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=formula_anonymous&page=70",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=68",
"results": [
{
"id": "jvasp-85849",
"created_at": "2022-09-04T14:35:46.429406Z",
"updated_at": "2022-09-04T14:35:46.429429Z",
"structure_string": "Nd2 Fe17\n1.0\n6.270945 0.033573 0.787573\n0.698996 6.231956 0.787573\n0.037348 0.033573 6.320097\nNd Fe\n2 17\ndirect\n0.655248 0.655247 0.655246 Nd\n0.344754 0.344753 0.344753 Nd\n0.334888 0.334887 0.848439 Fe\n0.334888 0.848439 0.334887 Fe\n0.848440 0.334887 0.334887 Fe\n0.151562 0.665113 0.665112 Fe\n0.665114 0.665113 0.151561 Fe\n0.665114 0.151561 0.665112 Fe\n0.287093 -0.000000 0.712908 Fe\n0.090973 0.090973 0.090973 Fe\n0.712908 -0.000000 0.287092 Fe\n0.000000 0.287092 0.712908 Fe\n0.287093 0.712908 -0.000001 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.909029 0.909027 0.909026 Fe\n0.712908 0.287092 -0.000001 Fe\n0.000001 0.712908 0.287092 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Nd",
"Fe"
],
"chemical_system": "Fe-Nd",
"density": 8.338288078651336,
"density_atomic": 0.07707503467418117,
"volume": 246.51302565504622,
"volume_molar": 7.813348103516734,
"formula_full": "Nd2 Fe17",
"formula_reduced": "Nd2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.094622447368421,
"spacegroup": 166
},
{
"id": "jvasp-97585",
"created_at": "2022-09-04T14:35:58.459794Z",
"updated_at": "2022-09-04T14:35:58.459825Z",
"structure_string": "Tm4 Ni34\n1.0\n8.212304 -0.000000 -0.000000\n-4.106152 7.112064 -0.000000\n0.000000 -0.000000 7.964674\nTm Ni\n4 34\ndirect\n0.666666 0.333333 0.250000 Tm\n0.000000 0.000000 0.250000 Tm\n0.333333 0.666666 0.750000 Tm\n0.000000 0.000000 0.750000 Tm\n0.164965 0.835035 0.522523 Ni\n0.164965 0.329929 0.522523 Ni\n0.670070 0.835035 0.522523 Ni\n0.329929 0.164965 0.022524 Ni\n0.835035 0.670070 0.477476 Ni\n0.835035 0.164965 0.022524 Ni\n0.041638 0.672603 0.250000 Ni\n0.164965 0.835035 0.977476 Ni\n0.670070 0.835035 0.977476 Ni\n0.329929 0.164965 0.477476 Ni\n0.835035 0.164965 0.477476 Ni\n0.164965 0.329929 0.977476 Ni\n0.327397 0.369035 0.250000 Ni\n0.630965 0.958362 0.250000 Ni\n0.835035 0.670070 0.022524 Ni\n0.333333 0.666666 0.100753 Ni\n0.672603 0.630965 0.750000 Ni\n0.666666 0.333333 0.600753 Ni\n0.666666 0.333333 0.899246 Ni\n0.333333 0.666666 0.399246 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.327397 0.958362 0.250000 Ni\n0.369035 0.327397 0.750000 Ni\n0.958362 0.630965 0.750000 Ni\n0.041638 0.369035 0.250000 Ni\n0.630965 0.672603 0.250000 Ni\n0.369035 0.041638 0.750000 Ni\n0.672603 0.041638 0.750000 Ni\n0.958362 0.327397 0.750000 Ni\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tm",
"Ni"
],
"chemical_system": "Ni-Tm",
"density": 9.53553590805269,
"density_atomic": 0.08168737088075513,
"volume": 465.18818747969385,
"volume_molar": 7.372180907610489,
"formula_full": "Tm4 Ni34",
"formula_reduced": "Tm2Ni17",
"formula_anonymous": "A2B17",
"energy_above_hull": 1.3361252263157894,
"spacegroup": 194
},
{
"id": "jvasp-86348",
"created_at": "2022-09-04T14:36:12.634443Z",
"updated_at": "2022-09-04T14:36:12.634483Z",
"structure_string": "Nd2 Fe17\n1.0\n6.270392 0.033150 0.787033\n0.698517 6.231451 0.787033\n0.036878 0.033150 6.319483\nNd Fe\n2 17\ndirect\n0.655239 0.655239 0.655238 Nd\n0.344761 0.344761 0.344761 Nd\n0.334884 0.334884 0.848447 Fe\n0.334884 0.848448 0.334883 Fe\n0.848448 0.334884 0.334883 Fe\n0.151553 0.665116 0.665115 Fe\n0.665116 0.665116 0.151551 Fe\n0.665116 0.151552 0.665116 Fe\n0.287100 -0.000000 0.712900 Fe\n0.090982 0.090982 0.090982 Fe\n0.712901 -0.000000 0.287099 Fe\n0.000000 0.287099 0.712900 Fe\n0.287100 0.712901 -0.000001 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.909018 0.909017 0.909016 Fe\n0.712901 0.287099 -0.000001 Fe\n0.000000 0.712901 0.287099 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Nd",
"Fe"
],
"chemical_system": "Fe-Nd",
"density": 8.340298558544154,
"density_atomic": 0.0770936185616637,
"volume": 246.45360218502077,
"volume_molar": 7.8114646482486245,
"formula_full": "Nd2 Fe17",
"formula_reduced": "Nd2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.094620342105263,
"spacegroup": 166
},
{
"id": "jvasp-86343",
"created_at": "2022-09-04T14:35:51.062641Z",
"updated_at": "2022-09-04T14:35:51.062656Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Sm",
"Fe"
],
"chemical_system": "Fe-Sm",
"density": 8.542611966232949,
"density_atomic": 0.07819079686528314,
"volume": 242.9953493470027,
"volume_molar": 7.701853672594866,
"formula_full": "Sm2 Fe17",
"formula_reduced": "Sm2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.07868375,
"spacegroup": 166
},
{
"id": "jvasp-21806",
"created_at": "2022-09-04T14:38:28.152567Z",
"updated_at": "2022-09-04T14:38:28.152585Z",
"structure_string": "Ti2 Be17\n1.0\n5.504507 -0.001628 0.694516\n0.612191 5.470358 0.694516\n-0.001820 -0.001628 5.548148\nTi Be\n2 17\ndirect\n0.836127 0.836126 0.836128 Ti\n0.163874 0.163874 0.163874 Ti\n0.846039 0.846038 0.339600 Be\n0.846039 0.339598 0.846040 Be\n0.339599 0.846038 0.846040 Be\n0.660402 0.153961 0.153962 Be\n0.153962 0.153961 0.660402 Be\n0.153961 0.660402 0.153962 Be\n0.500000 0.795067 0.204934 Be\n0.401164 0.401164 0.401165 Be\n0.500000 0.204932 0.795068 Be\n0.204933 0.795067 0.500001 Be\n0.795068 0.500000 0.204934 Be\n0.500000 -0.000000 0.500001 Be\n-0.000000 0.500000 0.500001 Be\n0.500000 0.500000 0.000001 Be\n0.598836 0.598836 0.598837 Be\n0.204933 0.500000 0.795068 Be\n0.795068 0.204932 0.500001 Be\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ti",
"Be"
],
"chemical_system": "Be-Ti",
"density": 2.4740971215342924,
"density_atomic": 0.1137168061830103,
"volume": 167.08172378163982,
"volume_molar": 5.295735047560393,
"formula_full": "Ti2 Be17",
"formula_reduced": "Ti2Be17",
"formula_anonymous": "A2B17",
"energy_above_hull": 2.571580545614035,
"spacegroup": 166
},
{
"id": "jvasp-98745",
"created_at": "2022-09-04T14:36:07.584501Z",
"updated_at": "2022-09-04T14:36:07.584528Z",
"structure_string": "V8 S8 O44\n1.0\n8.980776 0.000000 0.000000\n0.000000 9.165703 -2.404769\n0.000000 -0.018770 9.914986\nV S O\n8 8 44\ndirect\n0.375765 0.877004 0.177667 V\n0.867549 0.644511 0.330335 V\n0.367548 0.855488 0.669665 V\n0.132452 0.355488 0.669665 V\n0.875766 0.622995 0.822334 V\n0.124235 0.377004 0.177667 V\n0.624235 0.122996 0.822334 V\n0.632452 0.144512 0.330335 V\n0.574895 0.786658 0.897588 S\n0.925106 0.286658 0.897588 S\n0.425106 0.213342 0.102412 S\n0.074895 0.713342 0.102412 S\n0.716654 0.929201 0.526907 S\n0.783347 0.429201 0.526907 S\n0.283347 0.070799 0.473093 S\n0.216654 0.570799 0.473093 S\n0.177157 0.833394 0.089459 O\n0.553415 0.220634 0.008804 O\n0.053414 0.279366 0.991196 O\n0.446586 0.779366 0.991196 O\n0.946586 0.720634 0.008804 O\n0.484056 0.254188 0.250063 O\n0.515945 0.745812 0.749938 O\n0.015945 0.754187 0.250063 O\n0.352629 0.071457 0.068106 O\n0.647371 0.928542 0.931894 O\n0.155299 0.171547 0.523912 O\n0.677157 0.666606 0.910541 O\n0.984056 0.245812 0.749938 O\n0.852630 0.428542 0.931894 O\n0.072781 0.642207 0.498205 O\n0.958742 0.478533 0.240443 O\n0.572781 0.857793 0.501795 O\n0.927220 0.357793 0.501795 O\n0.427220 0.142207 0.498206 O\n0.245818 0.509517 0.320535 O\n0.745818 0.990482 0.679466 O\n0.754183 0.490482 0.679466 O\n0.254182 0.009517 0.320535 O\n0.234492 0.447167 0.540750 O\n0.734492 0.052832 0.459250 O\n0.765508 0.552832 0.459250 O\n0.265508 0.947167 0.540750 O\n0.344701 0.671547 0.523912 O\n0.322843 0.333394 0.089459 O\n0.844701 0.828453 0.476088 O\n0.655300 0.328453 0.476088 O\n0.392033 0.744415 0.247818 O\n0.892033 0.755584 0.752182 O\n0.607967 0.255584 0.752182 O\n0.107967 0.244416 0.247818 O\n0.769478 0.151307 0.230284 O\n0.269477 0.348693 0.769716 O\n0.230523 0.848693 0.769716 O\n0.730523 0.651307 0.230284 O\n0.541259 0.978533 0.240443 O\n0.041258 0.521466 0.759557 O\n0.458742 0.021467 0.759557 O\n0.147371 0.571457 0.068106 O\n0.822843 0.166606 0.910541 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"V",
"S",
"O"
],
"chemical_system": "O-S-V",
"density": 2.7847571796050277,
"density_atomic": 0.07355213114636525,
"volume": 815.7479472702545,
"volume_molar": 8.18758160523755,
"formula_full": "V8 S8 O44",
"formula_reduced": "V2S2O11",
"formula_anonymous": "A2B2C11",
"energy_above_hull": 3.112923126666667,
"spacegroup": 14
},
{
"id": "jvasp-11442",
"created_at": "2022-09-04T14:37:16.622169Z",
"updated_at": "2022-09-04T14:37:16.622195Z",
"structure_string": "Ce2 Al2 Co15\n1.0\n6.255709 0.027959 0.798786\n0.706789 6.215717 0.798786\n0.031177 0.027959 6.306424\nCe Al Co\n2 2 15\ndirect\n0.645628 0.645628 0.645628 Ce\n0.354373 0.354373 0.354373 Ce\n0.105719 0.105719 0.105719 Al\n0.894281 0.894282 0.894281 Al\n0.351371 0.351371 0.853233 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.287095 0.712905 0.000001 Co\n0.712905 0.000000 0.287095 Co\n0.712905 0.287095 0.000001 Co\n0.853234 0.351371 0.351371 Co\n0.287095 0.000000 0.712904 Co\n0.648630 0.146767 0.648630 Co\n0.648630 0.648630 0.146767 Co\n0.146767 0.648630 0.648630 Co\n0.351370 0.853234 0.351371 Co\n0.000000 0.287095 0.712904 Co\n0.000000 0.712905 0.287095 Co\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Co"
],
"chemical_system": "Al-Ce-Co",
"density": 8.262813616804543,
"density_atomic": 0.07760976343043338,
"volume": 244.81455889285013,
"volume_molar": 7.759514388158175,
"formula_full": "Ce2 Al2 Co15",
"formula_reduced": "Ce2Al2Co15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 3.775024742105263,
"spacegroup": 166
},
{
"id": "jvasp-122039",
"created_at": "2022-09-04T14:38:55.016504Z",
"updated_at": "2022-09-04T14:38:55.016531Z",
"structure_string": "Sm2 Mn2 Fe15\n1.0\n6.233756 0.027801 0.800117\n0.707495 6.193540 0.800117\n0.031019 0.027801 6.284817\nSm Mn Fe\n2 2 15\ndirect\n0.654465 0.654464 0.654465 Sm\n0.345537 0.345536 0.345536 Sm\n0.909197 0.909195 0.909196 Mn\n0.090805 0.090805 0.090805 Mn\n0.663927 0.663926 0.152894 Fe\n0.336075 0.847106 0.336075 Fe\n0.847108 0.336074 0.336075 Fe\n0.336075 0.336074 0.847107 Fe\n0.291958 0.708043 0.000000 Fe\n0.708043 -0.000000 0.291958 Fe\n0.291958 -0.000000 0.708043 Fe\n0.152894 0.663926 0.663926 Fe\n0.000001 0.708043 0.291958 Fe\n0.708043 0.291957 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.000000 0.291957 0.708043 Fe\n0.663927 0.152893 0.663926 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn-Sm",
"density": 8.556425304509009,
"density_atomic": 0.07843103652073972,
"volume": 242.25103789079444,
"volume_molar": 7.678262365444513,
"formula_full": "Sm2 Mn2 Fe15",
"formula_reduced": "Sm2Mn2Fe15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 4.1831581438294,
"spacegroup": 166
},
{
"id": "jvasp-112948",
"created_at": "2022-09-04T14:38:45.515261Z",
"updated_at": "2022-09-04T14:38:45.515291Z",
"structure_string": "Y2 Ga2 Fe15\n1.0\n6.282469 0.011647 0.849421\n0.743852 6.238288 0.849421\n0.013093 0.011647 6.339618\nY Ga Fe\n2 2 15\ndirect\n0.653318 0.653319 0.653318 Y\n0.346682 0.346682 0.346682 Y\n0.897603 0.897605 0.897604 Ga\n0.102396 0.102396 0.102396 Ga\n0.658876 0.658877 0.159742 Fe\n0.840258 0.341125 0.341124 Fe\n0.341123 0.840259 0.341124 Fe\n0.341123 0.341125 0.840258 Fe\n0.697218 0.302783 -0.000000 Fe\n-0.000000 0.697218 0.302782 Fe\n-0.000001 0.302783 0.697218 Fe\n0.658876 0.159743 0.658876 Fe\n0.697218 0.000001 0.302782 Fe\n0.302782 0.697218 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.302782 0.000001 0.697218 Fe\n0.159741 0.658877 0.658876 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Y",
"density": 7.7243127243455945,
"density_atomic": 0.07652576395235208,
"volume": 248.28239561032203,
"volume_molar": 7.869429129449292,
"formula_full": "Y2 Ga2 Fe15",
"formula_reduced": "Y2Ga2Fe15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 3.741365160526315,
"spacegroup": 166
},
{
"id": "jvasp-116524",
"created_at": "2022-09-04T14:38:43.044623Z",
"updated_at": "2022-09-04T14:38:43.044637Z",
"structure_string": "Nd2 Al2 Fe15\n1.0\n6.332027 0.028795 0.846419\n0.744586 6.288163 0.846419\n0.032258 0.028795 6.388267\nNd Al Fe\n2 2 15\ndirect\n0.652749 0.652749 0.652749 Nd\n0.347252 0.347252 0.347252 Nd\n0.898222 0.898222 0.898222 Al\n0.101779 0.101779 0.101779 Al\n0.661234 0.661233 0.158307 Fe\n0.338768 0.841693 0.338767 Fe\n0.841694 0.338768 0.338767 Fe\n0.338768 0.338768 0.841693 Fe\n0.286690 0.713311 0.000000 Fe\n0.713311 0.000001 0.286689 Fe\n0.286689 0.000001 0.713311 Fe\n0.158308 0.661233 0.661233 Fe\n0.000001 0.713311 0.286689 Fe\n0.713311 0.286690 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.286690 0.713311 Fe\n0.661233 0.158308 0.661233 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Nd",
"density": 7.717653211156198,
"density_atomic": 0.07482777442100466,
"volume": 253.9164120143412,
"volume_molar": 8.048001970655358,
"formula_full": "Nd2 Al2 Fe15",
"formula_reduced": "Nd2Al2Fe15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 3.855860057894736,
"spacegroup": 166
},
{
"id": "jvasp-86431",
"created_at": "2022-09-04T14:36:13.050068Z",
"updated_at": "2022-09-04T14:36:13.050097Z",
"structure_string": "Sm2 Cr2 Fe15\n1.0\n6.261498 0.014082 0.817901\n0.719822 6.220001 0.817901\n0.015771 0.014082 6.314671\nSm Cr Fe\n2 2 15\ndirect\n0.344410 0.344410 0.344410 Sm\n0.655590 0.655589 0.655589 Sm\n0.088892 0.088892 0.088892 Cr\n0.911108 0.911108 0.911108 Cr\n0.336675 0.845768 0.336675 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.500000 -0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.294113 0.705887 -0.000000 Fe\n-0.000000 0.294113 0.705887 Fe\n0.705887 0.294113 -0.000000 Fe\n-0.000000 0.705887 0.294113 Fe\n0.294113 -0.000000 0.705887 Fe\n0.663325 0.154231 0.663324 Fe\n0.663324 0.663324 0.154232 Fe\n0.154232 0.663324 0.663324 Fe\n0.845768 0.336675 0.336675 Fe\n0.336675 0.336675 0.845768 Fe\n0.705887 -0.000000 0.294113 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sm",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Sm",
"density": 8.395641750947547,
"density_atomic": 0.07732170710001002,
"volume": 245.7265975184029,
"volume_molar": 7.788421888061522,
"formula_full": "Sm2 Cr2 Fe15",
"formula_reduced": "Sm2Cr2Fe15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 4.2570460552631575,
"spacegroup": 166
},
{
"id": "jvasp-112530",
"created_at": "2022-09-04T14:38:41.170465Z",
"updated_at": "2022-09-04T14:38:41.170496Z",
"structure_string": "Pr2 Al2 Fe15\n1.0\n6.345331 0.006594 0.869247\n0.759175 6.299756 0.869247\n0.007429 0.006594 6.404589\nPr Al Fe\n2 2 15\ndirect\n0.652725 0.652725 0.652726 Pr\n0.347275 0.347275 0.347275 Pr\n0.898369 0.898369 0.898371 Al\n0.101630 0.101630 0.101630 Al\n0.661757 0.661758 0.157857 Fe\n0.338242 0.842143 0.338243 Fe\n0.842143 0.338242 0.338243 Fe\n0.338242 0.338242 0.842144 Fe\n0.284880 0.715120 0.000001 Fe\n0.715120 -0.000001 0.284881 Fe\n0.284880 -0.000001 0.715120 Fe\n0.157856 0.661758 0.661758 Fe\n-0.000001 0.715120 0.284881 Fe\n0.715119 0.284880 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n-0.000000 0.284880 0.715120 Fe\n0.661758 0.157856 0.661758 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Pr",
"density": 7.6141834734721385,
"density_atomic": 0.07424410935903512,
"volume": 255.91255877443965,
"volume_molar": 8.111270795744465,
"formula_full": "Pr2 Al2 Fe15",
"formula_reduced": "Pr2Al2Fe15",
"formula_anonymous": "A2B2C15",
"energy_above_hull": 3.863729357894736,
"spacegroup": 166
}
]
}