HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=198",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=196",
"results": [
{
"id": "jvasp-112224",
"created_at": "2022-09-04T14:38:45.855592Z",
"updated_at": "2022-09-04T14:38:45.855630Z",
"structure_string": "H28 C18 O12\n1.0\n8.631297 0.000000 -1.377282\n0.000000 5.005919 0.000000\n0.002244 0.000000 10.383371\nH C O\n28 18 12\ndirect\n0.152849 0.216807 0.639910 H\n0.821691 0.128556 0.280660 H\n0.178309 0.628556 0.719340 H\n0.963202 0.256848 0.106229 H\n0.036798 0.756848 0.893771 H\n0.071191 0.367061 0.254775 H\n0.928809 0.867061 0.745225 H\n0.591986 0.692012 0.008921 H\n0.408014 0.192012 -0.008921 H\n0.719683 0.435840 0.970861 H\n0.574137 0.949573 0.315889 H\n0.425863 0.449572 0.684112 H\n0.645262 0.193497 0.524849 H\n0.354737 0.693497 0.475151 H\n0.280316 0.935840 0.029139 H\n0.004174 0.070367 0.485063 H\n0.847151 0.716807 0.360090 H\n0.377824 0.135805 0.527781 H\n0.995826 0.570367 0.514937 H\n0.392609 0.726594 0.866229 H\n0.607391 0.226594 0.133771 H\n0.650371 0.027428 0.869328 H\n0.622175 0.635805 0.472219 H\n0.617618 0.768599 0.749491 H\n0.382381 0.268599 0.250509 H\n0.776683 0.225636 0.739109 H\n0.223316 0.725636 0.260891 H\n0.349629 0.527428 0.130672 H\n0.349739 0.994123 0.601720 C\n0.396488 0.483529 0.233287 C\n0.603512 0.983529 0.766713 C\n0.666096 0.413070 0.168241 C\n0.333904 0.913071 0.831759 C\n0.567307 0.562894 0.259394 C\n0.432693 0.062894 0.740606 C\n0.650261 0.494123 0.398280 C\n0.820256 0.506605 0.378723 C\n0.307972 0.069526 0.952400 C\n0.822075 0.341104 0.254732 C\n0.177924 0.841105 0.745268 C\n0.962343 0.396548 0.187734 C\n0.037656 0.896548 0.812266 C\n0.957578 0.674319 0.134472 C\n0.042422 0.174318 0.865528 C\n0.692028 0.569526 0.047600 C\n0.179744 0.006605 0.621277 C\n0.928861 0.414126 0.487761 O\n0.071138 0.914126 0.512239 O\n0.069790 0.828151 0.145204 O\n0.930210 0.328151 0.854796 O\n0.820629 0.763908 0.072329 O\n0.580812 0.843732 0.236389 O\n0.311051 0.634778 0.316172 O\n0.688948 0.134778 0.683828 O\n0.419187 0.343732 0.763611 O\n0.392633 0.727965 0.569671 O\n0.179371 0.263908 0.927671 O\n0.607367 0.227965 0.430329 O\n",
"nsites": 58,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.615207397800918,
"density_atomic": 0.12927506551710163,
"volume": 448.65573858345675,
"volume_molar": 4.658393121605758,
"formula_full": "H28 C18 O12",
"formula_reduced": "H14(C3O2)3",
"formula_anonymous": "A6B9C14",
"energy_above_hull": 4.626704862068965,
"spacegroup": 4
},
{
"id": "jvasp-120577",
"created_at": "2022-09-04T14:38:46.367292Z",
"updated_at": "2022-09-04T14:38:46.367319Z",
"structure_string": "Li2 P4 W2 O14\n1.0\n8.478305 0.000000 0.000000\n-0.000000 4.601045 1.642042\n-0.000000 0.012538 7.074897\nLi P W O\n2 4 2 14\ndirect\n0.888223 0.185827 0.329343 Li\n0.388223 0.814173 0.670657 Li\n0.461622 0.806987 0.076161 P\n0.068176 0.591214 0.532964 P\n0.568176 0.408785 0.467036 P\n0.961622 0.193013 0.923839 P\n0.245821 0.215701 0.271778 W\n0.745821 0.784299 0.728223 W\n0.544120 0.875532 0.873319 O\n0.931849 0.921968 0.869834 O\n0.712734 0.208538 0.506455 O\n0.412258 0.241673 0.487537 O\n0.563069 0.607313 0.594279 O\n0.063069 0.392687 0.405721 O\n0.044120 0.124467 0.126681 O\n0.212734 0.791462 0.493546 O\n0.431849 0.078032 0.130166 O\n0.090085 0.392579 0.764752 O\n0.590085 0.607421 0.235248 O\n0.311193 0.631623 0.080477 O\n0.912258 0.758326 0.512463 O\n0.811193 0.368376 0.919523 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"P",
"W",
"O"
],
"chemical_system": "Li-O-P-W",
"density": 4.391702830664739,
"density_atomic": 0.07976489633480682,
"volume": 275.8105508926727,
"volume_molar": 7.549863457130995,
"formula_full": "Li2 P4 W2 O14",
"formula_reduced": "LiP2WO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.271224136363636,
"spacegroup": 4
},
{
"id": "jvasp-112234",
"created_at": "2022-09-04T14:38:46.442920Z",
"updated_at": "2022-09-04T14:38:46.442944Z",
"structure_string": "H32 C20 O8\n1.0\n5.188925 0.000000 -2.118330\n0.000000 14.620964 0.000000\n-0.002281 0.000000 6.246791\nH C O\n32 20 8\ndirect\n0.899783 0.502052 0.752293 H\n0.412318 0.023422 0.461877 H\n0.587683 0.523422 0.538123 H\n0.860846 0.515515 0.457548 H\n0.639477 0.207824 0.896238 H\n0.360524 0.707824 0.103762 H\n0.002342 0.308403 0.126669 H\n-0.002342 0.808403 0.873331 H\n0.433057 0.167759 0.206941 H\n0.566944 0.667759 0.793059 H\n0.108288 0.159186 0.004342 H\n0.891713 0.659186 0.995658 H\n0.205050 0.357890 0.520315 H\n0.794951 0.857890 0.479685 H\n0.181205 0.201507 0.694268 H\n0.818796 0.701507 0.305732 H\n0.139155 0.015515 0.542452 H\n0.174028 0.645072 0.580897 H\n0.825973 0.145072 0.419103 H\n0.100218 0.002052 0.247707 H\n0.295423 0.794384 0.520818 H\n0.704578 0.294384 0.479183 H\n0.313275 0.853801 0.278371 H\n0.686726 0.353802 0.721629 H\n0.496553 0.047745 0.980271 H\n0.585683 0.963546 0.200340 H\n0.414318 0.463546 0.799661 H\n0.306203 0.945406 0.945758 H\n0.693798 0.445406 0.054242 H\n0.243354 0.580199 0.255341 H\n0.756647 0.080199 0.744659 H\n0.503448 0.547745 0.019729 H\n0.331319 0.427687 0.093715 C\n0.668682 0.927687 0.906285 C\n0.793134 0.539340 0.592100 C\n0.498476 0.474146 0.987806 C\n0.398134 0.798471 0.402092 C\n0.601867 0.298471 0.597908 C\n0.501525 0.974146 0.012194 C\n0.585221 0.205264 0.707950 C\n0.206867 0.039341 0.407900 C\n0.414780 0.705263 0.292050 C\n0.796891 0.785987 0.790315 C\n0.845447 0.641390 0.633937 C\n0.203110 0.285987 0.209685 C\n0.231565 0.183545 0.176689 C\n0.768436 0.683545 0.823311 C\n0.302461 0.300921 0.473183 C\n0.697540 0.800921 0.526817 C\n0.284280 0.204544 0.576337 C\n0.715721 0.704544 0.423664 C\n0.154554 0.141391 0.366064 C\n0.737618 0.137221 0.653505 O\n0.262383 0.637221 0.346495 O\n0.183606 0.467820 0.167353 O\n0.122069 0.656503 0.713848 O\n0.354072 0.336385 0.098431 O\n0.645929 0.836385 0.901569 O\n0.816395 0.967820 0.832647 O\n0.877932 0.156503 0.286152 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.403350535302032,
"density_atomic": 0.12662096453084135,
"volume": 473.8551804775241,
"volume_molar": 4.7560376611514235,
"formula_full": "H32 C20 O8",
"formula_reduced": "H8C5O2",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.580653799999999,
"spacegroup": 4
},
{
"id": "jvasp-112240",
"created_at": "2022-09-04T14:38:46.569151Z",
"updated_at": "2022-09-04T14:38:46.569182Z",
"structure_string": "H28 C12 O12\n1.0\n4.374837 0.000000 -2.265654\n0.000000 18.138726 0.000000\n-0.085453 0.000000 4.856830\nH C O\n28 12 12\ndirect\n0.670669 0.510170 0.242481 H\n0.129549 0.630583 -0.023999 H\n0.870451 0.130583 0.024000 H\n0.049849 0.206111 0.778986 H\n0.571077 0.778472 0.219530 H\n0.428925 0.278472 0.780472 H\n0.763043 0.849268 0.647794 H\n0.236958 0.349268 0.352208 H\n0.127282 0.919444 0.031699 H\n0.872720 0.419444 0.968302 H\n0.021808 0.018207 0.257622 H\n0.978194 0.518207 0.742379 H\n0.584971 0.609757 -0.014769 H\n0.415030 0.109757 0.014770 H\n-0.049848 0.706111 0.221014 H\n0.615259 0.065170 0.386294 H\n0.329332 0.010170 0.757521 H\n0.425810 0.469368 0.378252 H\n0.431862 0.390271 0.991772 H\n0.568140 0.890271 0.008230 H\n0.892641 0.325272 0.627861 H\n0.574191 0.969368 0.621749 H\n0.859717 0.247032 0.214661 H\n0.140284 0.747032 0.785341 H\n0.395650 0.186055 0.409737 H\n0.604352 0.686055 0.590265 H\n0.107360 0.825272 0.372141 H\n0.384743 0.565170 0.613708 H\n0.649205 0.251650 0.239512 C\n0.378187 0.611879 0.754209 C\n0.621814 0.111879 0.245792 C\n0.380425 0.683393 0.589501 C\n0.619577 0.183393 0.410501 C\n0.350796 0.751650 0.760490 C\n0.331015 0.824051 0.587115 C\n0.351032 0.892063 0.784915 C\n0.648970 0.392063 0.215087 C\n0.351669 0.963983 0.622899 C\n0.648332 0.463983 0.377103 C\n0.668986 0.324051 0.412886 C\n0.100324 0.966233 0.308281 O\n0.899677 0.466233 0.691720 O\n0.103434 0.603135 0.785800 O\n0.896567 0.103134 0.214201 O\n0.149102 0.681892 0.265937 O\n0.615657 0.750696 0.066304 O\n0.384344 0.250696 0.933697 O\n0.561080 0.828119 0.487103 O\n0.438921 0.328118 0.512899 O\n0.905285 0.388070 0.151767 O\n0.850899 0.181892 0.734064 O\n0.094716 0.888070 0.848235 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5842143727347369,
"density_atomic": 0.13616238361968755,
"volume": 381.8969572774237,
"volume_molar": 4.422763908731446,
"formula_full": "H28 C12 O12",
"formula_reduced": "H7(CO)3",
"formula_anonymous": "A3B3C7",
"energy_above_hull": 4.0539985000000005,
"spacegroup": 4
},
{
"id": "jvasp-112246",
"created_at": "2022-09-04T14:38:46.660505Z",
"updated_at": "2022-09-04T14:38:46.660533Z",
"structure_string": "H20 C14 O10\n1.0\n5.077646 0.000000 -0.324795\n0.000000 7.692900 0.000000\n-0.004335 0.000000 9.600215\nH C O\n20 14 10\ndirect\n0.580382 0.066294 0.264059 H\n0.880453 0.833504 0.309586 H\n0.119547 0.333504 0.690413 H\n0.683728 0.144773 0.774062 H\n0.316272 0.644773 0.225937 H\n0.928072 0.094749 0.909404 H\n0.071928 0.594749 0.090595 H\n0.031527 0.521029 0.265080 H\n0.390139 0.764976 0.967185 H\n0.609861 0.264976 0.032814 H\n0.968473 0.021029 0.734919 H\n0.379735 0.408001 0.941539 H\n0.360629 -0.007148 0.942507 H\n0.639370 0.492852 0.057492 H\n0.408576 0.615144 0.485384 H\n0.591424 0.115144 0.514615 H\n0.663785 0.463551 0.529959 H\n0.336214 0.963551 0.470040 H\n0.419618 0.566294 0.735940 H\n0.620265 0.908001 0.058460 H\n0.320040 0.380222 0.159855 C\n0.825728 0.046123 0.813218 C\n0.174272 0.546123 0.186781 C\n0.501725 0.886147 0.960490 C\n0.498275 0.386147 0.039509 C\n0.679960 0.880222 0.840144 C\n0.805579 0.712265 0.478972 C\n0.829531 0.605410 0.786712 C\n0.601166 0.599629 0.541342 C\n0.398833 0.099629 0.458657 C\n0.581715 0.642238 0.694858 C\n0.418285 0.142238 0.305141 C\n0.170469 0.105410 0.213287 C\n0.194420 0.212265 0.521027 C\n0.458950 0.325187 0.286941 O\n0.120191 0.240670 0.128340 O\n0.879809 0.740670 0.871659 O\n0.037636 0.972172 0.205611 O\n0.962364 0.472172 0.794388 O\n-0.015693 0.252301 0.459139 O\n0.015692 0.752301 0.540860 O\n0.264015 0.262764 0.652348 O\n0.735985 0.762764 0.347651 O\n0.541050 0.825187 0.713058 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5423569401042825,
"density_atomic": 0.11733612851065463,
"volume": 374.99106676256673,
"volume_molar": 5.132384063151668,
"formula_full": "H20 C14 O10",
"formula_reduced": "H10C7O5",
"formula_anonymous": "A5B7C10",
"energy_above_hull": 4.596890795454546,
"spacegroup": 4
},
{
"id": "jvasp-112210",
"created_at": "2022-09-04T14:38:46.693204Z",
"updated_at": "2022-09-04T14:38:46.693238Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.425479 0.387200 -0.000134\n-0.283420 8.118629 -0.000122\n0.000451 -0.000177 10.097223\nSn H C F\n2 24 12 4\ndirect\n0.289723 0.725882 0.537765 Sn\n0.619899 0.580441 0.037782 Sn\n0.763922 0.547308 0.783452 H\n0.441670 0.433728 0.812561 H\n0.747348 0.198962 0.902782 H\n0.069335 0.314729 0.917251 H\n0.162484 0.107328 0.402743 H\n0.145899 0.758970 0.283420 H\n0.468155 0.872543 0.312568 H\n-0.174843 0.958824 0.168238 H\n0.133521 0.084049 0.153502 H\n0.633184 0.235499 0.116093 H\n0.521054 0.190203 0.278694 H\n0.840469 -0.008419 0.417209 H\n0.084695 0.347436 0.668275 H\n0.776330 0.222214 0.653542 H\n0.825671 0.927398 0.723052 H\n0.006922 -0.052005 0.877005 H\n0.470709 0.792490 0.785470 H\n0.084126 0.378889 0.222967 H\n0.148233 0.672279 0.789154 H\n0.902998 0.358262 0.376944 H\n0.761585 0.633979 0.289163 H\n0.439123 0.513763 0.285514 H\n0.276630 0.070749 0.616132 H\n0.388793 0.116061 0.778724 H\n-0.064063 0.061177 0.215922 C\n0.868948 0.297807 0.855144 C\n0.242090 0.850001 0.349359 C\n0.040869 0.008485 0.355104 C\n0.667702 0.456285 0.849383 C\n0.719724 0.213890 0.217797 C\n0.862252 0.368589 0.269551 C\n0.047580 0.937683 0.769605 C\n0.190105 0.092375 0.717840 C\n0.665754 0.525036 0.245445 C\n0.244036 0.781233 0.745443 C\n0.973904 0.245094 0.715965 C\n0.129342 0.592342 0.036608 F\n0.780361 0.714010 0.536600 F\n0.314254 0.484005 0.511921 F\n0.595319 0.822323 0.011958 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.1982936410441822,
"density_atomic": 0.11541968481890205,
"volume": 363.889401239482,
"volume_molar": 5.21760284603876,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036923917380953,
"spacegroup": 4
},
{
"id": "jvasp-112239",
"created_at": "2022-09-04T14:38:46.840021Z",
"updated_at": "2022-09-04T14:38:46.840043Z",
"structure_string": "H20 C16 O6\n1.0\n4.377441 0.000000 -0.504718\n0.000000 6.781809 0.000000\n0.567509 0.000000 11.856863\nH C O\n20 16 6\ndirect\n0.282558 0.006171 0.009545 H\n0.407437 0.669963 0.991595 H\n0.592563 0.169963 0.008404 H\n0.850701 0.873232 0.938980 H\n0.149299 0.373232 0.061019 H\n0.738526 0.626847 0.722768 H\n0.261474 0.126847 0.277231 H\n0.908244 0.215494 0.432894 H\n0.353767 0.044740 0.823025 H\n0.646233 0.544740 0.176975 H\n0.091756 0.715494 0.567105 H\n-0.048725 0.774129 0.371534 H\n0.048725 0.274129 0.628466 H\n0.554912 0.011003 0.127543 H\n0.445088 0.511003 0.872457 H\n0.466419 0.885609 0.388185 H\n0.717442 0.506171 0.990455 H\n0.215108 0.740473 0.214930 H\n0.784892 0.240473 0.785070 H\n0.533582 0.385609 0.611815 H\n0.123488 0.850883 0.615142 C\n0.569219 0.602944 0.936203 C\n0.430781 0.102944 0.063796 C\n0.760205 0.754773 0.884364 C\n0.239795 0.254773 0.115636 C\n0.830420 0.747808 0.775226 C\n0.169580 0.247807 0.224774 C\n0.876512 0.350883 0.384857 C\n0.711605 0.518624 0.421421 C\n0.979324 0.383958 0.279827 C\n0.147345 0.078535 0.768864 C\n0.852655 0.578535 0.231135 C\n0.244891 0.185622 0.662447 C\n0.755109 0.685622 0.337553 C\n0.288395 0.018624 0.578579 C\n0.020676 0.883958 0.720173 C\n0.044887 0.690220 0.163775 O\n0.562039 0.539769 0.506498 O\n0.437961 0.039769 0.493502 O\n0.496847 0.808482 0.317193 O\n0.503153 0.308482 0.682806 O\n0.955114 0.190220 0.836225 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4465519322122946,
"density_atomic": 0.11866523688162951,
"volume": 353.9368487663803,
"volume_molar": 5.074898865290416,
"formula_full": "H20 C16 O6",
"formula_reduced": "H10C8O3",
"formula_anonymous": "A3B8C10",
"energy_above_hull": 4.889247642857143,
"spacegroup": 4
},
{
"id": "jvasp-119267",
"created_at": "2022-09-04T14:38:46.979799Z",
"updated_at": "2022-09-04T14:38:46.979830Z",
"structure_string": "Mn4 O2 F8\n1.0\n2.996890 -0.350087 -0.000513\n-2.235947 5.028391 -0.000126\n0.002410 0.001283 11.711808\nMn O F\n4 2 8\ndirect\n-0.104976 0.118296 0.206812 Mn\n0.212456 0.469006 0.903576 Mn\n0.787578 0.530996 0.403578 Mn\n0.104975 0.881714 0.706818 Mn\n0.407928 0.671589 0.764153 O\n0.592060 0.328404 0.264153 O\n0.042243 0.284651 0.045925 F\n0.043400 0.300377 0.452671 F\n0.177656 0.885042 0.157970 F\n0.575248 0.789562 0.346212 F\n0.424750 0.210419 0.846209 F\n0.822328 0.114952 0.657970 F\n0.957791 0.715362 0.545926 F\n0.956627 0.699620 0.952674 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.0067409984692315,
"density_atomic": 0.08367011379508753,
"volume": 167.3237834274581,
"volume_molar": 7.197481259256485,
"formula_full": "Mn4 O2 F8",
"formula_reduced": "Mn2OF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.350297016108374,
"spacegroup": 4
},
{
"id": "jvasp-112235",
"created_at": "2022-09-04T14:38:47.205937Z",
"updated_at": "2022-09-04T14:38:47.205957Z",
"structure_string": "H24 C16 O4\n1.0\n7.464379 0.000000 -1.456496\n0.000000 6.257319 0.000000\n-0.165071 0.000000 7.528081\nH C O\n24 16 4\ndirect\n0.191939 0.558525 0.066803 H\n0.602519 0.729202 0.662404 H\n0.397481 0.229202 0.337596 H\n0.181782 0.196544 0.534439 H\n0.882640 0.430404 0.529155 H\n0.117360 0.930404 0.470844 H\n0.015364 0.584473 0.409828 H\n0.984636 0.084473 0.590172 H\n0.666403 0.115692 0.646537 H\n0.333598 0.615692 0.353463 H\n0.500255 0.591137 0.907373 H\n0.499745 0.091137 0.092627 H\n0.818218 0.696544 0.465560 H\n0.108689 0.189040 0.919871 H\n0.891312 0.689040 0.080129 H\n0.808061 0.058525 0.933197 H\n-0.001259 0.281371 0.204475 H\n0.174545 0.628800 0.740746 H\n0.001259 0.781371 0.795524 H\n0.371130 0.933324 0.745595 H\n0.628871 0.433324 0.254405 H\n0.304420 0.292514 0.859441 H\n0.695581 0.792514 0.140559 H\n0.825456 0.128800 0.259253 H\n0.876145 0.550315 0.421499 C\n0.754292 0.647059 0.095057 C\n0.123855 0.050315 0.578500 C\n0.616766 0.274800 0.677657 C\n0.383234 0.774800 0.322343 C\n0.645578 0.582941 0.907985 C\n0.354423 0.082941 0.092015 C\n0.245708 0.147059 0.904943 C\n0.149992 0.767844 0.822535 C\n0.233389 0.971673 0.760844 C\n0.850009 0.267844 0.177464 C\n0.784400 0.218879 0.981079 C\n0.215600 0.718879 0.018920 C\n0.690160 0.357758 0.858681 C\n0.309840 0.857758 0.141318 C\n0.766611 0.471673 0.239156 C\n0.312265 0.237502 0.218778 O\n0.499446 0.867905 0.437239 O\n0.500554 0.367905 0.562761 O\n0.687736 0.737502 0.781221 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3297195575890919,
"density_atomic": 0.1256749078737107,
"volume": 350.10966583890485,
"volume_molar": 4.791840202541929,
"formula_full": "H24 C16 O4",
"formula_reduced": "H6C4O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 4.597050318181819,
"spacegroup": 4
},
{
"id": "jvasp-117839",
"created_at": "2022-09-04T14:38:47.531572Z",
"updated_at": "2022-09-04T14:38:47.531598Z",
"structure_string": "P2 Br2\n1.0\n7.644966 -0.271926 -2.916699\n4.320168 -4.637121 -2.009370\n1.930390 -3.292828 -4.178526\nP Br\n2 2\ndirect\n0.668282 0.834594 -0.018549 P\n0.549189 0.454436 0.218073 P\n0.901584 0.052071 0.102869 Br\n0.315786 0.142604 0.190837 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.3758941482802065,
"density_atomic": 0.03667121231907507,
"volume": 109.07738651223542,
"volume_molar": 16.42198438274018,
"formula_full": "P2 Br2",
"formula_reduced": "PBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.8840298025000002,
"spacegroup": 4
},
{
"id": "jvasp-113200",
"created_at": "2022-09-04T14:38:47.451169Z",
"updated_at": "2022-09-04T14:38:47.451177Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n8.348879 0.000000 0.000000\n-0.000000 4.280854 1.976298\n-0.000000 0.308808 7.113990\nLi Fe P O\n2 2 4 14\ndirect\n0.515534 0.680416 0.787522 Li\n0.015534 0.319583 0.212478 Li\n0.157874 0.718193 0.727823 Fe\n0.657875 0.281806 0.272177 Fe\n0.812469 0.563233 0.551408 P\n0.208903 0.936460 0.005825 P\n0.708903 0.063540 0.994175 P\n0.312469 0.436767 0.448592 P\n0.473005 0.311759 0.414928 O\n0.174372 0.204626 0.480291 O\n0.831050 0.438982 0.387311 O\n0.056255 0.773567 0.978139 O\n0.271075 0.760972 0.242330 O\n0.771075 0.239028 0.757670 O\n0.973005 0.688241 0.585073 O\n0.331050 0.561017 0.612689 O\n0.674373 0.795373 0.519709 O\n0.832993 0.109680 0.138462 O\n0.332993 0.890319 0.861538 O\n0.673680 0.729778 0.022754 O\n0.556255 0.226432 0.021861 O\n0.173679 0.270221 -0.022754 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.1553748530694765,
"density_atomic": 0.08829629689031246,
"volume": 249.16107214926424,
"volume_molar": 6.820377492706296,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.774172818181818,
"spacegroup": 4
},
{
"id": "jvasp-117035",
"created_at": "2022-09-04T14:38:47.805552Z",
"updated_at": "2022-09-04T14:38:47.805570Z",
"structure_string": "Ba2 Sr2 Mg2 Si4 O14\n1.0\n8.155322 -0.000000 0.000000\n0.000000 5.298872 0.089848\n-0.000000 -0.006828 8.161398\nBa Sr Mg Si O\n2 2 2 4 14\ndirect\n0.166536 0.487531 0.088912 Ba\n0.666536 0.512468 0.911088 Ba\n0.833375 0.495831 0.416141 Sr\n0.333375 0.504168 0.583860 Sr\n0.500232 0.997891 0.252667 Mg\n0.000232 0.002108 0.747333 Mg\n0.637837 0.054991 0.600492 Si\n0.137837 0.945008 0.399508 Si\n0.361564 0.043472 0.876397 Si\n0.861564 0.956528 0.123604 Si\n0.139428 0.250273 0.405131 O\n0.639428 0.749726 0.594869 O\n0.809534 0.188541 0.661166 O\n0.309534 0.811458 0.338835 O\n0.193348 0.190515 0.818508 O\n0.693348 0.809484 0.181493 O\n0.499533 0.151982 0.739283 O\n0.422601 0.164866 0.050398 O\n0.077996 0.793609 0.566730 O\n0.577995 0.206390 0.433271 O\n0.358015 0.738374 0.871835 O\n0.999532 0.848017 0.260718 O\n0.922601 0.835133 0.949603 O\n0.858015 0.261625 0.128165 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si-Sr",
"density": 3.930572745224369,
"density_atomic": 0.0680480965802425,
"volume": 352.6917166845238,
"volume_molar": 8.849829844834344,
"formula_full": "Ba2 Sr2 Mg2 Si4 O14",
"formula_reduced": "BaSrMgSi2O7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 1.9177410858333332,
"spacegroup": 4
}
]
}