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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=22",
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"results": [
{
"id": "mp-1194124",
"created_at": "2022-09-04T14:41:20.192853Z",
"structure_string": "Yb4 Mo4 Br4 O16\n1.0\n-6.758615 0.000000 0.000000\n-0.165182 -7.053772 0.000000\n2.796621 3.135195 11.156955\nYb Mo Br O\n4 4 4 16\ndirect\n0.903166 0.865691 0.241004 Yb\n0.096834 0.134309 0.758996 Yb\n0.658833 0.368143 0.256718 Yb\n0.341167 0.631857 0.743282 Yb\n0.577053 0.186272 0.871178 Mo\n0.422947 0.813728 0.128822 Mo\n0.145767 0.418397 0.377566 Mo\n0.854233 0.581603 0.622434 Mo\n0.666445 0.034450 0.500402 Br\n0.333555 0.965550 0.499598 Br\n0.225070 0.292564 0.022847 Br\n0.774930 0.707436 0.977153 Br\n0.615292 0.277277 0.034246 O\n0.384708 0.722723 0.965754 O\n0.812738 0.146203 0.828741 O\n0.187262 0.853797 0.171259 O\n0.417419 0.340163 0.792781 O\n0.582581 0.659837 0.207219 O\n0.587769 0.030939 0.186555 O\n0.412231 0.969061 0.813445 O\n0.370209 0.367372 0.325046 O\n0.629791 0.632628 0.674954 O\n0.006026 0.599622 0.310658 O\n0.993974 0.400378 0.689342 O\n0.217715 0.496263 0.537116 O\n0.782285 0.503737 0.462884 O\n0.974026 0.197587 0.319885 O\n0.025974 0.802413 0.680115 O\n",
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"density_atomic": 0.052642102234482915,
"volume": 531.8936518773514,
"volume_molar": 11.439780146270888,
"formula_full": "Yb4 Mo4 Br4 O16",
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"formula_anonymous": "ABCD4",
"energy": -199.02567484,
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"spacegroup": 2
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{
"id": "mp-767268",
"created_at": "2022-09-04T14:41:20.196476Z",
"structure_string": "Li2 V18 O44\n1.0\n19.321226 0.000000 9.824956\n0.000000 3.656177 0.000000\n-2.725867 0.000000 9.915414\nLi V O\n2 18 44\ndirect\n0.158434 0.750000 0.439770 Li\n0.841566 0.250000 0.560229 Li\n0.027594 0.250000 0.381044 V\n0.091184 0.750000 0.774944 V\n0.061885 0.250000 0.032878 V\n0.254787 0.750000 0.803976 V\n0.283782 0.250000 0.546053 V\n0.367330 0.750000 0.958541 V\n0.313008 0.250000 0.196324 V\n0.406328 0.750000 0.605986 V\n0.429394 0.250000 0.348274 V\n0.570606 0.750000 0.651726 V\n0.593672 0.250000 0.394014 V\n0.686992 0.750000 0.803676 V\n0.632670 0.250000 0.041459 V\n0.716218 0.750000 0.453947 V\n0.745213 0.250000 0.196023 V\n0.938115 0.750000 0.967122 V\n0.908816 0.250000 0.225056 V\n0.972406 0.750000 0.618956 V\n0.005623 0.750000 0.420336 O\n0.078870 0.250000 0.830417 O\n0.012474 0.250000 0.210589 O\n0.095127 0.750000 0.611518 O\n0.045990 0.750000 0.998658 O\n0.104257 0.250000 0.363014 O\n0.171272 0.750000 0.786868 O\n0.247775 0.750000 0.963928 O\n0.131040 0.250000 0.064903 O\n0.213361 0.250000 0.507514 O\n0.264044 0.250000 0.746005 O\n0.237235 0.250000 0.232275 O\n0.301467 0.750000 0.571733 O\n0.353642 0.750000 0.787651 O\n0.333946 0.250000 0.364431 O\n0.441994 0.750000 0.939304 O\n0.389155 0.250000 0.578541 O\n0.334840 0.750000 0.159395 O\n0.343208 0.250000 0.999989 O\n0.425865 0.750000 0.404933 O\n0.479932 0.750000 0.637470 O\n0.437344 0.250000 0.188525 O\n0.562656 0.750000 0.811475 O\n0.520068 0.250000 0.362530 O\n0.574135 0.250000 0.595067 O\n0.665160 0.250000 0.840605 O\n0.610845 0.750000 0.421459 O\n0.558006 0.250000 0.060696 O\n0.666054 0.750000 0.635569 O\n0.646358 0.250000 0.212349 O\n0.698533 0.250000 0.428267 O\n0.762765 0.750000 0.767725 O\n0.656792 0.750000 0.000011 O\n0.735956 0.750000 0.253995 O\n0.786639 0.750000 0.492486 O\n0.868960 0.750000 0.935097 O\n0.752225 0.250000 0.036072 O\n0.828728 0.250000 0.213132 O\n0.895743 0.750000 0.636986 O\n0.954010 0.250000 0.001342 O\n0.904873 0.250000 0.388482 O\n0.987526 0.750000 0.789411 O\n0.921130 0.750000 0.169583 O\n0.994377 0.250000 0.579664 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.4002837288141605,
"density_atomic": 0.08016424635853338,
"volume": 798.3609016139311,
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"formula_full": "Li2 V18 O44",
"formula_reduced": "LiV9O22",
"formula_anonymous": "AB9C22",
"energy": -532.78876823,
"energy_per_atom": -8.32482450359375,
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"updated_at": "2021-11-28T01:35:20.681000Z",
"spacegroup": 11
},
{
"id": "mp-1232225",
"created_at": "2022-09-04T14:41:20.204087Z",
"structure_string": "Yb8 Mg4 Se16\n1.0\n5.486159 0.000000 0.000000\n0.000000 9.255774 0.000000\n0.000000 0.000000 13.446979\nYb Mg Se\n8 4 16\ndirect\n0.750000 0.013340 0.321955 Yb\n0.250000 0.986660 0.678045 Yb\n0.250000 0.486660 0.821955 Yb\n0.750000 0.513340 0.178045 Yb\n0.250000 0.091655 0.051302 Yb\n0.750000 0.908345 0.948698 Yb\n0.750000 0.408345 0.551302 Yb\n0.250000 0.591655 0.448698 Yb\n0.250000 0.177206 0.467129 Mg\n0.750000 0.822794 0.532871 Mg\n0.750000 0.322794 0.967129 Mg\n0.250000 0.677206 0.032871 Mg\n0.499241 0.176797 0.836455 Se\n0.500759 0.823203 0.163545 Se\n0.500759 0.323203 0.336455 Se\n0.499241 0.676797 0.663545 Se\n0.000759 0.676797 0.663545 Se\n0.999241 0.323203 0.336455 Se\n0.999241 0.823203 0.163545 Se\n0.000759 0.176797 0.836455 Se\n0.250000 0.911547 0.433018 Se\n0.750000 0.088453 0.566982 Se\n0.750000 0.588453 0.933018 Se\n0.250000 0.411547 0.066982 Se\n0.750000 0.152534 0.112268 Se\n0.250000 0.847466 0.887732 Se\n0.250000 0.347466 0.612268 Se\n0.750000 0.652534 0.387732 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Mg",
"Se"
],
"chemical_system": "Mg-Se-Yb",
"density": 6.675284284796097,
"density_atomic": 0.041006449944209385,
"volume": 682.819411046187,
"volume_molar": 14.685837882072992,
"formula_full": "Yb8 Mg4 Se16",
"formula_reduced": "Yb2MgSe4",
"formula_anonymous": "AB2C4",
"energy": -118.11105585,
"energy_per_atom": -4.218251994642857,
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"energy_uncorrected": -110.55905585,
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"updated_at": "2021-11-28T01:35:15.278000Z",
"spacegroup": 62
},
{
"id": "mp-30088",
"created_at": "2022-09-04T14:41:20.168156Z",
"structure_string": "Ba6 P8 O26\n1.0\n7.682792 0.000000 0.000000\n-1.902296 8.567520 0.000000\n-2.646438 -4.016639 9.639365\nBa P O\n6 8 26\ndirect\n0.151321 0.230138 0.230440 Ba\n0.848679 0.769862 0.769560 Ba\n0.636852 0.224150 0.730604 Ba\n0.363148 0.775850 0.269396 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n0.152629 0.522597 0.864620 P\n0.847371 0.477403 0.135380 P\n0.337700 0.460899 0.632991 P\n0.662300 0.539101 0.367009 P\n0.327105 0.798193 0.636863 P\n0.672895 0.201807 0.363137 P\n0.839914 0.816014 0.144878 P\n0.160086 0.183986 0.855122 P\n0.300261 0.168530 0.777292 O\n0.699739 0.831470 0.222708 O\n0.952096 0.104327 0.757021 O\n0.047904 0.895673 0.242979 O\n0.191793 0.122278 0.974528 O\n0.808207 0.877722 0.025472 O\n0.196468 0.388797 0.930110 O\n0.803532 0.611203 0.069890 O\n0.703229 0.143173 0.484311 O\n0.296771 0.856827 0.515689 O\n0.822681 0.198382 0.293805 O\n0.177319 0.801618 0.706195 O\n0.468480 0.112947 0.259279 O\n0.531520 0.887053 0.740721 O\n0.691251 0.405482 0.437021 O\n0.308749 0.594518 0.562979 O\n0.281591 0.694218 0.969571 O\n0.718409 0.305782 0.030429 O\n0.738205 0.711588 0.483866 O\n0.261795 0.288412 0.516134 O\n0.460385 0.488038 0.273714 O\n0.539615 0.511962 0.726286 O\n0.803463 0.534810 0.278924 O\n0.196537 0.465190 0.721076 O\n0.943602 0.500243 0.819074 O\n0.056398 0.499757 0.180926 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "Ba-O-P",
"density": 3.893610340282237,
"density_atomic": 0.06304307141733037,
"volume": 634.486853205634,
"volume_molar": 9.552422850934462,
"formula_full": "Ba6 P8 O26",
"formula_reduced": "Ba3P4O13",
"formula_anonymous": "A3B4C13",
"energy": -308.03583395000004,
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"updated_at": "2021-11-28T01:35:16.500000Z",
"spacegroup": 2
},
{
"id": "mp-775201",
"created_at": "2022-09-04T14:41:20.169648Z",
"structure_string": "Cr3 Fe1 P6 O24\n1.0\n8.820115 -0.030117 -0.020983\n4.649581 7.495114 -0.020983\n4.649582 2.576829 7.038261\nCr Fe P O\n3 1 6 24\ndirect\n0.142888 0.142888 0.142888 Cr\n0.357258 0.357258 0.357258 Cr\n0.642707 0.642707 0.642707 Cr\n0.856938 0.856938 0.856938 Fe\n0.034280 0.750584 0.464182 P\n0.464182 0.034280 0.750584 P\n0.750584 0.464182 0.034280 P\n0.252152 0.532366 0.966743 P\n0.532366 0.966743 0.252152 P\n0.966743 0.252152 0.532366 P\n0.136091 0.287002 0.501927 O\n0.287002 0.501927 0.136091 O\n0.062963 0.922844 0.280590 O\n0.501927 0.136091 0.287002 O\n0.218607 0.578760 0.429866 O\n0.015077 0.772481 0.634528 O\n0.280590 0.062963 0.922844 O\n0.429866 0.218607 0.578760 O\n0.578760 0.429866 0.218607 O\n0.222762 0.361927 0.992113 O\n0.080995 0.714323 0.942359 O\n0.361927 0.992113 0.222762 O\n0.634528 0.015077 0.772481 O\n0.922844 0.280590 0.062963 O\n0.772481 0.634528 0.015077 O\n0.426172 0.559314 0.783895 O\n0.559314 0.783895 0.426172 O\n0.714323 0.942359 0.080995 O\n0.992113 0.222762 0.361927 O\n0.783895 0.426172 0.559314 O\n0.491075 0.862964 0.721267 O\n0.942359 0.080995 0.714323 O\n0.721267 0.491075 0.862964 O\n0.862964 0.721267 0.491075 O\n",
"nsites": 34,
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"elements": [
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"Fe",
"P",
"O"
],
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"density": 2.778037060433129,
"density_atomic": 0.07276945939674208,
"volume": 467.2289760273002,
"volume_molar": 8.275643119961963,
"formula_full": "Cr3 Fe1 P6 O24",
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"formula_anonymous": "AB3C6D24",
"energy": -265.49502431,
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"updated_at": "2021-11-28T01:35:28.967000Z",
"spacegroup": 146
},
{
"id": "mp-1175015",
"created_at": "2022-09-04T14:41:20.181032Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.452968 4.931000 0.000000\n-1.452968 4.931000 0.000000\n0.000000 2.666132 15.115398\nLi Mn Co O\n7 2 3 12\ndirect\n0.751991 0.751991 0.907293 Li\n0.237141 0.237141 0.759362 Li\n0.752954 0.752954 0.591773 Li\n0.250899 0.250899 0.411837 Li\n0.749334 0.749334 0.245106 Li\n0.252093 0.252093 0.083676 Li\n0.502043 0.502043 0.835593 Li\n0.001185 0.001185 0.996166 Mn\n0.504597 0.504597 0.499804 Mn\n0.990212 0.990212 0.682425 Co\n0.004537 0.004537 0.329848 Co\n0.496671 0.496671 0.168052 Co\n0.116642 0.116642 0.889175 O\n0.614259 0.614259 0.703248 O\n0.114535 0.114535 0.533581 O\n0.616311 0.616311 0.379266 O\n0.117275 0.117275 0.206853 O\n0.605573 0.605573 0.044171 O\n0.389679 0.389679 0.964683 O\n0.873294 0.873294 0.784384 O\n0.395271 0.395271 0.615008 O\n0.893691 0.893691 0.460341 O\n0.384286 0.384286 0.287861 O\n0.885526 0.885526 0.120495 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.042309487045818,
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"volume": 216.59111384766558,
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.14383487,
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"updated_at": "2021-11-28T01:35:16.952000Z",
"spacegroup": 8
},
{
"id": "mp-1048889",
"created_at": "2022-09-04T14:41:20.193720Z",
"structure_string": "Mg2 Cr4 O8\n1.0\n5.242960 -2.993035 0.000000\n5.242960 2.993035 0.000000\n3.534335 0.000000 4.894422\nMg Cr O\n2 4 8\ndirect\n0.003333 0.003333 0.003333 Mg\n0.627182 0.627182 0.627182 Mg\n0.244757 0.244757 0.244757 Cr\n0.626082 0.626082 0.119590 Cr\n0.119590 0.626082 0.626082 Cr\n0.626082 0.119590 0.626082 Cr\n0.377959 0.851372 0.377959 O\n0.851372 0.377959 0.377959 O\n0.377959 0.377959 0.851372 O\n0.385221 0.385221 0.385221 O\n0.865095 0.865095 0.865095 O\n0.869063 0.869063 0.407243 O\n0.407243 0.869063 0.869063 O\n0.869063 0.407243 0.869063 O\n",
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"volume": 153.61009128006614,
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"formula_full": "Mg2 Cr4 O8",
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"spacegroup": 160
},
{
"id": "mp-1104162",
"created_at": "2022-09-04T14:41:20.198557Z",
"structure_string": "Mn4 Zn2 S8\n1.0\n0.000000 5.064443 5.064443\n5.064443 0.000000 5.064443\n5.064443 5.064443 0.000000\nMn Zn S\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.625000 0.625000 Mn\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Zn\n0.847714 0.384095 0.384095 S\n0.384095 0.847714 0.384095 S\n0.384095 0.384095 0.847714 S\n0.384095 0.384095 0.384095 S\n0.402286 0.865905 0.865905 S\n0.865905 0.402286 0.865905 S\n0.865905 0.865905 0.402286 S\n0.865905 0.865905 0.865905 S\n",
"nsites": 14,
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"elements": [
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],
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"volume": 259.79157225817147,
"volume_molar": 11.175010117145852,
"formula_full": "Mn4 Zn2 S8",
"formula_reduced": "Mn2ZnS4",
"formula_anonymous": "AB2C4",
"energy": -84.60045651,
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},
{
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}