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{
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{
"id": "mp-759237",
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"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.323222 0.000000 0.000000\n0.029201 8.990696 0.000000\n0.345695 0.136801 9.980941\nLi Fe B O\n4 8 8 24\ndirect\n0.667062 0.989847 0.848224 Li\n0.345346 0.000349 0.096753 Li\n0.161249 0.490023 0.855831 Li\n0.358323 0.006478 0.579984 Li\n0.837144 0.826870 0.124918 Fe\n0.148362 0.835120 0.371074 Fe\n0.668041 0.653098 0.871983 Fe\n0.346340 0.665168 0.622792 Fe\n0.660449 0.324517 0.361210 Fe\n0.848023 0.181568 0.617523 Fe\n0.333401 0.343498 0.124394 Fe\n0.153731 0.163776 0.873670 Fe\n0.838904 0.840418 0.627701 B\n0.653600 0.659688 0.370602 B\n0.171564 0.831476 0.871774 B\n0.327363 0.677417 0.115347 B\n0.662453 0.328193 0.865551 B\n0.339280 0.325430 0.623704 B\n0.839105 0.159117 0.124036 B\n0.179736 0.173995 0.378581 B\n0.720421 0.978321 0.634307 O\n0.916118 0.832024 0.910014 O\n0.313686 0.957935 0.881797 O\n0.787728 0.784515 0.321376 O\n0.698051 0.714843 0.659885 O\n0.200914 0.810996 0.154676 O\n0.094541 0.829941 0.593938 O\n0.579430 0.695660 0.073869 O\n0.756191 0.522985 0.360827 O\n0.415503 0.684279 0.430332 O\n0.281143 0.697963 0.826180 O\n0.806926 0.451403 0.868892 O\n0.207532 0.547795 0.110036 O\n0.712670 0.284522 0.171658 O\n0.577547 0.305757 0.562907 O\n0.245171 0.461904 0.651860 O\n0.412526 0.323754 0.909963 O\n0.926639 0.193012 0.426753 O\n0.777187 0.195133 0.813811 O\n0.303634 0.300145 0.331141 O\n0.205443 0.193873 0.659874 O\n0.707020 0.027564 0.111087 O\n0.092291 0.165360 0.083013 O\n0.289356 0.037962 0.387664 O\n",
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{
"id": "mp-698432",
"created_at": "2022-09-04T14:45:16.374368Z",
"structure_string": "Cr2 Sb4 H24 C16 O8\n1.0\n5.756511 6.656481 0.000000\n-5.756511 6.656481 0.000000\n0.000000 4.805457 9.154375\nCr Sb H C O\n2 4 24 16 8\ndirect\n0.211379 0.211379 0.191267 Cr\n0.788621 0.788621 0.808733 Cr\n0.897984 0.222361 0.342966 Sb\n0.222361 0.897984 0.342966 Sb\n0.102016 0.777639 0.657034 Sb\n0.777639 0.102016 0.657034 Sb\n0.846866 0.545918 0.211538 H\n0.545918 0.846866 0.211538 H\n0.153134 0.454082 0.788462 H\n0.454082 0.153134 0.788462 H\n0.654308 0.451380 0.313994 H\n0.451380 0.654308 0.313994 H\n0.345692 0.548620 0.686006 H\n0.548620 0.345692 0.686006 H\n0.768971 0.501835 0.405385 H\n0.501835 0.768971 0.405385 H\n0.231029 0.498165 0.594615 H\n0.498165 0.231029 0.594615 H\n0.744873 0.137296 0.190956 H\n0.137296 0.744873 0.190956 H\n0.255127 0.862704 0.809044 H\n0.862704 0.255127 0.809044 H\n0.752793 0.965528 0.346189 H\n0.965528 0.752793 0.346189 H\n0.247207 0.034472 0.653811 H\n0.034472 0.247207 0.653811 H\n0.603642 0.124449 0.368273 H\n0.124449 0.603642 0.368273 H\n0.396358 0.875551 0.631727 H\n0.875551 0.396358 0.631727 H\n0.152461 0.152461 0.055495 C\n0.847539 0.847539 0.944505 C\n0.195177 0.427271 0.083061 C\n0.427271 0.195177 0.083061 C\n0.804823 0.572729 0.916939 C\n0.572729 0.804823 0.916939 C\n0.272539 0.272539 0.323196 C\n0.727461 0.727461 0.676804 C\n0.776826 0.460032 0.315097 C\n0.460032 0.776826 0.315097 C\n0.223174 0.539968 0.684903 C\n0.539968 0.223174 0.684903 C\n0.728478 0.096560 0.307998 C\n0.096560 0.728478 0.307998 C\n0.271522 0.903440 0.692002 C\n0.903440 0.271522 0.692002 C\n0.123322 0.123322 0.964776 O\n0.876678 0.876678 0.035224 O\n0.184604 0.563882 0.012843 O\n0.563882 0.184604 0.012843 O\n0.815396 0.436118 0.987157 O\n0.436118 0.815396 0.987157 O\n0.316208 0.316208 0.399538 O\n0.683792 0.683792 0.600462 O\n",
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],
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"formula_full": "Cr2 Sb4 H24 C16 O8",
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"spacegroup": 12
},
{
"id": "mp-558310",
"created_at": "2022-09-04T14:40:22.343914Z",
"structure_string": "Ba6 Li12 Si6 O24\n1.0\n4.091692 -7.087019 0.000000\n4.091692 7.087019 0.000000\n0.000000 0.000000 10.763525\nBa Li Si O\n6 12 6 24\ndirect\n0.430232 0.000000 0.726424 Ba\n0.569768 0.000000 0.226424 Ba\n0.430232 0.430232 0.226424 Ba\n0.000000 0.569768 0.226424 Ba\n0.000000 0.430232 0.726424 Ba\n0.569768 0.569768 0.726424 Ba\n0.225294 0.000000 0.079304 Li\n0.732811 0.000000 0.940789 Li\n0.000000 0.225294 0.079304 Li\n0.000000 0.732811 0.940789 Li\n0.774706 0.000000 0.579304 Li\n0.732811 0.732811 0.440789 Li\n0.000000 0.774706 0.579304 Li\n0.225294 0.225294 0.579304 Li\n0.000000 0.267189 0.440789 Li\n0.267189 0.000000 0.440789 Li\n0.267189 0.267189 0.940789 Li\n0.774706 0.774706 0.079304 Li\n0.666667 0.333333 0.982359 Si\n0.333333 0.666667 0.982359 Si\n0.000000 0.000000 0.311718 Si\n0.666667 0.333333 0.482359 Si\n0.000000 0.000000 0.811718 Si\n0.333333 0.666667 0.482359 Si\n0.192784 0.000000 0.265094 O\n0.333333 0.666667 0.329560 O\n0.192784 0.192784 0.765094 O\n0.807216 0.000000 0.765094 O\n0.775330 0.221590 0.033368 O\n0.221590 0.446260 0.533368 O\n0.446260 0.221590 0.533368 O\n0.666667 0.333333 0.829560 O\n0.000000 0.000000 0.969294 O\n0.775330 0.553740 0.533368 O\n0.224670 0.778410 0.533368 O\n0.446260 0.224670 0.033368 O\n0.778410 0.553740 0.033368 O\n0.000000 0.807216 0.765094 O\n0.221590 0.775330 0.033368 O\n0.224670 0.446260 0.033368 O\n0.000000 0.192784 0.265094 O\n0.553740 0.775330 0.533368 O\n0.807216 0.807216 0.265094 O\n0.000000 0.000000 0.469294 O\n0.778410 0.224670 0.533368 O\n0.333333 0.666667 0.829560 O\n0.666667 0.333333 0.329560 O\n0.553740 0.778410 0.033368 O\n",
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],
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"volume": 624.2392205086752,
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"formula_full": "Ba6 Li12 Si6 O24",
"formula_reduced": "BaLi2SiO4",
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"updated_at": "2021-11-28T01:34:56.101000Z",
"spacegroup": 185
},
{
"id": "mp-1179327",
"created_at": "2022-09-04T14:45:25.131524Z",
"structure_string": "U4 S4 N4 O36\n1.0\n18.642043 0.000000 0.000000\n0.000000 6.862105 0.000000\n0.000000 4.004017 7.873182\nU S N O\n4 4 4 36\ndirect\n0.930977 0.520235 0.865423 U\n0.430977 0.479765 0.634577 U\n0.069023 0.479765 0.134577 U\n0.569023 0.520235 0.365423 U\n0.869949 0.990159 0.469760 S\n0.369949 0.009841 0.030240 S\n0.130051 0.009841 0.530240 S\n0.630051 0.990159 0.969760 S\n0.868595 0.220638 0.485193 N\n0.368595 0.779362 0.014807 N\n0.131405 0.779362 0.514807 N\n0.631405 0.220638 0.985193 N\n0.861715 0.519154 0.009196 O\n0.361715 0.480846 0.490804 O\n0.138285 0.480846 0.990804 O\n0.638285 0.519154 0.509196 O\n0.984710 0.516443 0.696574 O\n0.484710 0.483557 0.803426 O\n0.015290 0.483557 0.303426 O\n0.515290 0.516443 0.196574 O\n0.001501 0.702930 0.939721 O\n0.501501 0.297070 0.560279 O\n0.998499 0.297070 0.060279 O\n0.498499 0.702930 0.439721 O\n0.870745 0.819365 0.653307 O\n0.370745 0.180635 0.846693 O\n0.129255 0.180635 0.346693 O\n0.629255 0.819365 0.153307 O\n0.803501 0.981658 0.386733 O\n0.303501 0.018342 0.113267 O\n0.196499 0.018342 0.613267 O\n0.696499 0.981658 0.886733 O\n0.935651 0.988778 0.381576 O\n0.435651 0.011222 0.118424 O\n0.064349 0.011222 0.618424 O\n0.564349 0.988778 0.881576 O\n0.875643 0.974340 0.047269 O\n0.375643 0.025660 0.452731 O\n0.124357 0.025660 0.952731 O\n0.624357 0.974340 0.547269 O\n0.856645 0.172144 0.927781 O\n0.356645 0.827856 0.572219 O\n0.143355 0.827856 0.072219 O\n0.643355 0.172144 0.427781 O\n0.674389 0.847008 0.625540 O\n0.174389 0.152992 0.874460 O\n0.325611 0.152992 0.374460 O\n0.825611 0.847008 0.125540 O\n",
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{
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"structure_string": "Nb4 P8 O28\n1.0\n8.457718 0.000000 0.000000\n0.000000 8.457718 0.000000\n0.000000 0.000000 8.457718\nNb P O\n4 8 28\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.108097 0.608097 0.891903 P\n0.108097 0.891903 0.391903 P\n0.391903 0.391903 0.391903 P\n0.391903 0.108097 0.891903 P\n0.608097 0.608097 0.608097 P\n0.608097 0.891903 0.108097 P\n0.891903 0.108097 0.608097 P\n0.891903 0.391903 0.108097 P\n0.059159 0.721969 0.423456 O\n0.076544 0.940841 0.221969 O\n0.278031 0.923456 0.440841 O\n0.500000 0.000000 0.000000 O\n0.559159 0.778031 0.576544 O\n0.559159 0.721969 0.076544 O\n0.576544 0.559159 0.778031 O\n0.576544 0.940841 0.278031 O\n0.721969 0.423456 0.059159 O\n0.778031 0.576544 0.559159 O\n0.778031 0.923456 0.059159 O\n0.923456 0.440841 0.278031 O\n0.940841 0.221969 0.076544 O\n0.000000 0.500000 0.000000 O\n0.059159 0.778031 0.923456 O\n0.076544 0.559159 0.721969 O\n0.221969 0.076544 0.940841 O\n0.221969 0.423456 0.440841 O\n0.278031 0.576544 0.940841 O\n0.423456 0.059159 0.721969 O\n0.423456 0.440841 0.221969 O\n0.440841 0.278031 0.923456 O\n0.440841 0.221969 0.423456 O\n0.500000 0.500000 0.500000 O\n0.721969 0.076544 0.559159 O\n0.923456 0.059159 0.778031 O\n0.940841 0.278031 0.576544 O\n0.000000 0.000000 0.500000 O\n",
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},
{
"id": "mp-1218681",
"created_at": "2022-09-04T14:48:06.915948Z",
"structure_string": "Sr12 Mn6 Cu3 O27\n1.0\n-7.943848 0.000000 0.000000\n0.029716 9.705644 0.000000\n-0.003138 -4.793419 -8.443021\nSr Mn Cu O\n12 6 3 27\ndirect\n0.499601 0.640610 0.639504 Sr\n0.503638 0.344984 0.993154 Sr\n0.495692 0.994059 0.359640 Sr\n0.241904 0.657698 0.968666 Sr\n0.250769 0.016002 0.684126 Sr\n0.250531 0.305001 0.330798 Sr\n0.750772 0.334219 0.303546 Sr\n0.753785 0.675583 0.014096 Sr\n0.753927 0.972608 0.666487 Sr\n0.999760 0.671996 0.672924 Sr\n0.998148 0.320161 0.993628 Sr\n0.003534 0.992662 0.326492 Sr\n0.163977 0.005212 0.001849 Mn\n0.836131 0.003070 0.001030 Mn\n0.074114 0.336161 0.666554 Mn\n0.925538 0.671036 0.340322 Mn\n0.407590 0.338062 0.668501 Mn\n0.593344 0.670098 0.338456 Mn\n0.741515 0.271671 0.606544 Cu\n0.257878 0.606819 0.272002 Cu\n0.499647 0.936658 0.999754 Cu\n0.999055 0.148320 0.157707 O\n0.998545 0.848595 0.003667 O\n0.002211 0.994511 0.847369 O\n0.275921 0.179365 0.008513 O\n0.308698 0.993929 0.154496 O\n0.308474 0.848015 0.841629 O\n0.693111 0.838744 0.846158 O\n0.725900 0.169477 0.991177 O\n0.687352 0.004530 0.158108 O\n0.242151 0.167075 0.513568 O\n0.242135 0.477081 0.641305 O\n0.242496 0.339870 0.820278 O\n0.757953 0.825969 0.342002 O\n0.758535 0.645035 0.479579 O\n0.756178 0.519966 0.172036 O\n0.067301 0.506992 0.324876 O\n0.070159 0.682361 0.191383 O\n0.036338 0.830393 0.512718 O\n0.965787 0.509378 0.826161 O\n0.930873 0.187476 0.677530 O\n0.931398 0.320887 0.503179 O\n0.451247 0.500580 0.319638 O\n0.446813 0.683254 0.189313 O\n0.478877 0.829851 0.515908 O\n0.521003 0.514423 0.828749 O\n0.550432 0.187359 0.682172 O\n0.549261 0.319197 0.499708 O\n",
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{
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