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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=125",
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"results": [
{
"id": "jvasp-57380",
"created_at": "2022-09-04T14:37:09.536906Z",
"updated_at": "2022-09-04T14:37:09.536923Z",
"structure_string": "K4 Na4 Mn4 O8\n1.0\n6.687691 0.059956 0.000000\n-0.187991 6.685318 0.000000\n0.000000 0.000000 7.023171\nK Na Mn O\n4 4 4 8\ndirect\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.649379 0.649379 0.250000 Na\n0.350621 0.350622 0.250000 Na\n0.649379 0.649379 0.750000 Na\n0.350621 0.350622 0.750000 Na\n0.631258 0.164280 0.000000 Mn\n0.164279 0.631259 0.500000 Mn\n0.368742 0.835721 0.000000 Mn\n0.835721 0.368742 0.500000 Mn\n0.301341 0.698659 0.750000 O\n0.864290 0.690070 0.500000 O\n0.301341 0.698659 0.250000 O\n0.698659 0.301342 0.250000 O\n0.135710 0.309931 0.500000 O\n0.690069 0.864290 0.000000 O\n0.309931 0.135711 0.000000 O\n0.698659 0.301342 0.750000 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 314.08050676943583,
"volume_molar": 9.457185108688378,
"formula_full": "K4 Na4 Mn4 O8",
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"spacegroup": 66
},
{
"id": "jvasp-107528",
"created_at": "2022-09-04T14:36:57.156470Z",
"updated_at": "2022-09-04T14:36:57.156492Z",
"structure_string": "Rb1 Mn1 Cu1 S2\n1.0\n3.814921 -0.003908 -6.270920\n-0.303018 3.802870 -6.270920\n0.003612 0.003908 7.340167\nRb Mn Cu S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.249999 0.750000 0.500000 Mn\n0.749999 0.250000 0.499999 Cu\n0.647341 0.647341 -0.000001 S\n0.352658 0.352658 -0.000000 S\n",
"nsites": 5,
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"elements": [
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],
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"density_atomic": 0.04687484715433401,
"volume": 106.66701447660516,
"volume_molar": 12.84727551254148,
"formula_full": "Rb1 Mn1 Cu1 S2",
"formula_reduced": "RbMnCuS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.260165538275862,
"spacegroup": 119
},
{
"id": "jvasp-111242",
"created_at": "2022-09-04T14:38:49.106289Z",
"updated_at": "2022-09-04T14:38:49.106309Z",
"structure_string": "Li2 H4 I2 O2\n1.0\n4.344073 -0.000000 0.000000\n0.000000 5.566190 0.000000\n-0.000000 0.000000 6.320242\nLi H I O\n2 4 2 2\ndirect\n0.500000 -0.000000 0.500000 Li\n0.500000 0.000000 -0.000000 Li\n0.678416 0.345955 0.750000 H\n0.321583 0.345955 0.750000 H\n0.678416 0.654045 0.250000 H\n0.321583 0.654045 0.250000 H\n-0.000000 0.740769 0.750000 I\n-0.000000 0.259231 0.250000 I\n0.500000 0.234895 0.750000 O\n0.500000 0.765105 0.250000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"H",
"I",
"O"
],
"chemical_system": "H-I-Li-O",
"density": 3.3001659908690364,
"density_atomic": 0.065435157324214,
"volume": 152.8230451170558,
"volume_molar": 9.203218890667406,
"formula_full": "Li2 H4 I2 O2",
"formula_reduced": "LiH2IO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.4535219549999998,
"spacegroup": 51
},
{
"id": "jvasp-111332",
"created_at": "2022-09-04T14:38:48.944292Z",
"updated_at": "2022-09-04T14:38:48.944320Z",
"structure_string": "U1 Cu1 Si2 Ni1\n1.0\n3.704578 -0.005686 -4.217141\n-0.530341 3.666425 -4.217141\n0.004930 0.005686 5.613212\nU Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.749999 0.500000 Cu\n0.620556 0.620554 -0.000001 Si\n0.379444 0.379443 -0.000000 Si\n0.750000 0.249999 0.500000 Ni\n",
"nsites": 5,
"nelements": 4,
"elements": [
"U",
"Cu",
"Si",
"Ni"
],
"chemical_system": "Cu-Ni-Si-U",
"density": 9.050902386398969,
"density_atomic": 0.06544267902416627,
"volume": 76.40274014689452,
"volume_molar": 9.202161112286037,
"formula_full": "U1 Cu1 Si2 Ni1",
"formula_reduced": "UCuSi2Ni",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.65190121,
"spacegroup": 119
},
{
"id": "jvasp-102654",
"created_at": "2022-09-04T14:37:15.760316Z",
"updated_at": "2022-09-04T14:37:15.760333Z",
"structure_string": "Y1 Mn2 Si1 Ge1\n1.0\n3.677857 -0.020176 -4.677668\n-0.456186 3.649512 -4.677668\n0.017909 0.020176 5.950369\nY Mn Si Ge\n1 2 1 1\ndirect\n0.997336 0.997335 -0.000002 Y\n0.753902 0.253901 0.500000 Mn\n0.253901 0.753901 0.499999 Mn\n0.376840 0.376840 -0.000001 Si\n0.618020 0.618019 -0.000001 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Y",
"Mn",
"Si",
"Ge"
],
"chemical_system": "Ge-Mn-Si-Y",
"density": 6.177344295979087,
"density_atomic": 0.06210336024745325,
"volume": 80.51094143822985,
"volume_molar": 9.69696444122274,
"formula_full": "Y1 Mn2 Si1 Ge1",
"formula_reduced": "YMn2SiGe",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.155674896551724,
"spacegroup": 107
},
{
"id": "jvasp-57831",
"created_at": "2022-09-04T14:37:11.520246Z",
"updated_at": "2022-09-04T14:37:11.520267Z",
"structure_string": "Nd2 Cr2 S4 O2\n1.0\n3.699127 -0.000020 -0.000035\n-1.849497 5.750920 -0.008209\n-0.000200 -0.023281 7.922552\nNd Cr S O\n2 2 4 2\ndirect\n0.734714 0.469427 0.792160 Nd\n0.265293 0.530570 0.207841 Nd\n0.000004 0.999995 -0.000001 Cr\n0.499992 0.000008 0.500000 Cr\n0.864527 0.729069 0.470842 S\n0.544149 0.088297 0.198721 S\n0.455850 0.911695 0.801278 S\n0.135465 0.270953 0.529161 S\n0.165403 0.330797 0.939435 O\n0.834603 0.669192 0.060566 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"Cr",
"S",
"O"
],
"chemical_system": "Cr-Nd-O-S",
"density": 5.445866330658555,
"density_atomic": 0.05933362934263988,
"volume": 168.5384850175268,
"volume_molar": 10.149624802526976,
"formula_full": "Nd2 Cr2 S4 O2",
"formula_reduced": "NdCrS2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.28122848,
"spacegroup": 12
},
{
"id": "jvasp-111010",
"created_at": "2022-09-04T14:38:48.488080Z",
"updated_at": "2022-09-04T14:38:48.488109Z",
"structure_string": "Sb1 Pb1 Br1 O2\n1.0\n3.771619 0.012342 -5.990649\n-0.303684 3.759394 -5.990649\n-0.011347 -0.012342 7.079044\nSb Pb Br O\n1 1 1 2\ndirect\n0.328855 0.328854 -0.000000 Sb\n0.639504 0.639502 -0.000000 Pb\n0.998571 0.998568 -0.000001 Br\n0.754437 0.254436 0.499999 O\n0.254437 0.754436 0.499999 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sb",
"Pb",
"Br",
"O"
],
"chemical_system": "Br-O-Pb-Sb",
"density": 7.332116051608733,
"density_atomic": 0.05007797771404421,
"volume": 99.84428741414145,
"volume_molar": 12.025527057797124,
"formula_full": "Sb1 Pb1 Br1 O2",
"formula_reduced": "SbPbBrO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.140417605,
"spacegroup": 107
},
{
"id": "jvasp-108027",
"created_at": "2022-09-04T14:38:27.042767Z",
"updated_at": "2022-09-04T14:38:27.042786Z",
"structure_string": "Sm2 Fe4 Si2 C2\n1.0\n5.589361 -0.011117 0.000000\n-4.267923 3.609143 0.000000\n-0.000000 -0.000000 6.750169\nSm Fe Si C\n2 4 2 2\ndirect\n0.553228 0.446770 0.250000 Sm\n0.446771 0.553228 0.750000 Sm\n0.835138 0.164860 0.063596 Fe\n0.164861 0.835138 0.936404 Fe\n0.164861 0.835138 0.563596 Fe\n0.835138 0.164860 0.436404 Fe\n0.272252 0.727747 0.250000 Si\n0.727747 0.272251 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sm",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Sm",
"density": 7.38648803505092,
"density_atomic": 0.07361083919722414,
"volume": 135.84955842178607,
"volume_molar": 8.181051629998391,
"formula_full": "Sm2 Fe4 Si2 C2",
"formula_reduced": "SmFe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.635307695,
"spacegroup": 63
},
{
"id": "jvasp-106661",
"created_at": "2022-09-04T14:38:45.807236Z",
"updated_at": "2022-09-04T14:38:45.807262Z",
"structure_string": "Nd2 P2 Os4 C2\n1.0\n5.894141 -0.005473 0.000000\n-4.569614 3.722842 0.000000\n-0.000000 -0.000000 7.156184\nNd P Os C\n2 2 4 2\ndirect\n0.545653 0.454348 0.250000 Nd\n0.454348 0.545652 0.750000 Nd\n0.270206 0.729794 0.250000 P\n0.729794 0.270206 0.750000 P\n0.832787 0.167214 0.053125 Os\n0.167214 0.832786 0.946875 Os\n0.167214 0.832786 0.553124 Os\n0.832787 0.167214 0.446875 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"P",
"Os",
"C"
],
"chemical_system": "C-Nd-Os-P",
"density": 12.020050047548892,
"density_atomic": 0.06375564523643627,
"volume": 156.8488557039183,
"volume_molar": 9.445658870939251,
"formula_full": "Nd2 P2 Os4 C2",
"formula_reduced": "NdPOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.7127114,
"spacegroup": 63
},
{
"id": "jvasp-108727",
"created_at": "2022-09-04T14:38:27.874461Z",
"updated_at": "2022-09-04T14:38:27.874490Z",
"structure_string": "U1 Mn1 Fe1 Si2\n1.0\n3.710853 0.000000 1.476193\n-0.587236 3.664094 1.476193\n0.004868 0.005710 5.390030\nU Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.500000 Mn\n0.749999 0.250000 0.500000 Fe\n0.368875 0.368875 0.262249 Si\n0.631124 0.631124 0.737751 Si\n",
"nsites": 5,
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"elements": [
"U",
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-Mn-Si-U",
"density": 9.183858431508225,
"density_atomic": 0.06828248884396639,
"volume": 73.22521607883384,
"volume_molar": 8.819451168163052,
"formula_full": "U1 Mn1 Fe1 Si2",
"formula_reduced": "UMnFeSi2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.153647188275862,
"spacegroup": 119
},
{
"id": "jvasp-12132",
"created_at": "2022-09-04T14:37:04.979469Z",
"updated_at": "2022-09-04T14:37:04.979495Z",
"structure_string": "Mn4 Sb4 Se8 Br4\n1.0\n3.985118 -0.000000 0.000000\n-0.000000 9.939904 0.000000\n0.000000 0.000000 12.891269\nMn Sb Se Br\n4 4 8 4\ndirect\n0.750000 0.493849 0.762879 Mn\n0.750000 0.993849 0.737121 Mn\n0.250000 0.006151 0.262879 Mn\n0.250000 0.506150 0.237121 Mn\n0.250000 0.810182 0.964222 Sb\n0.750000 0.689817 0.464222 Sb\n0.250000 0.310182 0.535778 Sb\n0.750000 0.189818 0.035778 Sb\n0.750000 0.444791 0.381322 Se\n0.250000 0.055209 0.881322 Se\n0.250000 0.749018 0.322197 Se\n0.750000 0.944791 0.118678 Se\n0.750000 0.250981 0.677803 Se\n0.750000 0.750981 0.822197 Se\n0.250000 0.555208 0.618678 Se\n0.250000 0.249019 0.177803 Se\n0.250000 0.931470 0.610655 Br\n0.250000 0.431470 0.889345 Br\n0.750000 0.068530 0.389345 Br\n0.750000 0.568530 0.110655 Br\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Se",
"Br"
],
"chemical_system": "Br-Mn-Sb-Se",
"density": 5.391848420955235,
"density_atomic": 0.03916615599876873,
"volume": 510.64495582943454,
"volume_molar": 15.375879011944185,
"formula_full": "Mn4 Sb4 Se8 Br4",
"formula_reduced": "MnSbSe2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.7311308359425288,
"spacegroup": 62
},
{
"id": "jvasp-110968",
"created_at": "2022-09-04T14:38:38.400464Z",
"updated_at": "2022-09-04T14:38:38.400484Z",
"structure_string": "U1 Re1 Si2 Ru1\n1.0\n3.887755 -0.020268 -4.064101\n-0.640507 3.834684 -4.064101\n0.017255 0.020268 5.624167\nU Re Si Ru\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.249999 0.749999 0.499999 Re\n0.625687 0.625686 -0.000000 Si\n0.374313 0.374312 -0.000000 Si\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
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"elements": [
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"Ru"
],
"chemical_system": "Re-Ru-Si-U",
"density": 11.438020218927868,
"density_atomic": 0.05922966726048809,
"volume": 84.4171549708415,
"volume_molar": 10.167439795862824,
"formula_full": "U1 Re1 Si2 Ru1",
"formula_reduced": "UReSi2Ru",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.95529034,
"spacegroup": 119
}
]
}