968 N\n0.862550 0.441846 0.920968 N\n0.263759 0.181122 0.610491 N\n0.236241 0.181122 0.110491 N\n0.736241 0.818878 0.389509 N\n0.763759 0.818878 0.889509 N\n0.285129 0.977270 0.751262 N\n0.214871 0.977270 0.251262 N\n0.714871 0.022730 0.248738 N\n0.785129 0.022730 0.748738 N\n0.143634 0.545625 0.343450 Cl\n0.356366 0.545625 0.843450 Cl\n0.856366 0.454375 0.656550 Cl\n0.643634 0.454375 0.156550 Cl\n0.036705 0.674125 0.333014 O\n0.463295 0.674125 0.833014 O\n0.963295 0.325875 0.666986 O\n0.536705 0.325875 0.166986 O\n0.175190 0.454267 0.444514 O\n0.324810 0.454267 0.944514 O\n0.824810 0.545733 0.555486 O\n0.675190 0.545733 0.055486 O\n0.324271 0.599859 0.298090 O\n0.175729 0.599859 0.798090 O\n0.675729 0.400141 0.701910 O\n0.824271 0.400141 0.201910 O\n0.770382 0.944829 0.546536 O\n0.729618 0.944829 0.046536 O\n0.229618 0.055171 0.453464 O\n0.270382 0.055171 0.953464 O\n0.436936 0.781366 0.557493 O\n0.063064 0.781366 0.057493 O\n0.563064 0.218634 0.442507 O\n0.936936 0.218634 0.942507 O\n0.438371 0.990978 0.627665 O\n0.061629 0.990978 0.127665 O\n0.561629 0.009022 0.372335 O\n0.938371 0.009022 0.872335 O\n",
"nsites": 114,
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"elements": [
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"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-Mg-N-O",
"density": 1.6045193089136103,
"density_atomic": 0.09986067795174952,
"volume": 1141.5904872494687,
"volume_molar": 6.030542635520426,
"formula_full": "Mg2 H48 C12 N24 Cl4 O24",
"formula_reduced": "MgH24C6N12(ClO6)2",
"formula_anonymous": "AB2C6D12E12F24",
"energy": -691.09774229,
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"updated_at": "2021-11-28T01:38:31.672000Z",
"spacegroup": 14
},
{
"id": "mp-1200994",
"created_at": "2022-09-04T14:40:29.716706Z",
"structure_string": "Co2 H16 C4 N8 Cl4 O8\n1.0\n8.054137 0.000000 0.000000\n0.000000 7.410041 0.000000\n0.000000 3.927241 8.439832\nCo H C N Cl O\n2 16 4 8 4 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.312188 0.042453 0.897718 H\n0.812188 0.957547 0.602282 H\n0.687812 0.957547 0.102282 H\n0.187812 0.042453 0.397718 H\n0.308433 0.097627 0.046950 H\n0.808433 0.902373 0.453050 H\n0.691567 0.902373 0.953050 H\n0.191567 0.097627 0.546950 H\n0.398322 0.534291 0.264995 H\n0.898322 0.465709 0.235005 H\n0.601678 0.465709 0.735005 H\n0.101678 0.534291 0.764995 H\n0.298726 0.758995 0.231515 H\n0.798726 0.241005 0.268485 H\n0.701274 0.241005 0.768485 H\n0.201274 0.758995 0.731515 H\n0.195872 0.597067 0.121252 C\n0.695872 0.402933 0.378748 C\n0.804128 0.402933 0.878748 C\n0.304128 0.597067 0.621252 C\n0.312684 0.639741 0.204581 N\n0.812684 0.360259 0.295419 N\n0.687316 0.360259 0.795419 N\n0.187316 0.639741 0.704581 N\n0.214027 0.426328 0.097579 N\n0.714027 0.573672 0.402421 N\n0.785973 0.573672 0.902421 N\n0.285973 0.426328 0.597579 N\n0.016511 0.942924 0.273212 Cl\n0.516511 0.057076 0.226788 Cl\n0.983489 0.057076 0.726788 Cl\n0.483489 0.942924 0.773212 Cl\n0.239965 0.086472 0.963305 O\n0.739965 0.913528 0.536695 O\n0.760035 0.913528 0.036695 O\n0.260035 0.086472 0.463305 O\n0.066074 0.698741 0.060955 O\n0.566074 0.301259 0.439045 O\n0.933926 0.301259 0.939045 O\n0.433926 0.698741 0.560955 O\n",
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"elements": [
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],
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"density": 1.8589832611152053,
"density_atomic": 0.08338268294428003,
"volume": 503.701710198822,
"volume_molar": 7.2222919044524625,
"formula_full": "Co2 H16 C4 N8 Cl4 O8",
"formula_reduced": "CoH8C2N4(ClO2)2",
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"energy": -242.91350824,
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"updated_at": "2021-11-28T01:34:48.633000Z",
"spacegroup": 14
},
{
"id": "mp-1195634",
"created_at": "2022-09-04T14:40:34.044443Z",
"structure_string": "Cs2 Na4 Mn6 P8 Cl2 O28\n1.0\n2.674957 10.804053 0.000000\n-2.674957 10.804053 0.000000\n0.000000 6.698169 12.376590\nCs Na Mn P Cl O\n2 4 6 8 2 28\ndirect\n0.500000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.255378 0.303551 0.152752 Na\n0.696449 0.744622 0.347248 Na\n0.744622 0.696449 0.847248 Na\n0.303551 0.255378 0.652752 Na\n0.676728 0.641519 0.152266 Mn\n0.358481 0.323272 0.347734 Mn\n0.323272 0.358481 0.847734 Mn\n0.641519 0.676728 0.652266 Mn\n0.941048 0.058952 0.250000 Mn\n0.058952 0.941048 0.750000 Mn\n0.174292 0.142265 0.005815 P\n0.857735 0.825708 0.494185 P\n0.825708 0.857735 0.994185 P\n0.142265 0.174292 0.505815 P\n0.873930 0.883677 0.175616 P\n0.116323 0.126071 0.324384 P\n0.126070 0.116323 0.824384 P\n0.883677 0.873930 0.675616 P\n0.463014 0.536986 0.250000 Cl\n0.536986 0.463014 0.750000 Cl\n0.947263 0.963220 0.153064 O\n0.036780 0.052737 0.346936 O\n0.052737 0.036780 0.846936 O\n0.963220 0.947263 0.653064 O\n0.076754 0.142613 0.947117 O\n0.857387 0.923246 0.552883 O\n0.923246 0.857387 0.052883 O\n0.142613 0.076754 0.447117 O\n0.906591 0.413683 0.282523 O\n0.586317 0.093409 0.217477 O\n0.093409 0.586317 0.717477 O\n0.413683 0.906591 0.782523 O\n0.982580 0.255939 0.111077 O\n0.744061 0.017420 0.388923 O\n0.017420 0.744061 0.888923 O\n0.255939 0.982580 0.611077 O\n0.457054 0.859684 0.024482 O\n0.140316 0.542946 0.475518 O\n0.542946 0.140316 0.975518 O\n0.859684 0.457054 0.524482 O\n0.053459 0.616867 0.243051 O\n0.383133 0.946541 0.256949 O\n0.946541 0.383133 0.756949 O\n0.616867 0.053459 0.743051 O\n0.857921 0.680813 0.071534 O\n0.319187 0.142079 0.428466 O\n0.142079 0.319187 0.928466 O\n0.680813 0.857921 0.571534 O\n",
"nsites": 50,
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"volume": 715.376238917343,
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"formula_full": "Cs2 Na4 Mn6 P8 Cl2 O28",
"formula_reduced": "CsNa2Mn3P4ClO14",
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"energy": -376.37824156,
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"updated_at": "2021-11-28T01:35:04.222000Z",
"spacegroup": 15
},
{
"id": "mp-1193789",
"created_at": "2022-09-04T14:40:34.688324Z",
"structure_string": "Na2 Co2 H8 S2 O12 F2\n1.0\n5.794053 0.000000 0.000000\n0.000000 7.396586 0.000000\n-2.725047 0.000000 6.749658\nNa Co H S O F\n2 2 8 2 12 2\ndirect\n0.137462 0.750000 0.706766 Na\n0.862538 0.250000 0.293234 Na\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.208133 0.409603 0.134205 H\n0.791867 0.909603 0.865795 H\n0.791867 0.590397 0.865795 H\n0.208133 0.090397 0.134205 H\n0.075646 0.931138 0.202849 H\n0.924354 0.431138 0.797151 H\n0.924354 0.068862 0.797151 H\n0.075646 0.568862 0.202849 H\n0.644726 0.750000 0.191497 S\n0.355274 0.250000 0.808503 S\n0.697189 0.915049 0.321297 O\n0.302811 0.415049 0.678703 O\n0.302811 0.084951 0.678703 O\n0.697189 0.584951 0.321297 O\n0.832151 0.750000 0.090790 O\n0.167849 0.250000 0.909210 O\n0.390165 0.750000 0.044703 O\n0.609835 0.250000 0.955297 O\n0.169917 0.454909 0.247142 O\n0.830083 0.954909 0.752858 O\n0.830083 0.545091 0.752858 O\n0.169917 0.045091 0.247142 O\n0.371887 0.750000 0.527634 F\n0.628113 0.250000 0.472366 F\n",
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],
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"formula_full": "Na2 Co2 H8 S2 O12 F2",
"formula_reduced": "NaCoH4SO6F",
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"spacegroup": 11
},
{
"id": "mp-1106075",
"created_at": "2022-09-04T14:47:18.724482Z",
"structure_string": "K2 Au2 C4 N4 Cl4 O2\n1.0\n0.123139 0.000000 -6.293451\n0.000000 -8.129499 0.000000\n-8.488124 4.064749 1.930971\nK Au C N Cl O\n2 2 4 4 4 2\ndirect\n0.250000 0.323636 0.000000 K\n0.750000 0.676364 0.000000 K\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.808863 0.478727 0.295744 C\n0.691137 0.182983 0.704256 C\n0.191137 0.521273 0.704256 C\n0.308863 0.817017 0.295744 C\n0.694333 0.469300 0.178534 N\n0.805667 0.290766 0.821466 N\n0.305667 0.530700 0.821466 N\n0.194333 0.709234 0.178534 N\n0.240245 0.326880 0.358381 Cl\n0.259755 0.968499 0.641619 Cl\n0.759755 0.673120 0.641619 Cl\n0.740245 0.031501 0.358381 Cl\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 18,
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"elements": [
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"formula_full": "K2 Au2 C4 N4 Cl4 O2",
"formula_reduced": "KAuC2N2Cl2O",
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{
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"structure_string": "La2 H46 C8 N12 Cl8 O20\n1.0\n0.000203 -6.901308 0.000092\n-8.868127 3.450862 -0.000247\n-0.000399 0.000329 -16.964309\nLa H C N Cl O\n2 46 8 12 8 20\ndirect\n0.733745 0.000010 0.852146 La\n0.266278 0.999991 0.352156 La\n0.805158 0.647905 0.548710 H\n0.194831 0.352059 0.048702 H\n0.842761 0.647920 0.048707 H\n0.157239 0.352080 0.548702 H\n0.531802 0.407427 0.753339 H\n0.468203 0.592581 0.253333 H\n0.875597 0.407406 0.253363 H\n0.124396 0.592603 0.753339 H\n0.246800 0.201991 0.629200 H\n0.753202 0.798014 0.129188 H\n0.955119 0.201978 0.129182 H\n0.044867 0.798034 0.629189 H\n0.614888 0.458242 0.877453 H\n0.385121 0.541750 0.377444 H\n0.843348 0.458262 0.377455 H\n0.156658 0.541751 0.877450 H\n0.866629 0.908253 0.486703 H\n0.133294 0.091761 0.986701 H\n0.041507 0.908213 0.986669 H\n0.958551 0.091799 0.486677 H\n0.848152 0.803234 0.676071 H\n0.151843 0.196758 0.176065 H\n0.955119 0.803223 0.176084 H\n0.044894 0.196793 0.676090 H\n0.725408 0.470389 0.003617 H\n0.274592 0.529600 0.503606 H\n0.744976 0.470384 0.503610 H\n0.255014 0.529588 0.003604 H\n0.527764 0.550702 0.689070 H\n0.472232 0.449313 0.189066 H\n0.022946 0.550686 0.189067 H\n0.977049 0.449334 0.689064 H\n0.216453 0.087478 0.819097 H\n0.783579 0.912510 0.319099 H\n0.871065 0.087428 0.319081 H\n0.128968 0.912571 0.819086 H\n0.449074 0.089482 0.527060 H\n0.550914 0.910514 0.027069 H\n0.640398 0.089452 0.027062 H\n0.359574 0.910535 0.527060 H\n0.505154 0.909831 0.686921 H\n0.494821 0.090178 0.186925 H\n0.404672 0.909858 0.186933 H\n0.595296 0.090137 0.686924 H\n0.909786 0.000060 0.569153 H\n0.090194 0.999904 0.069148 H\n0.648123 0.626549 0.796357 C\n0.351876 0.373440 0.296351 C\n0.978442 0.626552 0.296349 C\n0.021572 0.373475 0.796351 C\n0.770562 0.660901 0.934589 C\n0.229441 0.339087 0.434581 C\n0.890357 0.660913 0.434587 C\n0.109639 0.339059 0.934575 C\n0.668285 0.574927 0.871084 N\n0.331718 0.425070 0.371087 N\n0.906637 0.574934 0.371087 N\n0.093371 0.425076 0.871076 N\n0.790607 0.585135 0.998268 N\n0.209394 0.414874 0.498265 N\n0.794506 0.585124 0.498268 N\n0.205499 0.414865 0.998265 N\n0.553058 0.517927 0.743825 N\n0.446919 0.482073 0.243826 N\n0.964855 0.517902 0.243826 N\n0.035106 0.482120 0.743816 N\n0.523570 0.224066 0.866763 Cl\n0.476459 0.775918 0.366784 Cl\n0.700516 0.224049 0.366760 Cl\n0.299525 0.775963 0.866767 Cl\n0.589880 0.266920 0.611640 Cl\n0.410127 0.733072 0.111648 Cl\n0.677041 0.266930 0.111616 Cl\n0.322972 0.733073 0.611627 Cl\n0.854447 0.000050 0.514462 O\n0.145550 0.999967 0.014461 O\n0.594702 0.999985 0.716827 O\n0.405244 0.000014 0.216823 O\n0.100795 0.194485 0.622960 O\n0.899212 0.805523 0.122950 O\n0.093613 0.194457 0.122938 O\n0.906379 0.805558 0.622944 O\n0.637682 0.999980 0.996204 O\n0.362294 0.000012 0.496205 O\n0.910822 0.999962 0.306750 O\n0.089202 0.000031 0.806749 O\n0.711730 0.764007 0.777905 O\n0.288273 0.235998 0.277913 O\n0.052291 0.763972 0.277904 O\n0.947706 0.236030 0.777892 O\n0.842093 0.804329 0.932866 O\n0.157931 0.195662 0.432870 O\n0.962245 0.804340 0.432874 O\n0.037803 0.195673 0.932866 O\n",
"nsites": 96,
"nelements": 6,
"elements": [
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"C",
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],
"chemical_system": "C-Cl-H-La-N-O",
"density": 1.9064004917241166,
"density_atomic": 0.09246485989638266,
"volume": 1038.232255016434,
"volume_molar": 6.512896647167898,
"formula_full": "La2 H46 C8 N12 Cl8 O20",
"formula_reduced": "LaH23C4N6(Cl2O5)2",
"formula_anonymous": "AB4C4D6E10F23",
"energy": -563.3153223200001,
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"energy_uncorrected": -540.33132232,
"band_gap": 4.2402,
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"total_magnetization": 0.0007035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.180000Z",
"spacegroup": 36
},
{
"id": "mp-24757",
"created_at": "2022-09-04T14:40:53.078250Z",
"structure_string": "Al4 B4 P8 H20 N4 O36\n1.0\n8.484833 0.000000 0.000000\n0.000000 9.394884 0.000000\n0.000000 2.418748 9.242701\nAl B P H N O\n4 4 8 20 4 36\ndirect\n0.345288 0.703185 0.066647 Al\n0.845288 0.296815 0.433353 Al\n0.654712 0.296815 0.933353 Al\n0.154712 0.703185 0.566647 Al\n0.948608 0.835329 0.303184 B\n0.551392 0.835329 0.803184 B\n0.051392 0.164671 0.696816 B\n0.448608 0.164671 0.196816 B\n0.737300 0.086372 0.726274 P\n0.762700 0.086372 0.226274 P\n0.262700 0.913628 0.273726 P\n0.237300 0.913628 0.773726 P\n0.564515 0.427233 0.203972 P\n0.064515 0.572767 0.296028 P\n0.435485 0.572767 0.796028 P\n0.935485 0.427233 0.703972 P\n0.656612 0.775998 0.394044 H\n0.156612 0.224002 0.105956 H\n0.343388 0.224002 0.605956 H\n0.843388 0.775998 0.894044 H\n0.554732 0.643493 0.345019 H\n0.054732 0.356507 0.154981 H\n0.445268 0.356507 0.654981 H\n0.945268 0.643493 0.845019 H\n0.512594 0.685298 0.503893 H\n0.012594 0.314702 0.996107 H\n0.487406 0.314702 0.496107 H\n0.987406 0.685298 0.003893 H\n0.315084 0.401258 0.516330 H\n0.815084 0.598742 0.983670 H\n0.565479 0.885757 0.003722 H\n0.065479 0.114243 0.496278 H\n0.434521 0.114243 0.996278 H\n0.934521 0.885757 0.503722 H\n0.684916 0.598742 0.483670 H\n0.184916 0.401258 0.016330 H\n0.897881 0.675758 0.933552 N\n0.602119 0.675758 0.433552 N\n0.102119 0.324242 0.066448 N\n0.397881 0.324242 0.566448 N\n0.697971 0.917081 0.758996 O\n0.571655 0.692046 0.770506 O\n0.928345 0.692046 0.270506 O\n0.428345 0.307954 0.229494 O\n0.217741 0.842063 0.934527 O\n0.717741 0.157937 0.565473 O\n0.782259 0.157937 0.065473 O\n0.282259 0.842063 0.434527 O\n0.133822 0.842940 0.679273 O\n0.633822 0.157060 0.820727 O\n0.485747 0.576512 0.195721 O\n0.366178 0.842940 0.179273 O\n0.197971 0.082919 0.741004 O\n0.071655 0.307954 0.729494 O\n0.802029 0.917081 0.258996 O\n0.302029 0.082919 0.241004 O\n0.415008 0.917492 0.727464 O\n0.915008 0.082508 0.772536 O\n0.985747 0.423488 0.304279 O\n0.084992 0.917492 0.227464 O\n0.966406 0.804437 0.464026 O\n0.466406 0.195563 0.035974 O\n0.033594 0.195563 0.535974 O\n0.533594 0.804437 0.964026 O\n0.843907 0.422589 0.565974 O\n0.667371 0.392262 0.341015 O\n0.167371 0.607738 0.158985 O\n0.332629 0.607738 0.658985 O\n0.514253 0.423488 0.804279 O\n0.014253 0.576512 0.695721 O\n0.832629 0.392262 0.841015 O\n0.656093 0.422589 0.065974 O\n0.156093 0.577411 0.434026 O\n0.343907 0.577411 0.934026 O\n0.584992 0.082508 0.272536 O\n0.866178 0.157060 0.320727 O\n",
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"formula_full": "Al4 B4 P8 H20 N4 O36",
"formula_reduced": "AlBP2H5NO9",
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"updated_at": "2021-11-28T01:35:22.951000Z",
"spacegroup": 14
}
]
}