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=structure_string&page=829",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=827",
"results": [
{
"id": "jvasp-27718",
"created_at": "2022-09-04T14:38:09.266383Z",
"updated_at": "2022-09-04T14:38:09.266418Z",
"structure_string": "Ca2 Fe2 Ge4 O12\n1.0\n5.313491 -0.134119 1.044759\n1.169985 6.678923 0.867880\n-0.167074 0.166077 6.831880\nCa Fe Ge O\n2 2 4 12\ndirect\n0.750000 0.309846 0.690154 Ca\n0.250000 0.690154 0.309846 Ca\n0.749999 0.918963 0.081037 Fe\n0.250000 0.081037 0.918963 Fe\n0.770112 0.389483 0.182017 Ge\n0.729887 0.817983 0.610516 Ge\n0.229888 0.610516 0.817983 Ge\n0.270112 0.182017 0.389484 Ge\n0.637729 0.985488 0.790910 O\n0.862270 0.209090 0.014512 O\n0.646022 0.635849 0.102679 O\n0.853977 0.897320 0.364151 O\n0.353978 0.364151 0.897321 O\n0.974801 0.606303 0.675291 O\n0.025198 0.393697 0.324709 O\n0.474801 0.675291 0.606303 O\n0.137730 0.790910 0.985488 O\n0.525198 0.324709 0.393697 O\n0.146023 0.102679 0.635849 O\n0.362270 0.014512 0.209090 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Ge",
"O"
],
"chemical_system": "Ca-Fe-Ge-O",
"density": 4.586850980149511,
"density_atomic": 0.08191788673749159,
"volume": 244.14692317552843,
"volume_molar": 7.351435687419691,
"formula_full": "Ca2 Fe2 Ge4 O12",
"formula_reduced": "CaFe(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.084233882,
"spacegroup": 15
},
{
"id": "jvasp-91558",
"created_at": "2022-09-04T14:36:11.082161Z",
"updated_at": "2022-09-04T14:36:11.082191Z",
"structure_string": "Ca2 Fe2 O4\n1.0\n0.000000 -0.000000 3.185337\n5.415560 -0.000000 -0.000000\n-0.000000 5.415560 0.000000\nCa Fe O\n2 2 4\ndirect\n0.500007 0.500000 0.000000 Ca\n0.499994 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n-0.000052 0.749969 0.249969 O\n0.000052 0.750031 0.749969 O\n-0.000052 0.250031 0.750031 O\n0.000052 0.249969 0.250031 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.547592326335546,
"density_atomic": 0.08563432071078615,
"volume": 93.42048764558429,
"volume_molar": 7.03239158086937,
"formula_full": "Ca2 Fe2 O4",
"formula_reduced": "CaFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3891407299999998,
"spacegroup": 123
},
{
"id": "jvasp-8624",
"created_at": "2022-09-04T14:36:37.114854Z",
"updated_at": "2022-09-04T14:36:37.114887Z",
"structure_string": "Ca2 Fe2 O4\n1.0\n5.414901 0.000000 0.000000\n0.000000 5.414901 0.000000\n0.000000 0.000000 3.185086\nCa Fe O\n2 2 4\ndirect\n0.500000 0.000000 0.500009 Ca\n0.000000 0.500000 0.499992 Ca\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.750032 0.749968 0.000044 O\n0.250032 0.750032 -0.000044 O\n0.749968 0.249968 -0.000044 O\n0.249968 0.250032 0.000044 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.549057747906482,
"density_atomic": 0.08566191561634867,
"volume": 93.39039341391043,
"volume_molar": 7.03012618462932,
"formula_full": "Ca2 Fe2 O4",
"formula_reduced": "CaFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3895982299999998,
"spacegroup": 123
},
{
"id": "jvasp-91738",
"created_at": "2022-09-04T14:36:03.109825Z",
"updated_at": "2022-09-04T14:36:03.109854Z",
"structure_string": "Ca2 Fe2 S2 O2\n1.0\n-1.881971 -3.259671 0.000000\n-1.881971 3.259671 0.000000\n0.000000 0.000000 -11.091922\nCa Fe S O\n2 2 2 2\ndirect\n0.333333 0.666667 0.792387 Ca\n0.666667 0.333333 0.292388 Ca\n0.000000 0.000000 0.056069 Fe\n0.000000 0.000000 0.556069 Fe\n0.666667 0.333333 0.975991 S\n0.333333 0.666667 0.475991 S\n0.000000 0.000000 0.224513 O\n0.000000 0.000000 0.724513 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"S",
"O"
],
"chemical_system": "Ca-Fe-O-S",
"density": 3.5138246451325905,
"density_atomic": 0.05878499542670597,
"volume": 136.08914897296407,
"volume_molar": 10.244350137797488,
"formula_full": "Ca2 Fe2 S2 O2",
"formula_reduced": "CaFeSO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.3823298549999996,
"spacegroup": 186
},
{
"id": "jvasp-55320",
"created_at": "2022-09-04T14:36:51.936999Z",
"updated_at": "2022-09-04T14:36:51.937023Z",
"structure_string": "Ca2 Fe2 Si4 O12\n1.0\n5.114136 -0.137438 1.070761\n1.258324 6.546833 0.619812\n-0.183744 0.182021 6.690417\nCa Fe Si O\n2 2 4 12\ndirect\n0.750001 0.303227 0.696772 Ca\n0.250000 0.696772 0.303228 Ca\n0.750000 0.918229 0.081771 Fe\n0.250001 0.081771 0.918230 Fe\n0.268240 0.192788 0.385828 Si\n0.768240 0.385828 0.192788 Si\n0.731761 0.807211 0.614172 Si\n0.231761 0.614171 0.807212 Si\n-0.014338 0.624947 0.672269 O\n0.014339 0.375052 0.327732 O\n0.828933 0.886565 0.382224 O\n0.671067 0.617775 0.113434 O\n0.846388 0.217208 0.027503 O\n0.328934 0.382224 0.886566 O\n0.514339 0.327731 0.375052 O\n0.153613 0.782791 0.972497 O\n0.346388 0.027503 0.217208 O\n0.653613 0.972496 0.782792 O\n0.171068 0.113434 0.617776 O\n0.485662 0.672268 0.624948 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-O-Si",
"density": 3.6435445424745194,
"density_atomic": 0.08844331786999425,
"volume": 226.13353367632206,
"volume_molar": 6.809039851775059,
"formula_full": "Ca2 Fe2 Si4 O12",
"formula_reduced": "CaFe(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.573399412,
"spacegroup": 15
},
{
"id": "jvasp-113156",
"created_at": "2022-09-04T14:38:47.322444Z",
"updated_at": "2022-09-04T14:38:47.322469Z",
"structure_string": "Ca2 Fe3 O8\n1.0\n4.704397 -0.015391 -1.451760\n-0.847202 5.046059 -2.798721\n-0.019032 0.059975 6.190390\nCa Fe O\n2 3 8\ndirect\n0.669647 0.724541 0.449083 Ca\n0.330354 0.275460 0.550918 Ca\n0.500000 0.000000 -0.000000 Fe\n0.000002 0.743653 0.000003 Fe\n-0.000002 0.256347 0.999997 Fe\n0.036170 0.397797 0.795588 O\n0.963831 0.602204 0.204413 O\n0.100424 0.903356 0.806708 O\n0.899577 0.096645 0.193293 O\n0.389713 0.320846 0.199201 O\n0.389718 0.878359 0.199206 O\n0.610283 0.121641 0.800794 O\n0.610288 0.679154 0.800800 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.226739659565298,
"density_atomic": 0.0880794331890418,
"volume": 147.59404697914616,
"volume_molar": 6.837170201895931,
"formula_full": "Ca2 Fe3 O8",
"formula_reduced": "Ca2Fe3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5546296415384613,
"spacegroup": 12
},
{
"id": "jvasp-11283",
"created_at": "2022-09-04T14:37:33.353707Z",
"updated_at": "2022-09-04T14:37:33.353735Z",
"structure_string": "Ca2 Fe3 O8\n1.0\n4.705596 0.001886 -1.466221\n-0.855840 5.086572 -2.740136\n-0.001851 -0.013057 6.201218\nCa Fe O\n2 3 8\ndirect\n0.669649 0.724584 0.449167 Ca\n0.330351 0.275417 0.550833 Ca\n0.500000 0.999999 -0.000000 Fe\n1.000000 0.743652 0.000000 Fe\n1.000000 0.256349 0.000000 Fe\n0.036742 0.398163 0.796327 O\n0.963259 0.601835 0.203673 O\n0.100426 0.903639 0.807279 O\n0.899575 0.096359 0.192720 O\n0.389590 0.320560 0.199002 O\n0.389590 0.878443 0.199002 O\n0.610412 0.121556 0.800998 O\n0.610412 0.679440 0.800998 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.2083270012030916,
"density_atomic": 0.08769573874777749,
"volume": 148.23981399357862,
"volume_molar": 6.867084816196524,
"formula_full": "Ca2 Fe3 O8",
"formula_reduced": "Ca2Fe3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5555673338461538,
"spacegroup": 12
},
{
"id": "jvasp-97024",
"created_at": "2022-09-04T14:36:33.590133Z",
"updated_at": "2022-09-04T14:36:33.590157Z",
"structure_string": "Ca2 Fe4 As4\n1.0\n3.972931 -0.000000 -0.000000\n0.000000 3.972931 0.000000\n0.000000 -0.000000 10.494573\nCa Fe As\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.250000 Fe\n0.000000 0.500000 0.750000 Fe\n0.000000 0.500000 0.250000 Fe\n0.500000 0.000000 0.750000 Fe\n0.000000 0.000000 0.637898 As\n0.500000 0.500000 0.137898 As\n0.000000 0.000000 0.362102 As\n0.500000 0.500000 0.862102 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"As"
],
"chemical_system": "As-Ca-Fe",
"density": 6.046996814742964,
"density_atomic": 0.06036888883144645,
"volume": 165.64823692416468,
"volume_molar": 9.97556999403149,
"formula_full": "Ca2 Fe4 As4",
"formula_reduced": "Ca(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.243204984,
"spacegroup": 139
},
{
"id": "jvasp-11031",
"created_at": "2022-09-04T14:37:16.912841Z",
"updated_at": "2022-09-04T14:37:16.912859Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n2.926509 0.001814 0.002209\n1.458984 6.866941 -0.145194\n1.455620 2.486637 7.791117\nCa Fe O\n2 4 8\ndirect\n0.381097 0.086793 0.150834 Ca\n0.612913 0.947338 0.826790 Ca\n0.587353 0.625218 0.199985 Fe\n0.159711 0.216916 0.463563 Fe\n0.842695 0.801743 0.512764 Fe\n0.406351 0.402947 0.784224 Fe\n0.839169 0.589022 0.732535 O\n0.438419 0.752135 0.370912 O\n0.562529 0.289539 0.585328 O\n0.149406 0.432014 0.269056 O\n0.066338 0.807692 0.059567 O\n0.769978 0.104757 0.355140 O\n0.933643 0.223844 0.908714 O\n0.217157 0.945657 0.619929 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.546991021553266,
"density_atomic": 0.08883637606272254,
"volume": 157.59310116517315,
"volume_molar": 6.778913128725663,
"formula_full": "Ca2 Fe4 O8",
"formula_reduced": "Ca(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.354513631428571,
"spacegroup": 8
},
{
"id": "jvasp-9964",
"created_at": "2022-09-04T14:37:17.375524Z",
"updated_at": "2022-09-04T14:37:17.375542Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n3.082061 0.000000 0.000000\n-1.541031 4.850193 -0.000000\n-0.000000 -0.000000 9.765646\nCa Fe O\n2 4 8\ndirect\n0.387240 0.774480 0.750000 Ca\n0.612760 0.225520 0.250000 Ca\n0.870502 0.741005 0.066188 Fe\n0.129498 0.258994 0.933812 Fe\n0.870502 0.741005 0.433812 Fe\n0.129498 0.258994 0.566188 Fe\n0.227831 0.455663 0.394585 O\n0.772168 0.544337 0.605415 O\n0.772168 0.544337 0.894586 O\n0.227831 0.455663 0.105415 O\n0.931353 0.862706 0.250000 O\n0.068647 0.137293 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.908627438317434,
"density_atomic": 0.09590181088882048,
"volume": 145.98264485568765,
"volume_molar": 6.279485970271721,
"formula_full": "Ca2 Fe4 O8",
"formula_reduced": "Ca(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3453364885714283,
"spacegroup": 63
},
{
"id": "jvasp-10060",
"created_at": "2022-09-04T14:38:16.742685Z",
"updated_at": "2022-09-04T14:38:16.742711Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n6.105349 -0.032995 -0.086058\n3.024100 5.303884 -0.086058\n2.972883 1.716396 4.854698\nCa Fe O\n2 4 8\ndirect\n0.125000 0.625000 0.625000 Ca\n0.625000 0.125000 0.625000 Ca\n0.988354 0.988351 0.011647 Fe\n0.261648 0.261647 0.238352 Fe\n0.625001 0.624999 0.124999 Fe\n0.625000 0.625000 0.625000 Fe\n0.403458 0.403458 0.330367 O\n0.415280 0.855842 0.364438 O\n0.403457 0.403458 0.862717 O\n0.855843 0.415280 0.364438 O\n0.394158 0.834720 0.885561 O\n0.834720 0.394158 0.885561 O\n0.846543 0.846541 0.387282 O\n0.846542 0.846542 0.919632 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.49234629175529,
"density_atomic": 0.08776876019474122,
"volume": 159.51005766672353,
"volume_molar": 6.861371570748045,
"formula_full": "Ca2 Fe4 O8",
"formula_reduced": "Ca(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.3600807742857137,
"spacegroup": 74
},
{
"id": "jvasp-10643",
"created_at": "2022-09-04T14:37:28.440653Z",
"updated_at": "2022-09-04T14:37:28.440669Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n6.306736 -0.221863 -0.156881\n2.961229 5.128999 -0.000000\n2.961229 1.709667 4.835666\nCa Fe O\n2 4 8\ndirect\n0.986208 0.004598 0.004597 Ca\n0.118731 0.627090 0.627090 Ca\n0.280907 0.239698 0.239698 Fe\n0.616045 0.126996 0.628480 Fe\n0.616046 0.628480 0.126996 Fe\n0.616045 0.628480 0.628480 Fe\n0.423570 0.362596 0.362596 O\n0.423570 0.362596 0.851238 O\n0.423570 0.851238 0.362596 O\n0.943787 0.352071 0.352071 O\n0.395454 0.868182 0.868183 O\n0.802023 0.439410 0.879285 O\n0.802023 0.879285 0.439410 O\n0.802023 0.879285 0.879285 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.445639061185693,
"density_atomic": 0.08685622241314876,
"volume": 161.18591864847906,
"volume_molar": 6.933459218793213,
"formula_full": "Ca2 Fe4 O8",
"formula_reduced": "Ca(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.36812506,
"spacegroup": 160
}
]
}