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{
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"results": [
{
"id": "mp-778031",
"created_at": "2022-09-04T14:44:27.017434Z",
"structure_string": "Li12 V4 B8 O24\n1.0\n2.430312 -0.120320 7.707392\n6.650136 5.053025 -0.051576\n-6.673180 5.083982 -0.074726\nLi V B O\n12 4 8 24\ndirect\n0.115852 0.545933 0.293876 Li\n0.115851 0.045780 0.793738 Li\n0.884145 0.454223 0.706261 Li\n0.884147 0.954067 0.206124 Li\n0.424974 0.532487 0.132963 Li\n0.425069 0.032626 0.632837 Li\n0.574934 0.467375 0.867162 Li\n0.575028 0.967515 0.367037 Li\n0.727894 0.661274 0.187917 Li\n0.728041 0.161405 0.687871 Li\n0.271955 0.338596 0.812133 Li\n0.272102 0.838726 0.312087 Li\n0.780727 0.845869 0.793001 V\n0.219284 0.654127 0.707001 V\n0.780999 0.345774 0.293110 V\n0.219007 0.154223 0.206889 V\n0.596820 0.172611 0.987985 B\n0.596846 0.672662 0.488003 B\n0.403153 0.827336 0.011996 B\n0.403180 0.327388 0.512014 B\n0.076529 0.667747 0.998645 B\n0.076593 0.167653 0.498800 B\n0.923406 0.332347 0.001200 B\n0.923471 0.832254 0.501357 B\n0.289676 0.854665 0.860183 O\n0.289607 0.354591 0.360253 O\n0.710391 0.145410 0.139747 O\n0.710320 0.645336 0.639819 O\n0.072547 0.208937 0.001324 O\n0.072540 0.708956 0.501568 O\n0.927460 0.791046 0.998436 O\n0.927450 0.291062 0.498679 O\n0.611635 0.546613 0.341363 O\n0.611426 0.046407 0.841292 O\n0.388579 0.453592 0.658708 O\n0.388370 0.953385 0.158636 O\n0.483665 0.319021 0.981334 O\n0.483761 0.819061 0.481488 O\n0.516235 0.680935 0.018508 O\n0.516332 0.180976 0.518663 O\n0.188966 0.646244 0.144520 O\n0.189042 0.146119 0.644501 O\n0.810959 0.353879 0.855498 O\n0.811035 0.853758 0.355481 O\n0.897215 0.434147 0.161835 O\n0.897066 0.934173 0.661841 O\n0.102932 0.565831 0.838158 O\n0.102783 0.065857 0.338163 O\n",
"nsites": 48,
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"elements": [
"Li",
"V",
"B",
"O"
],
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"density_atomic": 0.09229167953132913,
"volume": 520.0902209576327,
"volume_molar": 6.525117746888262,
"formula_full": "Li12 V4 B8 O24",
"formula_reduced": "Li3V(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -356.46099076,
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"updated_at": "2021-11-28T01:36:39.363000Z",
"spacegroup": 2
},
{
"id": "mp-758230",
"created_at": "2022-09-04T14:47:06.689529Z",
"structure_string": "Li4 Mn6 P8 O28\n1.0\n7.387517 0.000000 0.000000\n0.000000 6.457261 0.000000\n0.000000 0.938372 13.874651\nLi Mn P O\n4 6 8 28\ndirect\n0.690568 0.567877 0.950655 Li\n0.823452 0.013728 0.566721 Li\n0.323452 0.986272 0.433279 Li\n0.190568 0.432123 0.049345 Li\n0.017418 0.830498 0.900680 Mn\n0.378967 0.269965 0.724971 Mn\n0.855737 0.546506 0.611549 Mn\n0.355737 0.453494 0.388451 Mn\n0.878967 0.730035 0.275029 Mn\n0.517418 0.169502 0.099320 Mn\n0.693545 0.102616 0.890645 P\n0.012572 0.361812 0.826845 P\n0.192138 0.875296 0.675177 P\n0.484019 0.649533 0.583110 P\n0.984019 0.350467 0.416890 P\n0.692138 0.124704 0.324823 P\n0.512572 0.638188 0.173155 P\n0.193545 0.897384 0.109355 P\n0.631064 0.251910 0.966397 O\n0.707486 0.874628 0.927163 O\n0.915294 0.150283 0.876463 O\n0.921053 0.532348 0.881913 O\n0.214761 0.339563 0.846497 O\n0.605141 0.149136 0.793724 O\n0.176353 0.887573 0.783584 O\n0.969421 0.367635 0.720021 O\n0.333015 0.679595 0.666118 O\n0.540462 0.422925 0.608864 O\n0.285526 0.065216 0.626119 O\n0.649140 0.789248 0.594937 O\n0.016475 0.818711 0.624068 O\n0.389950 0.689735 0.485128 O\n0.889950 0.310265 0.514872 O\n0.516475 0.181289 0.375932 O\n0.149140 0.210752 0.405063 O\n0.785526 0.934784 0.373881 O\n0.040462 0.577075 0.391136 O\n0.833015 0.320405 0.333882 O\n0.469421 0.632365 0.279979 O\n0.676353 0.112427 0.216416 O\n0.105141 0.850864 0.206276 O\n0.714761 0.660437 0.153503 O\n0.421053 0.467652 0.118087 O\n0.415294 0.849717 0.123537 O\n0.207486 0.125372 0.072837 O\n0.131064 0.748090 0.033603 O\n",
"nsites": 46,
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"elements": [
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"Mn",
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"O"
],
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"density_atomic": 0.0695006601661084,
"volume": 661.8642166859825,
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"formula_full": "Li4 Mn6 P8 O28",
"formula_reduced": "Li2Mn3(P2O7)2",
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"energy": -362.41842258,
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"updated_at": "2021-11-28T01:37:51.767000Z",
"spacegroup": 4
},
{
"id": "mp-505046",
"created_at": "2022-09-04T14:47:15.172314Z",
"structure_string": "Gd6 Sb10 O24\n1.0\n-5.499285 5.499285 5.499285\n5.499285 -5.499285 5.499285\n5.499285 5.499285 -5.499285\nGd Sb O\n6 10 24\ndirect\n0.250000 0.500000 0.750000 Gd\n0.500000 0.750000 0.250000 Gd\n0.500000 0.250000 0.750000 Gd\n0.750000 0.250000 0.500000 Gd\n0.250000 0.750000 0.500000 Gd\n0.750000 0.500000 0.250000 Gd\n0.717497 0.717497 0.000000 Sb\n0.282503 0.282503 0.000000 Sb\n0.717497 0.000000 0.717497 Sb\n0.282503 0.000000 0.282503 Sb\n0.000000 0.282503 0.282503 Sb\n0.000000 0.717497 0.717497 Sb\n0.000000 0.000000 0.489504 Sb\n0.489504 0.000000 0.000000 Sb\n0.000000 0.489504 0.000000 Sb\n0.510496 0.510496 0.510496 Sb\n0.294595 0.000000 0.495114 O\n0.200519 0.705405 0.705405 O\n0.000000 0.495114 0.294595 O\n0.504886 0.504886 0.799481 O\n0.495114 0.294595 0.000000 O\n0.705405 0.200519 0.705405 O\n0.504886 0.799481 0.504886 O\n0.294595 0.495114 0.000000 O\n0.799481 0.504886 0.504886 O\n0.000000 0.294595 0.495114 O\n0.705405 0.705405 0.200519 O\n0.495114 0.000000 0.294595 O\n0.800259 0.000000 0.524166 O\n0.723907 0.199741 0.199741 O\n0.000000 0.524166 0.800259 O\n0.475834 0.475834 0.276093 O\n0.524166 0.800259 0.000000 O\n0.199741 0.723907 0.199741 O\n0.475834 0.276093 0.475834 O\n0.800259 0.524166 0.000000 O\n0.276093 0.475834 0.475834 O\n0.000000 0.800259 0.524166 O\n0.199741 0.199741 0.723907 O\n0.524166 0.000000 0.800259 O\n",
"nsites": 40,
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"elements": [
"Gd",
"Sb",
"O"
],
"chemical_system": "Gd-O-Sb",
"density": 6.352911673565837,
"density_atomic": 0.06012863118990077,
"volume": 665.2404887393881,
"volume_molar": 10.015429656099476,
"formula_full": "Gd6 Sb10 O24",
"formula_reduced": "Gd3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy": -349.66554973,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:01.540000Z",
"spacegroup": 217
},
{
"id": "mp-752421",
"created_at": "2022-09-04T14:47:24.775173Z",
"structure_string": "Na10 Li2 Co4 P4 C4 O28\n1.0\n0.233702 5.197093 6.743084\n-0.200244 -5.185955 6.732462\n8.838668 0.022768 0.021802\nNa Li Co P C O\n10 2 4 4 4 28\ndirect\n0.488120 0.263321 0.914753 Na\n0.987902 0.763566 0.914689 Na\n0.134362 0.874342 0.266042 Na\n0.634357 0.374606 0.266436 Na\n0.375264 0.117091 0.263925 Na\n0.874838 0.617063 0.264208 Na\n0.864039 0.127484 0.728765 Na\n0.363648 0.628323 0.728413 Na\n0.621392 0.884058 0.731041 Na\n0.121957 0.384572 0.731099 Na\n0.512895 0.738426 0.106395 Li\n0.012796 0.236964 0.106041 Li\n0.763196 0.986504 0.343552 Co\n0.262768 0.486333 0.343830 Co\n0.737137 0.518881 0.648061 Co\n0.236608 0.020517 0.645820 Co\n0.484841 0.764551 0.410182 P\n0.984343 0.265045 0.410352 P\n0.513126 0.237194 0.582828 P\n0.012933 0.737405 0.582612 P\n0.731017 0.018726 0.059045 C\n0.231387 0.518309 0.058988 C\n0.272208 0.977653 0.948937 C\n0.772228 0.477844 0.949906 C\n0.320977 0.930341 0.081808 O\n0.820798 0.429812 0.082594 O\n0.844506 0.905451 0.116248 O\n0.344079 0.404316 0.116174 O\n0.631987 0.119353 0.154104 O\n0.132648 0.619306 0.154021 O\n0.444840 0.303518 0.430412 O\n0.945114 0.803056 0.429906 O\n0.335484 0.912526 0.444111 O\n0.835962 0.413922 0.443173 O\n0.661518 0.086662 0.550977 O\n0.162048 0.587336 0.551153 O\n0.553582 0.696938 0.562519 O\n0.051776 0.197710 0.563412 O\n0.348334 0.895997 0.828748 O\n0.848285 0.396260 0.829611 O\n0.150447 0.102704 0.931560 O\n0.651135 0.603535 0.932499 O\n0.716707 0.031282 0.914831 O\n0.217367 0.531372 0.914751 O\n0.431745 0.635383 0.309295 O\n0.931495 0.135515 0.309614 O\n0.613419 0.819176 0.308680 O\n0.114132 0.318150 0.309067 O\n0.382066 0.183035 0.682706 O\n0.882517 0.681903 0.682169 O\n0.567899 0.367733 0.680159 O\n0.065771 0.868924 0.679778 O\n",
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"elements": [
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],
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"density": 2.952838937560409,
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"volume": 618.2701972652495,
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"formula_full": "Na10 Li2 Co4 P4 C4 O28",
"formula_reduced": "Na5LiCo2P2(CO7)2",
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"energy": -358.99870324,
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"spacegroup": 6
},
{
"id": "mp-1204592",
"created_at": "2022-09-04T14:40:37.972190Z",
"structure_string": "Pb4 S12 O40\n1.0\n11.240802 0.000000 0.000000\n0.000000 8.779976 0.000000\n0.000000 0.000000 8.250679\nPb S O\n4 12 40\ndirect\n0.000000 0.783669 0.750000 Pb\n0.500000 0.716331 0.250000 Pb\n0.000000 0.216331 0.250000 Pb\n0.500000 0.283669 0.750000 Pb\n0.000000 0.784068 0.250000 S\n0.500000 0.715932 0.750000 S\n0.000000 0.215932 0.750000 S\n0.500000 0.284068 0.250000 S\n0.174292 0.570387 0.402591 S\n0.325708 0.929613 0.902591 S\n0.674292 0.929613 0.597409 S\n0.825708 0.570387 0.097409 S\n0.825708 0.429613 0.597409 S\n0.674292 0.070387 0.097409 S\n0.325708 0.070387 0.402591 S\n0.174292 0.429613 0.902591 S\n0.992538 0.867323 0.399564 O\n0.507462 0.632677 0.899564 O\n0.492538 0.632677 0.600436 O\n0.007462 0.867323 0.100436 O\n0.007462 0.132677 0.600436 O\n0.492538 0.367323 0.100436 O\n0.507462 0.367323 0.399564 O\n0.992538 0.132677 0.899564 O\n0.111442 0.675560 0.245828 O\n0.388558 0.824440 0.745828 O\n0.611442 0.824440 0.754172 O\n0.888558 0.675560 0.254172 O\n0.888558 0.324440 0.754172 O\n0.611442 0.175560 0.254172 O\n0.388558 0.175560 0.245828 O\n0.111442 0.324440 0.745828 O\n0.105570 0.430195 0.399917 O\n0.394430 0.069805 0.899917 O\n0.605570 0.069805 0.600083 O\n0.894430 0.430195 0.100083 O\n0.894430 0.569805 0.600083 O\n0.605570 0.930195 0.100083 O\n0.394430 0.930195 0.399917 O\n0.105570 0.569805 0.899917 O\n0.160272 0.662413 0.547386 O\n0.339728 0.837587 0.047386 O\n0.660272 0.837587 0.452614 O\n0.839728 0.662413 0.952614 O\n0.839728 0.337587 0.452614 O\n0.660272 0.162413 0.952614 O\n0.339728 0.162413 0.547386 O\n0.160272 0.337587 0.047386 O\n0.293273 0.559996 0.337307 O\n0.206727 0.940004 0.837307 O\n0.793273 0.940004 0.662693 O\n0.706727 0.559996 0.162693 O\n0.706727 0.440004 0.662693 O\n0.793273 0.059996 0.162693 O\n0.206727 0.059996 0.337307 O\n0.293273 0.440004 0.837307 O\n",
"nsites": 56,
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"elements": [
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"volume": 814.2922803980431,
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"formula_full": "Pb4 S12 O40",
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"formula_anonymous": "AB3C10",
"energy": -360.70649963,
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"updated_at": "2021-11-28T01:35:06.767000Z",
"spacegroup": 60
},
{
"id": "mp-754947",
"created_at": "2022-09-04T14:40:23.188100Z",
"structure_string": "K8 V4 P4 C4 O28\n1.0\n0.075260 -0.000735 5.637384\n19.581903 -0.000714 -0.214284\n-0.000262 6.728616 -0.000871\nK V P C O\n8 4 4 4 28\ndirect\n0.245825 0.118675 0.477642 K\n0.245728 0.618739 0.477626 K\n0.245957 0.118696 0.022317 K\n0.245567 0.618673 0.022435 K\n0.754799 0.381316 0.522591 K\n0.754230 0.881272 0.522383 K\n0.753946 0.381212 0.977788 K\n0.754122 0.881303 0.977652 K\n0.773509 0.679080 0.750121 V\n0.226137 0.820948 0.250017 V\n0.774014 0.179011 0.750027 V\n0.226355 0.320828 0.249873 V\n0.721883 0.216278 0.250080 P\n0.721570 0.716305 0.250054 P\n0.278381 0.283675 0.749934 P\n0.278345 0.783751 0.750043 P\n0.730489 0.052118 0.750011 C\n0.730445 0.552103 0.749999 C\n0.269443 0.447895 0.249980 C\n0.269408 0.947943 0.250016 C\n0.291424 0.011301 0.249958 O\n0.291450 0.511262 0.250017 O\n0.708228 0.488750 0.750119 O\n0.708474 0.988761 0.749948 O\n0.936256 0.084499 0.750027 O\n0.936212 0.584441 0.749459 O\n0.063794 0.415470 0.248748 O\n0.063692 0.915546 0.250096 O\n0.549826 0.095734 0.750068 O\n0.549880 0.595795 0.750492 O\n0.450202 0.404316 0.251194 O\n0.450059 0.904310 0.249993 O\n0.109722 0.220758 0.749908 O\n0.109484 0.720913 0.750162 O\n0.890756 0.279128 0.250379 O\n0.890503 0.779139 0.249899 O\n0.456210 0.238939 0.249036 O\n0.455891 0.738975 0.249940 O\n0.544207 0.261138 0.749976 O\n0.544024 0.761049 0.749651 O\n0.768045 0.172366 0.060674 O\n0.767333 0.672347 0.060654 O\n0.766850 0.172276 0.439507 O\n0.767424 0.672333 0.439416 O\n0.232434 0.327616 0.560568 O\n0.232173 0.827693 0.560664 O\n0.232602 0.327612 0.939403 O\n0.232687 0.827714 0.939456 O\n",
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"formula_full": "K8 V4 P4 C4 O28",
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"energy": -359.28134931,
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},
{
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}
]
}