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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3873",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3871",
"results": [
{
"id": "jvasp-86761",
"created_at": "2022-09-04T14:35:42.001896Z",
"updated_at": "2022-09-04T14:35:42.001927Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.428712 0.093828 0.946956\n2.226987 3.829208 0.946957\n0.543117 0.320127 11.959868\nCa Si Br\n3 1 2\ndirect\n0.789264 0.789265 0.517775 Ca\n0.300481 0.300482 0.121533 Ca\n0.753189 0.753190 0.887625 Ca\n0.025307 0.025307 0.006064 Si\n0.404360 0.404361 0.652089 Br\n0.172400 0.172401 0.390917 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.5876155527674394,
"density_atomic": 0.030343903280783197,
"volume": 197.7332956963319,
"volume_molar": 19.84629566036688,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
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"spacegroup": 8
},
{
"id": "jvasp-14052",
"created_at": "2022-09-04T14:37:49.230023Z",
"updated_at": "2022-09-04T14:37:49.230047Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.126462 0.000000 -0.937391\n-0.212943 4.120963 -0.937391\n0.063891 0.067278 9.832439\nCa Si Br\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.648079 0.648078 0.296157 Ca\n0.351921 0.351922 0.703843 Ca\n0.500000 0.500000 0.000000 Si\n0.815701 0.815701 0.631402 Br\n0.184299 0.184299 0.368598 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 3.0506467639004335,
"density_atomic": 0.03577367984538024,
"volume": 167.72107387143262,
"volume_molar": 16.833998587868756,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
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"spacegroup": 139
},
{
"id": "jvasp-56358",
"created_at": "2022-09-04T14:37:40.972792Z",
"updated_at": "2022-09-04T14:37:40.972812Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.231390 -3.864881 -0.000000\n2.231390 3.864881 -0.000000\n0.000000 0.000000 10.407681\nCa Si Br\n3 1 2\ndirect\n0.333333 0.666667 0.129890 Ca\n0.666667 0.333333 0.870110 Ca\n0.000000 -0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.644080 Br\n0.666667 0.333333 0.355919 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Br-Ca-Si",
"density": 2.8502567359547415,
"density_atomic": 0.03342378840964732,
"volume": 179.51286450425775,
"volume_molar": 18.017528971257466,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1118830116666666,
"spacegroup": 164
},
{
"id": "jvasp-86293",
"created_at": "2022-09-04T14:36:16.012457Z",
"updated_at": "2022-09-04T14:36:16.012476Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.217850 0.117115 11.095191\n2.133584 3.640301 11.095191\n0.197969 0.117115 11.868208\nCa Si Br\n3 1 2\ndirect\n0.451224 0.451226 0.451225 Ca\n0.571094 0.571096 0.571094 Ca\n0.000860 0.000860 0.000860 Ca\n0.285851 0.285853 0.285852 Si\n0.841990 0.841994 0.841991 Br\n0.727977 0.727980 0.727978 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
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"density": 3.0308824877618656,
"density_atomic": 0.035541912308304655,
"volume": 168.81477698649465,
"volume_molar": 16.943772489677993,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1136830116666666,
"spacegroup": 160
},
{
"id": "jvasp-86896",
"created_at": "2022-09-04T14:36:15.564200Z",
"updated_at": "2022-09-04T14:36:15.564231Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.218038 0.117048 11.095358\n2.133617 3.640499 11.095358\n0.197855 0.117048 11.868432\nCa Si Br\n3 1 2\ndirect\n0.451224 0.451224 0.451222 Ca\n0.571103 0.571103 0.571101 Ca\n0.000854 0.000854 0.000854 Ca\n0.285853 0.285853 0.285852 Si\n0.841986 0.841986 0.841982 Br\n0.727984 0.727984 0.727981 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 3.0303774518766153,
"density_atomic": 0.035535989960203546,
"volume": 168.842911277253,
"volume_molar": 16.946596300663483,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1136446783333333,
"spacegroup": 160
},
{
"id": "jvasp-60094",
"created_at": "2022-09-04T14:38:36.647225Z",
"updated_at": "2022-09-04T14:38:36.647236Z",
"structure_string": "Ca12 Si12 Bi8 O48\n1.0\n10.441373 -0.000000 -3.691584\n-5.220687 9.042495 -3.691584\n0.000000 0.000000 11.074749\nCa Si Bi O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Ca\n0.250000 0.375000 0.125000 Ca\n0.625000 0.875000 0.750001 Ca\n0.875000 0.625000 0.250001 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875001 Ca\n0.250000 0.875000 0.625001 Ca\n0.875000 0.750000 0.625001 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.250000 0.375000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.625000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375001 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 0.125001 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 Bi\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.500000 -0.000000 0.500000 Bi\n-0.000000 0.500000 0.500000 Bi\n-0.000000 -0.000000 0.500000 Bi\n-0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.982606 0.710771 0.109392 O\n0.873215 0.390609 0.101380 O\n0.771836 0.398621 0.789229 O\n0.771836 0.873216 0.982607 O\n0.398620 0.789229 0.771837 O\n0.390608 0.789229 0.517394 O\n0.789229 0.771837 0.398621 O\n0.728163 0.710771 0.101380 O\n0.710771 0.109392 0.982607 O\n0.626785 0.728164 0.517394 O\n0.101380 0.873216 0.390609 O\n0.728163 0.517394 0.626785 O\n0.390608 0.101380 0.873215 O\n0.109391 0.982607 0.710772 O\n0.626785 0.398621 0.109392 O\n0.517393 0.390609 0.789229 O\n0.873215 0.982607 0.771837 O\n0.398620 0.109392 0.626785 O\n0.789229 0.517394 0.390609 O\n0.982606 0.771837 0.873216 O\n0.101380 0.728164 0.710772 O\n0.517393 0.626785 0.728164 O\n0.271836 0.289229 0.898621 O\n0.210771 0.228164 0.601380 O\n0.373215 0.271837 0.482607 O\n0.271836 0.482607 0.373216 O\n0.017393 0.289229 0.890609 O\n0.126785 0.609392 0.898621 O\n0.228163 0.601380 0.210771 O\n0.228163 0.126785 0.017393 O\n0.601379 0.210771 0.228164 O\n0.609391 0.210771 0.482607 O\n0.710771 0.101380 0.728164 O\n0.890608 0.373215 0.601380 O\n0.289229 0.898621 0.271837 O\n0.898620 0.271837 0.289229 O\n0.017393 0.228164 0.126785 O\n0.210771 0.482607 0.609392 O\n0.601379 0.890609 0.373216 O\n0.126785 0.017393 0.228164 O\n0.482606 0.609392 0.210772 O\n0.373215 0.601380 0.890609 O\n0.890608 0.017393 0.289229 O\n0.609391 0.898621 0.126785 O\n0.109391 0.626785 0.398621 O\n0.898620 0.126785 0.609392 O\n0.289229 0.890609 0.017394 O\n0.482606 0.373215 0.271837 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Si",
"density": 5.173573107842063,
"density_atomic": 0.07650859156163672,
"volume": 1045.6342009060581,
"volume_molar": 7.8711954266580015,
"formula_full": "Ca12 Si12 Bi8 O48",
"formula_reduced": "Ca3Si3(BiO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.318404883,
"spacegroup": 230
},
{
"id": "jvasp-60091",
"created_at": "2022-09-04T14:38:36.738383Z",
"updated_at": "2022-09-04T14:38:36.738408Z",
"structure_string": "Ca12 Si12 Ag8 O48\n1.0\n10.131343 -0.000000 -3.581971\n-5.065671 8.774001 -3.581971\n0.000000 0.000000 10.745912\nCa Si Ag O\n12 12 8 48\ndirect\n0.375000 0.750000 0.125000 Ca\n0.250000 0.375000 0.125000 Ca\n0.625000 0.875000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.125000 0.375000 0.750000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.250000 0.375000 Ca\n0.750000 0.125000 0.375000 Ca\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 0.125000 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 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 -0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n-0.000000 -0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.983880 0.703068 0.106691 O\n0.877189 0.393310 0.096378 O\n0.780811 0.403622 0.796931 O\n0.780811 0.877189 0.983880 O\n0.403622 0.796931 0.780811 O\n0.393309 0.796931 0.516120 O\n0.796931 0.780811 0.403622 O\n0.719188 0.703068 0.096378 O\n0.703068 0.106690 0.983880 O\n0.622810 0.719188 0.516120 O\n0.096378 0.877189 0.393310 O\n0.719188 0.516120 0.622810 O\n0.393309 0.096378 0.877189 O\n0.106690 0.983880 0.703068 O\n0.622810 0.403622 0.106691 O\n0.516120 0.393310 0.796931 O\n0.877189 0.983880 0.780811 O\n0.403622 0.106690 0.622810 O\n0.796931 0.516120 0.393310 O\n0.983880 0.780811 0.877189 O\n0.096378 0.719188 0.703068 O\n0.516120 0.622810 0.719188 O\n0.280811 0.296931 0.903622 O\n0.203068 0.219188 0.596378 O\n0.377189 0.280811 0.483880 O\n0.280811 0.483880 0.377190 O\n0.016120 0.296931 0.893309 O\n0.122810 0.606690 0.903622 O\n0.219188 0.596378 0.203069 O\n0.219188 0.122810 0.016120 O\n0.596378 0.203068 0.219188 O\n0.606690 0.203068 0.483880 O\n0.703068 0.096378 0.719188 O\n0.893309 0.377189 0.596378 O\n0.296931 0.903622 0.280812 O\n0.903622 0.280811 0.296931 O\n0.016120 0.219188 0.122810 O\n0.203068 0.483880 0.606690 O\n0.596378 0.893309 0.377190 O\n0.122810 0.016120 0.219188 O\n0.483880 0.606690 0.203069 O\n0.377189 0.596378 0.893309 O\n0.893309 0.016120 0.296931 O\n0.606690 0.903622 0.122811 O\n0.106690 0.622810 0.403622 O\n0.903622 0.122810 0.606690 O\n0.296931 0.893309 0.016120 O\n0.483880 0.377189 0.280812 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
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"Si",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O-Si",
"density": 4.257046665432843,
"density_atomic": 0.08374945873183971,
"volume": 955.2300541565859,
"volume_molar": 7.1906623053917285,
"formula_full": "Ca12 Si12 Ag8 O48",
"formula_reduced": "Ca3Si3(AgO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.187651679,
"spacegroup": 230
},
{
"id": "jvasp-22122",
"created_at": "2022-09-04T14:37:44.107352Z",
"updated_at": "2022-09-04T14:37:44.107371Z",
"structure_string": "Ca12 Si8 Sn4 O36\n1.0\n0.000000 7.378050 -0.007524\n10.165736 0.000000 0.000000\n0.000000 -0.208147 -10.476416\nCa Si Sn O\n12 8 4 36\ndirect\n0.363961 0.920633 0.888942 Ca\n0.372895 0.194854 0.402445 Ca\n0.627105 0.805146 0.597555 Ca\n0.372894 0.305146 0.902445 Ca\n0.882019 0.166186 0.415224 Ca\n0.117981 0.666186 0.084776 Ca\n0.627105 0.694855 0.097555 Ca\n0.882019 0.333814 0.915224 Ca\n0.363961 0.579368 0.388942 Ca\n0.636039 0.079368 0.111058 Ca\n0.636039 0.420632 0.611058 Ca\n0.117980 0.833814 0.584776 Ca\n0.600159 0.135710 0.693911 Si\n0.399841 0.635711 0.806089 Si\n0.399841 0.864290 0.306089 Si\n0.600159 0.364290 0.193911 Si\n0.166564 0.124528 0.684150 Si\n0.833435 0.624529 0.815851 Si\n0.833435 0.875472 0.315850 Si\n0.166564 0.375472 0.184149 Si\n0.879988 0.940047 0.882577 Sn\n0.120011 0.440047 0.617423 Sn\n0.879988 0.559954 0.382577 Sn\n0.120011 0.059953 0.117423 Sn\n0.352620 0.766646 0.721640 O\n0.647379 0.266646 0.778360 O\n0.898479 0.767865 0.760636 O\n0.101520 0.267865 0.739364 O\n0.101521 0.232135 0.239364 O\n0.898479 0.732135 0.260636 O\n0.383144 0.392289 0.231039 O\n0.616855 0.892290 0.268961 O\n0.616855 0.607711 0.768961 O\n0.915224 0.003804 0.241621 O\n0.084775 0.503804 0.258378 O\n0.084775 0.996196 0.758379 O\n0.915224 0.496196 0.741622 O\n0.855179 0.607801 0.968344 O\n0.144820 0.107801 0.531656 O\n0.383144 0.107711 0.731039 O\n0.352620 0.733354 0.221640 O\n0.091635 0.616984 0.509411 O\n0.304661 0.003038 0.262952 O\n0.341790 0.389929 0.516467 O\n0.658210 0.889929 0.983533 O\n0.658210 0.610071 0.483533 O\n0.341790 0.110071 0.016467 O\n0.908365 0.116984 0.990589 O\n0.144820 0.392199 0.031656 O\n0.091635 0.883017 0.009411 O\n0.908365 0.383017 0.490589 O\n0.620275 0.167162 0.543284 O\n0.379724 0.667162 0.956717 O\n0.379724 0.832839 0.456716 O\n0.620275 0.332838 0.043283 O\n0.695339 0.996962 0.737048 O\n0.304661 0.496962 0.762953 O\n0.855179 0.892200 0.468344 O\n0.647379 0.233354 0.278360 O\n0.695339 0.503039 0.237047 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ca-O-Si-Sn",
"density": 3.7117615210428556,
"density_atomic": 0.07635707698600673,
"volume": 785.7817817069616,
"volume_molar": 7.886814160138194,
"formula_full": "Ca12 Si8 Sn4 O36",
"formula_reduced": "Ca3Si2SnO9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.042944110666667,
"spacegroup": 14
},
{
"id": "jvasp-51910",
"created_at": "2022-09-04T14:37:16.900736Z",
"updated_at": "2022-09-04T14:37:16.900762Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.355092 0.006478 -0.267286\n-0.279036 6.348967 -0.267286\n0.006193 0.006478 6.360708\nCa Sc Co O\n6 2 2 12\ndirect\n0.749999 0.380415 0.119585 Ca\n0.119585 0.750000 0.380414 Ca\n0.380414 0.119586 0.750000 Ca\n0.619584 0.880415 0.249999 Ca\n0.880414 0.250001 0.619585 Ca\n0.249999 0.619586 0.880414 Ca\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750001 0.749999 Sc\n0.499999 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.456847 0.791250 0.588060 O\n0.411939 0.543153 0.208750 O\n0.208750 0.411940 0.543152 O\n0.588060 0.456848 0.791249 O\n0.708750 0.043153 0.911939 O\n0.956847 0.088061 0.291249 O\n0.291249 0.956848 0.088060 O\n0.911939 0.708751 0.043151 O\n0.043151 0.911940 0.708750 O\n0.088060 0.291250 0.956848 O\n0.543152 0.208751 0.411939 O\n0.791249 0.588061 0.456847 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ca-Co-O-Sc",
"density": 4.141943829501862,
"density_atomic": 0.08571082063700325,
"volume": 256.6770430675601,
"volume_molar": 7.026114923697405,
"formula_full": "Ca6 Sc2 Co2 O12",
"formula_reduced": "Ca3ScCoO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-49721",
"created_at": "2022-09-04T14:37:16.875427Z",
"updated_at": "2022-09-04T14:37:16.875436Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.354998 0.006613 -0.267154\n-0.278897 6.348879 -0.267154\n0.006321 0.006613 6.360609\nCa Sc Co O\n6 2 2 12\ndirect\n0.750000 0.380405 0.119596 Ca\n0.119595 0.750000 0.380406 Ca\n0.380405 0.119595 0.750000 Ca\n0.619595 0.880405 0.250001 Ca\n0.880405 0.249999 0.619596 Ca\n0.250000 0.619595 0.880406 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750001 Sc\n0.500000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.456837 0.791248 0.588067 O\n0.411934 0.543162 0.208753 O\n0.208752 0.411934 0.543163 O\n0.588066 0.456837 0.791249 O\n0.708752 0.043162 0.911934 O\n0.956838 0.088066 0.291249 O\n0.291248 0.956838 0.088067 O\n0.911934 0.708752 0.043163 O\n0.043162 0.911934 0.708753 O\n0.088066 0.291248 0.956838 O\n0.543162 0.208752 0.411934 O\n0.791248 0.588066 0.456839 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.1421160086633595,
"density_atomic": 0.08571438360594634,
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"volume_molar": 7.025822862689549,
"formula_full": "Ca6 Sc2 Co2 O12",
"formula_reduced": "Ca3ScCoO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.8259816736363637,
"spacegroup": 167
},
{
"id": "jvasp-117268",
"created_at": "2022-09-04T14:38:47.125318Z",
"updated_at": "2022-09-04T14:38:47.125345Z",
"structure_string": "Ca6 Sc2 Co2 O12\n1.0\n6.348228 0.007231 -0.266467\n-0.278189 6.342134 -0.266467\n0.006913 0.007231 6.353814\nCa Sc Co O\n6 2 2 12\ndirect\n0.380221 0.749999 0.119778 Ca\n0.750000 0.119778 0.380221 Ca\n0.119778 0.380221 0.749999 Ca\n0.880221 0.619778 0.249999 Ca\n0.250000 0.880221 0.619778 Ca\n0.619778 0.250000 0.880220 Ca\n0.250000 0.250000 0.250000 Sc\n0.750000 0.749999 0.749999 Sc\n0.500000 0.500000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.791525 0.456830 0.587850 O\n0.543169 0.412148 0.208475 O\n0.412149 0.208475 0.543169 O\n0.456830 0.587851 0.791524 O\n0.043169 0.708475 0.912148 O\n0.087851 0.956830 0.291524 O\n0.956831 0.291524 0.087851 O\n0.708475 0.912148 0.043169 O\n0.912149 0.043169 0.708474 O\n0.291524 0.087851 0.956830 O\n0.208475 0.543169 0.412148 O\n0.587851 0.791524 0.456830 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ca-Co-O-Sc",
"density": 4.15533099674854,
"density_atomic": 0.08598784638576999,
"volume": 255.85011050632323,
"volume_molar": 7.003478995139242,
"formula_full": "Ca6 Sc2 Co2 O12",
"formula_reduced": "Ca3ScCoO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
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{
"id": "jvasp-36467",
"created_at": "2022-09-04T14:37:30.080547Z",
"updated_at": "2022-09-04T14:37:30.080574Z",
"structure_string": "Ca3 Sb1 P1\n1.0\n5.360682 0.000000 0.000000\n0.000000 5.360682 0.000000\n0.000000 0.000000 5.360682\nCa Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 P\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Ca-P-Sb",
"density": 2.9423905743790146,
"density_atomic": 0.03245711157629513,
"volume": 154.04944424111113,
"volume_molar": 18.554148744394855,
"formula_full": "Ca3 Sb1 P1",
"formula_reduced": "Ca3SbP",
"formula_anonymous": "ABC3",
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"spacegroup": 221
}
]
}