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{
"count": 55712,
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"results": [
{
"id": "jvasp-98746",
"created_at": "2022-09-04T14:36:14.257866Z",
"updated_at": "2022-09-04T14:36:14.257885Z",
"structure_string": "Ho4 B28 Mo12\n1.0\n3.098765 -0.000000 0.000000\n-0.000000 11.025176 0.000000\n0.000000 0.000000 12.906663\nHo B Mo\n4 28 12\ndirect\n0.750001 0.949629 0.308291 Ho\n0.250000 0.050372 0.691709 Ho\n0.750001 0.449629 0.191709 Ho\n0.250000 0.550372 0.808291 Ho\n0.250000 0.314760 0.067191 B\n0.750001 0.185240 0.567191 B\n0.250000 0.814761 0.432809 B\n0.750001 0.567945 0.383921 B\n0.250000 0.432055 0.616079 B\n0.750001 0.067945 0.116079 B\n0.250000 0.932055 0.883921 B\n0.750001 0.537394 0.981655 B\n0.750001 0.037393 0.518345 B\n0.750001 0.685240 0.932808 B\n0.250000 0.962607 0.481655 B\n0.750001 0.751127 0.173580 B\n0.250000 0.248873 0.826420 B\n0.750001 0.251127 0.326420 B\n0.250000 0.748873 0.673580 B\n0.750001 0.731145 0.418266 B\n0.250000 0.268855 0.581734 B\n0.250000 0.462607 0.018345 B\n0.250000 0.835232 0.167623 B\n0.250000 0.335232 0.332376 B\n0.750001 0.231145 0.081734 B\n0.750001 0.164768 0.832376 B\n0.750001 0.510016 0.638319 B\n0.250000 0.489985 0.361681 B\n0.250000 0.768855 0.918266 B\n0.250000 0.989985 0.138319 B\n0.750001 0.664768 0.667623 B\n0.750001 0.010016 0.861681 B\n0.250000 0.617543 0.526955 Mo\n0.750001 0.382458 0.473045 Mo\n0.250000 0.117543 0.973045 Mo\n0.250000 0.660021 0.064834 Mo\n0.750001 0.339979 0.935166 Mo\n0.250000 0.160021 0.435166 Mo\n0.750001 0.839979 0.564834 Mo\n0.250000 0.685142 0.297527 Mo\n0.750001 0.314858 0.702473 Mo\n0.250000 0.185142 0.202473 Mo\n0.750001 0.814858 0.797527 Mo\n0.750001 0.882458 0.026955 Mo\n",
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{
"id": "jvasp-91246",
"created_at": "2022-09-04T14:36:14.618998Z",
"updated_at": "2022-09-04T14:36:14.619025Z",
"structure_string": "Zn4 P8 Pb4 O28\n1.0\n5.359748 0.000000 0.006153\n0.000000 8.327505 0.000000\n0.019718 0.000000 12.912677\nZn P Pb O\n4 8 4 28\ndirect\n0.169308 0.850620 0.894141 Zn\n0.830693 0.149379 0.105859 Zn\n0.669308 0.649379 0.394141 Zn\n0.330693 0.350621 0.605859 Zn\n0.750630 0.534309 0.162291 P\n0.678033 0.801085 0.018524 P\n0.178033 0.698915 0.518524 P\n0.749370 0.034309 0.337709 P\n0.249370 0.465691 0.837709 P\n0.250630 0.965691 0.662291 P\n0.321967 0.198915 0.981476 P\n0.821967 0.301085 0.481476 P\n0.790635 0.171564 0.779990 Pb\n0.290634 0.328436 0.279990 Pb\n0.209366 0.828435 0.220010 Pb\n0.709366 0.671564 0.720010 Pb\n0.396407 0.833136 0.022047 O\n0.103594 0.333136 0.477953 O\n0.603594 0.166863 0.977953 O\n0.896407 0.666863 0.522047 O\n0.720252 0.614068 0.048966 O\n0.779748 0.114069 0.451034 O\n0.021741 0.556947 0.195266 O\n0.796999 0.816656 0.910772 O\n0.478259 0.056948 0.304734 O\n0.978260 0.443052 0.804734 O\n0.521742 0.943052 0.695266 O\n0.672991 0.358783 0.151495 O\n0.827009 0.858782 0.348504 O\n0.327009 0.641217 0.848505 O\n0.172991 0.141217 0.651496 O\n0.566763 0.620356 0.235546 O\n0.220252 0.885931 0.548966 O\n0.933238 0.120357 0.264454 O\n0.066763 0.879643 0.735546 O\n0.817223 0.901152 0.100633 O\n0.682777 0.401152 0.399367 O\n0.182777 0.098848 0.899367 O\n0.317223 0.598847 0.600633 O\n0.296999 0.683343 0.410772 O\n0.203002 0.183344 0.089228 O\n0.703002 0.316656 0.589228 O\n0.433238 0.379643 0.764454 O\n0.279748 0.385931 0.951034 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Zn",
"P",
"Pb",
"O"
],
"chemical_system": "O-P-Pb-Zn",
"density": 5.146436794354941,
"density_atomic": 0.0763445214510515,
"volume": 576.3347410358806,
"volume_molar": 7.888111216809593,
"formula_full": "Zn4 P8 Pb4 O28",
"formula_reduced": "ZnP2PbO7",
"formula_anonymous": "ABC2D7",
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"spacegroup": 14
},
{
"id": "jvasp-99314",
"created_at": "2022-09-04T14:36:32.280374Z",
"updated_at": "2022-09-04T14:36:32.280405Z",
"structure_string": "Ca4 Cu4 P8 O28\n1.0\n5.249704 0.000000 -0.115806\n0.000000 8.063472 0.000000\n0.016553 0.000000 12.304961\nCa Cu P O\n4 4 8 28\ndirect\n0.786985 0.179746 0.777623 Ca\n0.713013 0.679746 0.722376 Ca\n0.286986 0.320254 0.277623 Ca\n0.213013 0.820254 0.222376 Ca\n0.796424 0.139439 0.110661 Cu\n0.703575 0.639439 0.389338 Cu\n0.203575 0.860561 0.889338 Cu\n0.296424 0.360561 0.610661 Cu\n0.756676 0.526584 0.161959 P\n0.743322 0.026585 0.338040 P\n0.243322 0.473415 0.838041 P\n0.312286 0.201012 0.986335 P\n0.187713 0.701011 0.513665 P\n0.687713 0.798988 0.013665 P\n0.812286 0.298988 0.486335 P\n0.256677 0.973415 0.661959 P\n0.348863 0.604351 0.599611 O\n0.431669 0.375255 0.768001 O\n0.068330 0.875255 0.731999 O\n0.568329 0.624745 0.231999 O\n0.931669 0.124745 0.268000 O\n0.151136 0.104351 0.900389 O\n0.718640 0.319682 0.600672 O\n0.154411 0.150229 0.654160 O\n0.781358 0.819682 0.899327 O\n0.281359 0.680318 0.399327 O\n0.218640 0.180318 0.100672 O\n0.599215 0.165854 0.969572 O\n0.900783 0.665854 0.530427 O\n0.400784 0.834146 0.030427 O\n0.099216 0.334146 0.469572 O\n0.968223 0.459509 0.798157 O\n0.651136 0.395649 0.400389 O\n0.531775 0.959509 0.701843 O\n0.468223 0.040490 0.298157 O\n0.262722 0.395439 0.958196 O\n0.237277 0.895439 0.541804 O\n0.737277 0.604560 0.041804 O\n0.762721 0.104560 0.458196 O\n0.654411 0.349771 0.154160 O\n0.845587 0.849771 0.345839 O\n0.345588 0.650229 0.845839 O\n0.031776 0.540490 0.201843 O\n0.848863 0.895649 0.099611 O\n",
"nsites": 44,
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"elements": [
"Ca",
"Cu",
"P",
"O"
],
"chemical_system": "Ca-Cu-O-P",
"density": 3.5393816838525285,
"density_atomic": 0.08447002998804283,
"volume": 520.894807379948,
"volume_molar": 7.12932238907985,
"formula_full": "Ca4 Cu4 P8 O28",
"formula_reduced": "CaCuP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.206174215454545,
"spacegroup": 14
},
{
"id": "jvasp-32740",
"created_at": "2022-09-04T14:36:48.152841Z",
"updated_at": "2022-09-04T14:36:48.152865Z",
"structure_string": "B4 H32 C4 N4\n1.0\n4.900170 0.000000 0.000000\n-0.000000 6.449533 0.000000\n0.000000 0.000000 10.741604\nB H C N\n4 32 4 4\ndirect\n0.816784 0.250000 0.470598 B\n0.683216 0.250000 0.970597 B\n0.183216 0.750000 0.529402 B\n0.316784 0.750000 0.029402 B\n0.120859 0.250000 0.762345 H\n0.316039 0.750000 0.915446 H\n0.226059 0.121982 0.461202 H\n0.794120 0.404723 0.927823 H\n0.294120 0.904723 0.572176 H\n0.205880 0.904723 0.072177 H\n0.816039 0.250000 0.584554 H\n0.205880 0.595277 0.072177 H\n0.705880 0.095277 0.427823 H\n0.794120 0.095277 0.927823 H\n0.437392 0.111718 0.748585 H\n0.937392 0.888282 0.751414 H\n0.726059 0.621982 0.038798 H\n0.726059 0.878017 0.038798 H\n0.273941 0.121982 0.961201 H\n0.273941 0.378017 0.961201 H\n0.773941 0.621982 0.538798 H\n0.062608 0.388282 0.248586 H\n0.294120 0.595277 0.572176 H\n0.379141 0.250000 0.262345 H\n0.226059 0.378017 0.461202 H\n0.562608 0.611717 0.251414 H\n0.937392 0.611717 0.751414 H\n0.183961 0.750000 0.415446 H\n0.620859 0.750000 0.737654 H\n0.562608 0.888282 0.251414 H\n0.879141 0.750000 0.237655 H\n0.773941 0.878017 0.538798 H\n0.437392 0.388282 0.748585 H\n0.705880 0.404723 0.427823 H\n0.683961 0.250000 0.084554 H\n0.062608 0.111718 0.248586 H\n0.838356 0.750000 0.712818 C\n0.661644 0.750000 0.212818 C\n0.338356 0.250000 0.787182 C\n0.161644 0.250000 0.287182 C\n0.627127 0.750000 0.075438 N\n0.127127 0.250000 0.424562 N\n0.872873 0.750000 0.575438 N\n0.372873 0.250000 0.924562 N\n",
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],
"chemical_system": "B-C-H-N",
"density": 0.8783522438971822,
"density_atomic": 0.12961167480879646,
"volume": 339.4755917235769,
"volume_molar": 4.6462949953265245,
"formula_full": "B4 H32 C4 N4",
"formula_reduced": "BH8CN",
"formula_anonymous": "ABCD8",
"energy_above_hull": 3.967564166666667,
"spacegroup": 62
},
{
"id": "jvasp-87198",
"created_at": "2022-09-04T14:36:03.794445Z",
"updated_at": "2022-09-04T14:36:03.794463Z",
"structure_string": "Ba4 V8 Cd4 O28\n1.0\n5.755142 -0.000000 0.000000\n0.000000 7.458863 0.000000\n0.000000 0.000000 15.515453\nBa V Cd O\n4 8 4 28\ndirect\n0.250000 0.142707 0.287874 Ba\n0.250000 0.357292 0.787874 Ba\n0.750000 0.857292 0.712126 Ba\n0.750000 0.642707 0.212126 Ba\n0.750000 0.304478 0.440222 V\n0.250000 0.804477 0.059778 V\n0.750000 0.195522 0.940222 V\n0.250000 0.695522 0.559778 V\n0.750000 0.164465 0.141744 V\n0.250000 0.835534 0.858256 V\n0.250000 0.664465 0.358256 V\n0.750000 0.335534 0.641744 V\n0.250000 0.119586 0.551129 Cd\n0.750000 0.880414 0.448871 Cd\n0.750000 0.619586 0.948871 Cd\n0.250000 0.380414 0.051129 Cd\n0.488998 0.698350 0.848666 O\n0.250000 0.979489 0.775015 O\n0.750000 0.020511 0.224984 O\n0.750000 0.479489 0.724984 O\n0.250000 0.520511 0.275015 O\n0.988998 0.301649 0.151334 O\n0.250000 0.920964 0.151439 O\n0.011002 0.698350 0.848666 O\n0.750000 0.079036 0.848560 O\n0.750000 0.420964 0.348561 O\n0.250000 0.579035 0.651439 O\n0.990424 0.337087 0.942200 O\n0.490425 0.662913 0.057800 O\n0.009575 0.837087 0.557800 O\n0.509575 0.162913 0.442200 O\n0.009575 0.662913 0.057800 O\n0.511002 0.198351 0.651334 O\n0.509575 0.337087 0.942200 O\n0.490425 0.837087 0.557800 O\n0.250000 0.942837 0.964044 O\n0.750000 0.057162 0.035956 O\n0.750000 0.442838 0.535956 O\n0.250000 0.557162 0.464044 O\n0.488998 0.801649 0.348666 O\n0.988998 0.198351 0.651334 O\n0.511002 0.301649 0.151334 O\n0.990424 0.162913 0.442200 O\n0.011002 0.801649 0.348666 O\n",
"nsites": 44,
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],
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"density": 4.623545327979813,
"density_atomic": 0.06606319025422,
"volume": 666.028991798339,
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"formula_full": "Ba4 V8 Cd4 O28",
"formula_reduced": "BaV2CdO7",
"formula_anonymous": "ABC2D7",
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"spacegroup": 62
},
{
"id": "jvasp-91251",
"created_at": "2022-09-04T14:36:03.004423Z",
"updated_at": "2022-09-04T14:36:03.004447Z",
"structure_string": "Tm8 Si8 O28\n1.0\n6.575453 -0.019649 -0.152593\n-0.258638 6.569166 -0.507235\n-0.048226 -0.011895 11.962471\nTm Si O\n8 8 28\ndirect\n0.454356 0.172243 0.885817 Tm\n0.820484 0.327173 0.111988 Tm\n0.179515 0.672828 0.888012 Tm\n0.871364 0.709185 0.634926 Tm\n0.545642 0.827758 0.114183 Tm\n0.616555 0.591574 0.356913 Tm\n0.383443 0.408427 0.643086 Tm\n0.128635 0.290816 0.365074 Tm\n0.639662 0.124732 0.377173 Si\n0.121545 0.779938 0.405412 Si\n0.878454 0.220063 0.594588 Si\n0.360336 0.875269 0.622827 Si\n0.988780 0.163540 0.826492 Si\n0.658885 0.647796 0.885784 Si\n0.341113 0.352205 0.114215 Si\n0.011218 0.836461 0.173507 Si\n0.274216 0.599464 0.375803 O\n0.725782 0.400537 0.624196 O\n0.912164 0.673244 0.449204 O\n0.087835 0.326757 0.550796 O\n0.098454 0.942441 0.305675 O\n0.901544 0.057560 0.694324 O\n0.502145 0.483156 0.813749 O\n0.885881 0.636077 0.215319 O\n0.497853 0.516845 0.186251 O\n0.502533 0.835350 0.917688 O\n0.497466 0.164652 0.082311 O\n0.856604 0.708768 0.816209 O\n0.143394 0.291234 0.183790 O\n0.728245 0.582727 0.008804 O\n0.271753 0.417274 0.991196 O\n0.569425 0.911808 0.306752 O\n0.799367 0.205903 0.908463 O\n0.430573 0.088193 0.693248 O\n0.542174 0.725516 0.580247 O\n0.787140 0.284604 0.311078 O\n0.212859 0.715397 0.688922 O\n0.781208 0.069184 0.487477 O\n0.218791 0.930817 0.512523 O\n0.151351 0.011752 0.876786 O\n0.848648 0.988249 0.123214 O\n0.114117 0.363924 0.784681 O\n0.457824 0.274485 0.419753 O\n0.200631 0.794098 0.091537 O\n",
"nsites": 44,
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"elements": [
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],
"chemical_system": "O-Si-Tm",
"density": 6.506671912218215,
"density_atomic": 0.08517688465017001,
"volume": 516.572074462601,
"volume_molar": 7.0701585115886,
"formula_full": "Tm8 Si8 O28",
"formula_reduced": "Tm2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5287391090909086,
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},
{
"id": "jvasp-96166",
"created_at": "2022-09-04T14:36:03.642533Z",
"updated_at": "2022-09-04T14:36:03.642548Z",
"structure_string": "Rb4 P4 H16 O20\n1.0\n6.910096 0.000000 -1.793895\n0.000000 7.735656 0.000000\n0.089517 0.000000 9.440104\nRb P H O\n4 4 16 20\ndirect\n0.823325 0.221289 0.459504 Rb\n0.176676 0.721289 0.040496 Rb\n0.176676 0.778712 0.540496 Rb\n0.823325 0.278712 0.959504 Rb\n0.367445 0.209977 0.151148 P\n0.632555 0.709978 0.348852 P\n0.632556 0.790023 0.848852 P\n0.367446 0.290023 0.651148 P\n0.362395 0.175733 0.441294 H\n0.637606 0.675734 0.058706 H\n0.362395 0.324267 0.941294 H\n0.120745 0.409738 0.277110 H\n0.879256 0.909738 0.222890 H\n0.879256 0.590262 0.722890 H\n0.120745 0.090262 0.777110 H\n0.637606 0.824267 0.558706 H\n0.066813 0.016463 0.211559 H\n0.066813 0.483537 0.711559 H\n0.933188 0.983537 0.788441 H\n0.577715 0.509115 0.668353 H\n0.422287 0.009114 0.831647 H\n0.422286 0.490886 0.331647 H\n0.577714 0.990886 0.168353 H\n0.933188 0.516463 0.288442 H\n0.569834 0.378352 0.653319 O\n0.202242 0.086360 0.098049 O\n0.797759 0.586360 0.401951 O\n0.003350 0.034802 0.719006 O\n0.202242 0.413641 0.598049 O\n0.430168 0.878352 0.846681 O\n0.996651 0.534803 0.780994 O\n0.797759 0.913641 0.901951 O\n0.430167 0.621648 0.346681 O\n0.639464 0.868390 0.457410 O\n0.360537 0.131611 0.542590 O\n0.639464 0.631611 0.957410 O\n0.360537 0.368389 0.042590 O\n0.377391 0.208480 0.801299 O\n0.622610 0.708481 0.698701 O\n0.622610 0.791520 0.198702 O\n0.377391 0.291520 0.301299 O\n0.996651 0.965198 0.280994 O\n0.569833 0.121648 0.153320 O\n0.003350 0.465198 0.219007 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 2.632287752960086,
"density_atomic": 0.08698149400932596,
"volume": 505.8547280790833,
"volume_molar": 6.923473583190374,
"formula_full": "Rb4 P4 H16 O20",
"formula_reduced": "RbPH4O5",
"formula_anonymous": "ABC4D5",
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"spacegroup": 14
},
{
"id": "jvasp-98331",
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