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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4402",
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"results": [
{
"id": "jvasp-111962",
"created_at": "2022-09-04T14:38:41.535871Z",
"updated_at": "2022-09-04T14:38:41.535889Z",
"structure_string": "Li3 Mn2 Co2 O8\n1.0\n2.838060 0.018268 -0.032808\n-0.031932 4.878586 -0.069299\n0.105763 0.048409 9.618496\nLi Mn Co O\n3 2 2 8\ndirect\n0.616227 0.798058 0.240594 Li\n0.117964 0.949510 0.742970 Li\n0.116416 0.293979 0.240348 Li\n0.616065 0.457113 0.991030 Mn\n0.117412 0.302165 0.503498 Mn\n0.617399 0.798959 0.495130 Co\n0.116056 0.958181 0.001813 Co\n0.116253 0.621520 0.109504 O\n0.617593 0.126107 0.606195 O\n0.617175 0.460154 0.386275 O\n0.615903 0.794159 0.894777 O\n0.616235 0.131081 0.110460 O\n0.117566 0.640861 0.598707 O\n0.117172 0.970038 0.385847 O\n0.115925 0.280967 0.893354 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.694151423561262,
"density_atomic": 0.11260671439942727,
"volume": 133.20697686634833,
"volume_molar": 5.347941099354755,
"formula_full": "Li3 Mn2 Co2 O8",
"formula_reduced": "Li3Mn2(CoO4)2",
"formula_anonymous": "A2B2C3D8",
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"spacegroup": 6
},
{
"id": "jvasp-112574",
"created_at": "2022-09-04T14:38:41.547522Z",
"updated_at": "2022-09-04T14:38:41.547574Z",
"structure_string": "Sm4 Be4 Si2 O14\n1.0\n7.428340 -0.000000 0.000000\n0.000000 7.428340 0.000000\n-0.000000 -0.000000 4.841892\nSm Be Si O\n4 4 2 14\ndirect\n0.159829 0.340171 0.506047 Sm\n0.840171 0.659829 0.506047 Sm\n0.659829 0.159829 0.493952 Sm\n0.340171 0.840171 0.493952 Sm\n0.635931 0.864069 0.961951 Be\n0.364069 0.135931 0.961951 Be\n0.135931 0.635931 0.038049 Be\n0.864069 0.364069 0.038049 Be\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 -0.000000 Si\n0.578257 0.664061 0.805024 O\n0.835939 0.921743 0.805024 O\n0.421743 0.335939 0.805024 O\n0.164061 0.078257 0.805024 O\n0.921743 0.164061 0.194976 O\n0.078257 0.835939 0.194976 O\n0.500000 0.000000 0.826567 O\n0.141135 0.641135 0.710781 O\n0.358865 0.141135 0.289218 O\n0.641135 0.858865 0.289218 O\n0.335939 0.578257 0.194976 O\n-0.000000 0.500000 0.173433 O\n0.858865 0.358865 0.710781 O\n0.664061 0.421743 0.194976 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"Be",
"Si",
"O"
],
"chemical_system": "Be-O-Si-Sm",
"density": 5.703325388517974,
"density_atomic": 0.0898281791881796,
"volume": 267.1767391580184,
"volume_molar": 6.70406637919746,
"formula_full": "Sm4 Be4 Si2 O14",
"formula_reduced": "Sm2Be2SiO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.434766920833333,
"spacegroup": 113
},
{
"id": "jvasp-112908",
"created_at": "2022-09-04T14:38:45.474383Z",
"updated_at": "2022-09-04T14:38:45.474419Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n4.875449 0.021432 0.928994\n4.046718 2.719290 0.928994\n-0.161598 -0.049640 9.873243\nLi Mn Co O\n5 1 2 8\ndirect\n0.762397 0.762395 0.859642 Li\n0.246525 0.246525 0.630730 Li\n0.749135 0.749134 0.379805 Li\n0.249567 0.249567 0.129134 Li\n0.497041 0.497040 0.742213 Li\n0.004581 0.004581 0.988276 Mn\n-0.002288 -0.002288 0.506005 Co\n0.499065 0.499063 0.252057 Co\n0.120772 0.120772 0.830395 O\n0.611017 0.611016 0.554170 O\n0.107708 0.107708 0.315413 O\n0.606389 0.606387 0.068753 O\n0.385494 0.385493 0.949161 O\n0.879316 0.879314 0.673955 O\n0.391292 0.391291 0.433938 O\n0.891997 0.891995 0.186343 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.269630729398897,
"density_atomic": 0.12262038528104273,
"volume": 130.4840134316037,
"volume_molar": 4.9112068488428005,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.502780440086207,
"spacegroup": 8
},
{
"id": "jvasp-60090",
"created_at": "2022-09-04T14:38:36.628018Z",
"updated_at": "2022-09-04T14:38:36.628029Z",
"structure_string": "Zn12 Si12 Sb8 O48\n1.0\n10.074197 -0.000000 -3.561767\n-5.037098 8.724511 -3.561767\n0.000000 0.000000 10.685299\nZn Si Sb O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Zn\n0.250000 0.375000 0.125000 Zn\n0.625000 0.875000 0.750000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.250000 0.875000 0.625000 Zn\n0.875000 0.750000 0.625000 Zn\n0.125000 0.375000 0.750000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.250000 0.375000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.250000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.124999 Si\n0.125000 0.750000 0.875000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.250000 0.125000 0.875000 Si\n0.875000 0.125000 0.750000 Si\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n-0.000000 0.500000 0.500000 Sb\n-0.000000 -0.000000 0.500000 Sb\n-0.000000 0.500000 -0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.975667 0.705175 0.105999 O\n0.869667 0.394000 0.099175 O\n0.770493 0.400825 0.794825 O\n0.770493 0.869667 0.975666 O\n0.400825 0.794825 0.770493 O\n0.394000 0.794825 0.524333 O\n0.794825 0.770493 0.400825 O\n0.729507 0.705175 0.099175 O\n0.705175 0.106000 0.975667 O\n0.630333 0.729507 0.524333 O\n0.099175 0.869667 0.394000 O\n0.729507 0.524333 0.630333 O\n0.394000 0.099175 0.869667 O\n0.106000 0.975667 0.705175 O\n0.630333 0.400825 0.106000 O\n0.524333 0.394000 0.794825 O\n0.869667 0.975667 0.770492 O\n0.400825 0.106000 0.630333 O\n0.794825 0.524333 0.394000 O\n0.975667 0.770493 0.869666 O\n0.099175 0.729507 0.705175 O\n0.524333 0.630333 0.729507 O\n0.270493 0.294825 0.900825 O\n0.205175 0.229507 0.599175 O\n0.369667 0.270493 0.475667 O\n0.270493 0.475667 0.369667 O\n0.024333 0.294825 0.894000 O\n0.130333 0.606000 0.900825 O\n0.229507 0.599175 0.205175 O\n0.229507 0.130333 0.024333 O\n0.599175 0.205175 0.229507 O\n0.606000 0.205175 0.475667 O\n0.705175 0.099175 0.729507 O\n0.894000 0.369667 0.599175 O\n0.294825 0.900825 0.270493 O\n0.900825 0.270493 0.294825 O\n0.024333 0.229507 0.130333 O\n0.205175 0.475667 0.606000 O\n0.599175 0.894000 0.369666 O\n0.130333 0.024333 0.229507 O\n0.475667 0.606000 0.205175 O\n0.369667 0.599175 0.894000 O\n0.894000 0.024333 0.294825 O\n0.606000 0.900825 0.130333 O\n0.106000 0.630333 0.400825 O\n0.900825 0.130333 0.606000 O\n0.294825 0.894000 0.024333 O\n0.475667 0.369667 0.270493 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sb",
"O"
],
"chemical_system": "O-Sb-Si-Zn",
"density": 5.06385957503001,
"density_atomic": 0.08518277304014844,
"volume": 939.1570284087172,
"volume_molar": 7.069669776025767,
"formula_full": "Zn12 Si12 Sb8 O48",
"formula_reduced": "Zn3Si3(SbO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.23272106,
"spacegroup": 230
},
{
"id": "jvasp-112384",
"created_at": "2022-09-04T14:38:40.712731Z",
"updated_at": "2022-09-04T14:38:40.712759Z",
"structure_string": "Al1 In3 Cu4 Se8\n1.0\n5.587022 0.000234 1.553120\n2.579133 6.446578 1.547392\n-0.007084 0.034854 10.859953\nAl In Cu Se\n1 3 4 8\ndirect\n0.247302 0.375830 0.124638 Al\n0.252531 0.874192 0.625431 In\n0.500978 0.249735 0.754790 In\n0.498695 0.750545 0.245020 In\n0.748997 0.616678 0.880869 Cu\n0.751637 0.133132 0.368882 Cu\n0.993254 0.001651 0.005518 Cu\n0.006392 0.498133 0.494592 Cu\n0.359896 0.682941 0.050521 Se\n0.381083 0.204187 0.547542 Se\n0.897171 0.424252 0.312914 Se\n0.876636 0.916995 0.831644 Se\n0.103522 0.311485 0.952152 Se\n0.092778 0.815875 0.435102 Se\n0.665783 0.559924 0.686189 Se\n0.623348 0.084437 0.184194 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-In-Se",
"density": 5.338980992156057,
"density_atomic": 0.04091574880765878,
"volume": 391.0474686706712,
"volume_molar": 14.718393126102953,
"formula_full": "Al1 In3 Cu4 Se8",
"formula_reduced": "AlIn3(CuSe2)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 0.7214482152083332,
"spacegroup": 1
},
{
"id": "jvasp-111698",
"created_at": "2022-09-04T14:38:40.717262Z",
"updated_at": "2022-09-04T14:38:40.717284Z",
"structure_string": "Sm6 Mn2 Ga2 S14\n1.0\n9.815257 -0.000000 -0.000000\n-4.907628 8.500262 0.000000\n0.000000 0.000000 6.198248\nSm Mn Ga S\n6 2 2 14\ndirect\n0.777019 0.155014 0.236222 Sm\n0.377996 0.222981 0.236222 Sm\n0.844986 0.622004 0.236222 Sm\n0.222981 0.844985 0.736222 Sm\n0.622004 0.777019 0.736222 Sm\n0.155014 0.377995 0.736222 Sm\n0.000000 0.000000 0.036001 Mn\n0.000000 0.000000 0.536001 Mn\n0.666667 0.333333 0.659651 Ga\n0.333333 0.666667 0.159650 Ga\n0.432004 0.521158 0.006254 S\n0.478842 0.910846 0.006254 S\n0.089153 0.567996 0.006254 S\n0.567996 0.478842 0.506255 S\n0.521158 0.089153 0.506255 S\n0.910847 0.432004 0.506255 S\n0.242420 0.139324 0.813090 S\n0.757580 0.860676 0.313089 S\n0.139323 0.896903 0.313089 S\n0.896904 0.757580 0.813090 S\n0.666667 0.333333 0.024655 S\n0.860677 0.103096 0.813090 S\n0.103096 0.242420 0.313089 S\n0.333333 0.666667 0.524655 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Ga",
"S"
],
"chemical_system": "Ga-Mn-S-Sm",
"density": 5.1389282867519,
"density_atomic": 0.04640965128848194,
"volume": 517.1338144907884,
"volume_molar": 12.976052594246898,
"formula_full": "Sm6 Mn2 Ga2 S14",
"formula_reduced": "Sm3MnGaS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.061980515948276,
"spacegroup": 173
},
{
"id": "jvasp-116836",
"created_at": "2022-09-04T14:38:45.621155Z",
"updated_at": "2022-09-04T14:38:45.621184Z",
"structure_string": "Li2 Fe5 O5 F7\n1.0\n5.682960 -0.011106 -1.053254\n-1.154814 5.623807 -1.018802\n-0.035843 -0.037564 6.193701\nLi Fe O F\n2 5 5 7\ndirect\n0.867251 0.676251 0.403532 Li\n0.323330 0.607275 0.137529 Li\n0.657734 0.384910 0.840990 Fe\n0.137698 0.328429 0.579344 Fe\n0.621300 0.149230 0.347359 Fe\n0.985489 0.010259 0.013799 Fe\n0.400603 0.860963 0.675260 Fe\n0.838871 0.403959 0.608064 O\n0.402941 0.579815 0.776186 O\n0.957891 0.125566 0.315514 O\n0.391064 0.157449 0.575095 O\n0.667227 0.043560 0.882248 O\n0.118831 0.316474 0.959092 F\n0.182108 0.616211 0.398826 F\n0.580287 0.403310 0.177272 F\n0.059848 0.885273 0.712143 F\n0.613905 0.825983 0.430203 F\n0.873222 0.678053 0.042417 F\n0.320411 0.947034 0.125141 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.257396655329475,
"density_atomic": 0.09625392324665814,
"volume": 197.39455140245065,
"volume_molar": 6.256514598961123,
"formula_full": "Li2 Fe5 O5 F7",
"formula_reduced": "Li2Fe5O5F7",
"formula_anonymous": "A2B5C5D7",
"energy_above_hull": 1.8582829988157896,
"spacegroup": 1
},
{
"id": "jvasp-111675",
"created_at": "2022-09-04T14:38:40.722473Z",
"updated_at": "2022-09-04T14:38:40.722499Z",
"structure_string": "In2 As2 H4 O10\n1.0\n5.505528 0.000641 -0.435932\n-1.769789 5.411117 -0.848389\n-0.011651 -0.054934 6.749738\nIn As H O\n2 2 4 10\ndirect\n0.631012 0.725988 0.221474 In\n0.368989 0.274013 0.778526 In\n0.738017 0.879649 0.742824 As\n0.261984 0.120352 0.257176 As\n0.891555 0.362302 0.271964 H\n0.108446 0.637699 0.728037 H\n0.071462 0.615673 0.210947 H\n0.928539 0.384328 0.789054 H\n0.940907 0.071456 0.270021 O\n0.059093 0.928545 0.729980 O\n0.458409 0.240490 0.479223 O\n0.541592 0.759511 0.520778 O\n0.651525 0.651881 0.891718 O\n0.691367 0.147829 0.859599 O\n0.348476 0.348120 0.108283 O\n0.917985 0.542631 0.276367 O\n0.308634 0.852172 0.140402 O\n0.082015 0.457370 0.723634 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"In",
"As",
"H",
"O"
],
"chemical_system": "As-H-In-O",
"density": 4.495405345355747,
"density_atomic": 0.08965793944220783,
"volume": 200.76303461783806,
"volume_molar": 6.716795854852076,
"formula_full": "In2 As2 H4 O10",
"formula_reduced": "InAsH2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.3541821355555554,
"spacegroup": 2
},
{
"id": "jvasp-112125",
"created_at": "2022-09-04T14:38:41.706789Z",
"updated_at": "2022-09-04T14:38:41.706806Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290578 0.114077 0.391140\n1.446163 7.646215 1.750649\n0.032281 0.035410 10.787550\nH Pb C O\n16 2 12 8\ndirect\n0.321520 0.834320 0.316276 H\n0.872302 0.124590 0.698588 H\n0.873023 0.625132 0.698322 H\n0.782904 0.357293 0.658893 H\n0.781968 0.857813 0.658889 H\n0.298057 0.855420 0.548529 H\n0.370029 0.124008 0.592088 H\n0.370500 0.623768 0.592178 H\n0.298382 0.355656 0.548507 H\n0.824043 0.835747 0.422403 H\n0.896201 0.103860 0.466085 H\n0.896548 0.604095 0.466063 H\n0.411679 0.102180 0.355720 H\n0.412657 0.601641 0.355723 H\n0.322244 0.334883 0.316003 H\n0.824506 0.335508 0.422495 H\n0.098076 0.479679 0.007217 Pb\n0.096540 0.979824 0.007386 Pb\n0.676387 0.240344 0.680367 C\n0.468849 0.248215 0.801056 C\n0.469345 0.747647 0.801203 C\n0.489065 0.236419 0.567173 C\n0.489093 0.736346 0.567194 C\n0.676406 0.740533 0.680322 C\n0.725229 0.711833 0.213396 C\n0.705484 0.723156 0.447397 C\n0.518173 0.219137 0.334231 C\n0.518173 0.718938 0.334277 C\n0.725717 0.211252 0.213546 C\n0.705496 0.223087 0.447418 C\n0.555909 0.632964 0.903793 O\n0.981644 0.595866 0.215282 O\n0.981318 0.094639 0.215810 O\n0.638657 0.826504 0.110803 O\n0.640342 0.325777 0.110761 O\n0.212951 0.863628 0.799321 O\n0.213243 0.364823 0.798806 O\n0.554245 0.133678 0.903833 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
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"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.316710041730934,
"density_atomic": 0.10801959848152166,
"volume": 351.7880137880762,
"volume_molar": 5.575044570296358,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394882885263158,
"spacegroup": 2
},
{
"id": "jvasp-112129",
"created_at": "2022-09-04T14:38:45.159924Z",
"updated_at": "2022-09-04T14:38:45.159942Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.602189 0.115475 -0.437349\n-1.973714 4.343801 -0.351658\n-0.374472 -0.049715 11.741427\nZn H C O\n1 14 9 4\ndirect\n0.476182 0.267920 0.829069 Zn\n0.573153 0.694569 0.452172 H\n0.589462 0.438110 0.114674 H\n0.289033 0.454943 0.190996 H\n0.103275 0.929328 0.382993 H\n0.010403 0.585921 0.294008 H\n0.496121 0.351241 0.365411 H\n0.011864 0.345313 0.476286 H\n0.559742 0.844691 0.002447 H\n0.273834 0.896448 0.080368 H\n0.917918 -0.006827 0.188751 H\n0.630093 -0.008671 0.274484 H\n0.237219 0.912860 0.560974 H\n0.937519 0.825182 0.645199 H\n0.699726 0.284681 0.556587 H\n0.100010 0.494036 0.960689 C\n0.362001 0.728242 0.048441 C\n0.486679 0.592440 0.148752 C\n0.738556 0.845993 0.236269 C\n0.868242 0.455429 0.512749 C\n0.688579 0.554302 0.414973 C\n0.080547 0.725476 0.602222 C\n0.291324 0.657690 0.695940 C\n0.904149 0.732135 0.332845 C\n0.128918 0.259986 0.914227 O\n0.439483 0.852351 0.784813 O\n0.318299 0.401738 0.684693 O\n0.845225 0.540622 0.937165 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.7660676591263857,
"density_atomic": 0.1183535709734621,
"volume": 236.57925797843748,
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