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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=74",
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"results": [
{
"id": "jvasp-119415",
"created_at": "2022-09-04T14:38:32.818350Z",
"updated_at": "2022-09-04T14:38:32.818369Z",
"structure_string": "Tb8 Te12\n1.0\n13.541546 -0.037156 5.029470\n11.694934 6.831182 2.514378\n-0.002252 0.008376 7.543848\nTb Te\n8 12\ndirect\n0.332874 0.332873 0.167127 Tb\n0.167127 0.167127 0.332873 Tb\n0.917127 0.917126 0.082873 Tb\n0.082873 0.082874 0.917127 Tb\n0.999836 0.999835 0.500165 Tb\n0.500165 0.500165 0.999836 Tb\n0.250164 0.250165 0.749836 Tb\n0.749836 0.749835 0.250165 Tb\n0.418222 0.914917 0.584474 Te\n0.584474 0.082387 0.418222 Te\n0.167613 0.665526 0.335083 Te\n0.335083 0.831778 0.167613 Te\n0.831779 0.335083 0.665526 Te\n0.503947 0.996053 0.996053 Te\n0.746053 0.253947 0.253947 Te\n0.253947 0.746053 0.746053 Te\n0.914918 0.418221 0.082387 Te\n0.996054 0.503947 0.503947 Te\n0.665526 0.167613 0.831778 Te\n0.082387 0.584474 0.914917 Te\n",
"nsites": 20,
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"elements": [
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"density": 6.635012901706559,
"density_atomic": 0.02851419519904942,
"volume": 701.4050321387554,
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"formula_full": "Tb8 Te12",
"formula_reduced": "Tb2Te3",
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"spacegroup": 70
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{
"id": "jvasp-20342",
"created_at": "2022-09-04T14:37:43.529012Z",
"updated_at": "2022-09-04T14:37:43.529034Z",
"structure_string": "Ho12 S18\n1.0\n0.000000 10.131281 0.002138\n3.989965 0.000000 0.000000\n0.000000 -2.631711 -17.347403\nHo S\n12 18\ndirect\n0.549317 0.750001 0.115016 Ho\n0.811057 0.250000 0.979347 Ho\n0.188942 0.750001 0.020652 Ho\n0.124334 0.750001 0.430139 Ho\n0.170045 0.250000 0.218829 Ho\n0.829955 0.750001 0.781171 Ho\n0.875666 0.250000 0.569860 Ho\n0.187869 0.750001 0.720671 Ho\n0.513822 0.250000 0.601463 Ho\n0.486178 0.750001 0.398537 Ho\n0.450683 0.250000 0.884984 Ho\n0.812131 0.250000 0.279328 Ho\n0.993400 0.250000 0.732331 S\n0.267131 0.750001 0.873263 S\n0.732869 0.250000 0.126737 S\n0.053279 0.750001 0.575293 S\n0.946721 0.250000 0.424706 S\n0.363383 0.250000 0.718343 S\n0.636617 0.750001 0.281657 S\n0.006600 0.750001 0.267669 S\n0.320167 0.750001 0.182656 S\n0.711015 0.750001 0.630802 S\n0.047846 0.250000 0.076247 S\n0.952154 0.750001 0.923753 S\n0.679833 0.250000 0.817343 S\n0.384979 0.250000 0.033137 S\n0.632955 0.250000 0.468159 S\n0.367045 0.750001 0.531840 S\n0.288985 0.250000 0.369198 S\n0.615021 0.750001 0.966863 S\n",
"nsites": 30,
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"elements": [
"Ho",
"S"
],
"chemical_system": "Ho-S",
"density": 6.053585150794258,
"density_atomic": 0.04278260686013581,
"volume": 701.2195422797752,
"volume_molar": 14.07614262423859,
"formula_full": "Ho12 S18",
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"formula_anonymous": "A2B3",
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"spacegroup": 11
},
{
"id": "jvasp-59031",
"created_at": "2022-09-04T14:37:55.212770Z",
"updated_at": "2022-09-04T14:37:55.212784Z",
"structure_string": "K8 Mn2 Br12\n1.0\n8.883085 0.029062 0.029152\n0.029150 8.883085 0.029152\n0.029062 0.029062 8.883086\nK Mn Br\n8 2 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.629463 0.870538 0.250000 K\n0.250000 0.629463 0.870537 K\n0.870538 0.250000 0.629463 K\n0.370537 0.129463 0.750000 K\n0.750000 0.370537 0.129463 K\n0.129463 0.750000 0.370537 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.442787 0.792637 0.568351 Br\n0.057213 0.931649 0.707363 Br\n0.931649 0.707363 0.057213 Br\n0.707363 0.057213 0.931649 Br\n0.207363 0.431649 0.557214 Br\n0.292637 0.942787 0.068351 Br\n0.557214 0.207363 0.431649 Br\n0.942787 0.068351 0.292637 Br\n0.068351 0.292637 0.942787 Br\n0.568351 0.442786 0.792637 Br\n0.431649 0.557214 0.207363 Br\n0.792637 0.568351 0.442786 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mn",
"Br"
],
"chemical_system": "Br-K-Mn",
"density": 3.272847277005588,
"density_atomic": 0.03138666242688279,
"volume": 700.9346741231371,
"volume_molar": 19.18694214151937,
"formula_full": "K8 Mn2 Br12",
"formula_reduced": "K4MnBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-55108",
"created_at": "2022-09-04T14:38:36.044017Z",
"updated_at": "2022-09-04T14:38:36.044031Z",
"structure_string": "Tl2 In10 Se14\n1.0\n0.000000 9.591629 -0.008749\n4.124665 0.000000 0.000000\n0.000000 -3.432614 -17.709581\nTl In Se\n2 10 14\ndirect\n0.022629 0.749999 0.727802 Tl\n0.977372 0.250000 0.272198 Tl\n0.852215 0.749999 0.047084 In\n0.483420 0.749999 0.397256 In\n0.566792 0.250000 0.123303 In\n0.147786 0.250000 0.952916 In\n0.516580 0.250000 0.602744 In\n0.679731 0.749999 0.813173 In\n0.171034 0.749999 0.533920 In\n0.320270 0.250000 0.186827 In\n0.828967 0.250000 0.466080 In\n0.433209 0.749999 0.876697 In\n0.257538 0.250000 0.821411 Se\n0.056317 0.250000 0.091699 Se\n0.029449 0.250000 0.591640 Se\n0.378742 0.749999 0.657487 Se\n0.738885 0.250000 0.727114 Se\n0.336604 0.749999 0.006845 Se\n0.261115 0.749999 0.272886 Se\n0.329544 0.250000 0.466413 Se\n0.663396 0.250000 0.993156 Se\n0.670457 0.749999 0.533587 Se\n0.621259 0.250000 0.342513 Se\n0.970551 0.749999 0.408360 Se\n0.943683 0.749999 0.908301 Se\n0.742462 0.749999 0.178589 Se\n",
"nsites": 26,
"nelements": 3,
"elements": [
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"In",
"Se"
],
"chemical_system": "In-Se-Tl",
"density": 6.308906629590986,
"density_atomic": 0.037102846680261106,
"volume": 700.7548564685234,
"volume_molar": 16.23093993810402,
"formula_full": "Tl2 In10 Se14",
"formula_reduced": "TlIn5Se7",
"formula_anonymous": "AB5C7",
"energy_above_hull": 0.5876504628205128,
"spacegroup": 11
},
{
"id": "jvasp-20439",
"created_at": "2022-09-04T14:38:35.095344Z",
"updated_at": "2022-09-04T14:38:35.095368Z",
"structure_string": "Er5 Mg24\n1.0\n9.136328 0.000000 -3.230180\n-4.568164 7.912293 -3.230180\n-0.000000 0.000000 9.690539\nEr Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Er\n0.372527 -0.000000 0.000000 Er\n0.000000 0.372527 -0.000000 Er\n0.000000 0.000000 0.372527 Er\n0.627473 0.627473 0.627473 Er\n0.809275 -0.000000 0.628913 Mg\n0.190726 0.819639 0.190726 Mg\n0.819639 0.190726 0.190726 Mg\n0.000000 0.809274 0.628913 Mg\n0.809275 0.628913 0.000000 Mg\n0.628914 0.809274 0.000000 Mg\n0.371087 0.371087 0.180361 Mg\n0.677478 0.677477 0.288550 Mg\n0.388928 0.711450 0.388927 Mg\n0.190726 0.190726 0.819639 Mg\n0.611073 -0.000000 0.322523 Mg\n0.322523 -0.000000 0.611073 Mg\n0.677477 0.288550 0.677477 Mg\n0.288550 0.677477 0.677477 Mg\n0.000000 0.322523 0.611073 Mg\n0.322523 0.611073 -0.000000 Mg\n0.611073 0.322523 0.000000 Mg\n0.388927 0.388927 0.711450 Mg\n0.628913 -0.000000 0.809274 Mg\n0.000000 0.628913 0.809274 Mg\n0.180361 0.371087 0.371087 Mg\n0.371087 0.180361 0.371087 Mg\n0.000000 0.611073 0.322523 Mg\n0.711450 0.388927 0.388927 Mg\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Er",
"Mg"
],
"chemical_system": "Er-Mg",
"density": 3.365097867896682,
"density_atomic": 0.04139768163346639,
"volume": 700.5223204711069,
"volume_molar": 14.547048342754604,
"formula_full": "Er5 Mg24",
"formula_reduced": "Er5Mg24",
"formula_anonymous": "A5B24",
"energy_above_hull": 0.0,
"spacegroup": 217
},
{
"id": "jvasp-91342",
"created_at": "2022-09-04T14:36:01.278543Z",
"updated_at": "2022-09-04T14:36:01.278569Z",
"structure_string": "Mo12 S6 Br12\n1.0\n6.658047 0.000000 0.000000\n-3.329023 8.732291 -0.000000\n0.000000 0.000000 12.046394\nMo S Br\n12 6 12\ndirect\n0.008617 0.847586 0.101367 Mo\n0.991384 0.152414 0.601367 Mo\n0.838971 0.847586 0.898632 Mo\n0.991384 0.152414 0.898632 Mo\n0.838971 0.847586 0.601367 Mo\n0.008617 0.847586 0.398633 Mo\n0.161030 0.152414 0.101367 Mo\n0.255660 0.000000 0.938753 Mo\n0.255660 0.000000 0.561246 Mo\n0.744340 0.000000 0.438754 Mo\n0.744340 0.000000 0.061246 Mo\n0.161030 0.152414 0.398633 Mo\n0.383460 0.000000 0.371211 S\n0.383460 0.000000 0.128788 S\n0.616541 0.000000 0.871211 S\n0.616541 0.000000 0.628788 S\n0.910710 0.000000 0.250000 S\n0.089290 0.000000 0.750000 S\n0.407276 0.302589 0.564739 Br\n0.614108 0.638304 0.750000 Br\n0.104686 0.697411 0.935260 Br\n0.975802 0.361696 0.750000 Br\n0.024199 0.638304 0.250000 Br\n0.407276 0.302589 0.935260 Br\n0.592725 0.697411 0.435260 Br\n0.895315 0.302589 0.064739 Br\n0.592725 0.697411 0.064739 Br\n0.104686 0.697411 0.564739 Br\n0.385893 0.361696 0.250000 Br\n0.895315 0.302589 0.435260 Br\n",
"nsites": 30,
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"elements": [
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"S",
"Br"
],
"chemical_system": "Br-Mo-S",
"density": 5.4590869477215085,
"density_atomic": 0.04283404954699861,
"volume": 700.37739408886,
"volume_molar": 14.059237507750359,
"formula_full": "Mo12 S6 Br12",
"formula_reduced": "Mo2SBr2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.771948002,
"spacegroup": 63
},
{
"id": "jvasp-27540",
"created_at": "2022-09-04T14:38:08.039964Z",
"updated_at": "2022-09-04T14:38:08.039992Z",
"structure_string": "Na12 As4 Se12\n1.0\n8.877043 0.000000 -0.000000\n0.000000 8.877043 -0.000000\n0.000000 -0.000000 8.877043\nNa As Se\n12 4 12\ndirect\n0.823205 0.176794 0.676794 Na\n0.676794 0.823205 0.176794 Na\n0.176794 0.676794 0.823205 Na\n0.323206 0.323206 0.323206 Na\n0.186286 0.313714 0.686286 Na\n0.313714 0.686286 0.186286 Na\n0.686286 0.186286 0.313714 Na\n0.813714 0.813714 0.813714 Na\n0.417124 0.082876 0.917124 Na\n0.082876 0.917124 0.417124 Na\n0.917124 0.417124 0.082876 Na\n0.582876 0.582876 0.582876 Na\n0.530523 0.469476 0.969476 As\n0.969476 0.530523 0.469476 As\n0.469476 0.969476 0.530523 As\n0.030523 0.030523 0.030523 As\n0.269379 0.387280 0.000946 Se\n0.769379 0.112720 -0.000946 Se\n0.730620 0.887280 0.499054 Se\n0.112720 -0.000946 0.769379 Se\n0.499054 0.730620 0.887280 Se\n-0.000946 0.769379 0.112720 Se\n0.387280 0.000946 0.269379 Se\n0.000946 0.269379 0.387280 Se\n0.887280 0.499054 0.730620 Se\n0.612720 0.500946 0.230621 Se\n0.500946 0.230621 0.612720 Se\n0.230621 0.612720 0.500946 Se\n",
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"elements": [
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"density": 3.6154959340646142,
"density_atomic": 0.040027001784949064,
"volume": 699.527787527882,
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"formula_full": "Na12 As4 Se12",
"formula_reduced": "Na3AsSe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 198
},
{
"id": "jvasp-45328",
"created_at": "2022-09-04T14:37:02.298531Z",
"updated_at": "2022-09-04T14:37:02.298546Z",
"structure_string": "Na12 As4 Se12\n1.0\n8.876808 0.000000 -0.000000\n-0.000000 8.876808 -0.000000\n0.000000 0.000000 8.876808\nNa As Se\n12 4 12\ndirect\n0.823173 0.176828 0.676828 Na\n0.676828 0.823173 0.176828 Na\n0.176828 0.676828 0.823173 Na\n0.323173 0.323173 0.323173 Na\n0.186280 0.313720 0.686280 Na\n0.313720 0.686280 0.186280 Na\n0.686280 0.186280 0.313720 Na\n0.813721 0.813721 0.813721 Na\n0.417143 0.082858 0.917143 Na\n0.082858 0.917143 0.417143 Na\n0.917143 0.417143 0.082858 Na\n0.582858 0.582858 0.582858 Na\n0.530537 0.469463 0.969463 As\n0.969463 0.530537 0.469463 As\n0.469463 0.969463 0.530537 As\n0.030537 0.030537 0.030537 As\n0.269401 0.387273 0.000930 Se\n0.769401 0.112727 -0.000930 Se\n0.730599 0.887274 0.499071 Se\n0.112727 -0.000930 0.769401 Se\n0.499071 0.730599 0.887274 Se\n-0.000930 0.769401 0.112727 Se\n0.387273 0.000930 0.269401 Se\n0.000930 0.269401 0.387273 Se\n0.887274 0.499071 0.730599 Se\n0.612727 0.500930 0.230599 Se\n0.500930 0.230599 0.612727 Se\n0.230599 0.612727 0.500930 Se\n",
"nsites": 28,
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"volume": 699.4722336644143,
"volume_molar": 15.044000888709691,
"formula_full": "Na12 As4 Se12",
"formula_reduced": "Na3AsSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5898726928571429,
"spacegroup": 198
},
{
"id": "jvasp-91466",
"created_at": "2022-09-04T14:35:40.864678Z",
"updated_at": "2022-09-04T14:35:40.864696Z",
"structure_string": "Ca12 Mg4 Si8 O32\n1.0\n5.251207 0.000000 0.000000\n0.000000 9.809759 -0.851918\n0.000000 -0.718858 13.625787\nCa Mg Si O\n12 4 8 32\ndirect\n0.258416 0.068840 0.407284 Ca\n0.748156 0.263258 0.022330 Ca\n0.248156 0.736742 0.477670 Ca\n0.729331 0.521370 0.376459 Ca\n0.241585 0.068840 0.907284 Ca\n0.758416 0.931160 0.092716 Ca\n0.741585 0.931160 0.592716 Ca\n0.770670 0.521370 0.876459 Ca\n0.229330 0.478630 0.123541 Ca\n0.270670 0.478630 0.623541 Ca\n0.251845 0.736742 0.977670 Ca\n0.751845 0.263258 0.522331 Ca\n0.739500 0.162019 0.788009 Mg\n0.760501 0.162019 0.288009 Mg\n0.260501 0.837981 0.211991 Mg\n0.239499 0.837981 0.711991 Mg\n0.232325 0.371967 0.861012 Si\n0.283880 0.112384 0.136873 Si\n0.267675 0.371967 0.361012 Si\n0.767676 0.628033 0.138988 Si\n0.216120 0.112384 0.636873 Si\n0.716120 0.887615 0.863127 Si\n0.732325 0.628033 0.638988 Si\n0.783881 0.887615 0.363127 Si\n0.515548 0.744525 0.618455 O\n0.264797 0.506424 0.448613 O\n0.605931 0.929412 0.271734 O\n0.394069 0.070588 0.728266 O\n0.088945 0.850538 0.342758 O\n0.411055 0.850538 0.842758 O\n0.764797 0.493576 0.051387 O\n0.786738 0.038563 0.438243 O\n0.015910 0.698368 0.633025 O\n0.668109 0.771448 0.426101 O\n0.121543 0.429306 0.763833 O\n0.984453 0.744525 0.118455 O\n0.894069 0.929411 0.771734 O\n0.878457 0.570694 0.236168 O\n0.286737 0.961437 0.061757 O\n0.621544 0.570694 0.736168 O\n0.911056 0.149462 0.657242 O\n0.713263 0.038563 0.938243 O\n0.105931 0.070588 0.228266 O\n0.168110 0.228552 0.073899 O\n0.235203 0.506424 0.948613 O\n0.015548 0.255475 0.881545 O\n0.515911 0.301632 0.866976 O\n0.213263 0.961437 0.561757 O\n0.484453 0.255475 0.381545 O\n0.378457 0.429306 0.263833 O\n0.735204 0.493576 0.551387 O\n0.831892 0.771448 0.926101 O\n0.588945 0.149462 0.157242 O\n0.984090 0.301632 0.366975 O\n0.484090 0.698368 0.133025 O\n0.331891 0.228552 0.573899 O\n",
"nsites": 56,
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"elements": [
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"O"
],
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"density": 3.1248627315245696,
"density_atomic": 0.08014995967204408,
"volume": 698.6903078821202,
"volume_molar": 7.513591753060475,
"formula_full": "Ca12 Mg4 Si8 O32",
"formula_reduced": "Ca3Mg(SiO4)2",
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"spacegroup": 14
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{
"id": "jvasp-98799",
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