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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=123",
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"results": [
{
"id": "jvasp-100280",
"created_at": "2022-09-04T14:36:42.147396Z",
"updated_at": "2022-09-04T14:36:42.147416Z",
"structure_string": "Er2 Mn4 Si2 C2\n1.0\n5.590346 -0.005073 0.000000\n-4.384557 3.468091 -0.000000\n0.000000 -0.000000 6.963548\nEr Mn Si C\n2 4 2 2\ndirect\n0.542738 0.457262 0.250000 Er\n0.457262 0.542738 0.750000 Er\n0.832075 0.167926 0.060992 Mn\n0.167925 0.832074 0.939008 Mn\n0.167925 0.832074 0.560992 Mn\n0.832075 0.167926 0.439008 Mn\n0.264157 0.735842 0.250000 Si\n0.735843 0.264158 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"density": 7.81256958029276,
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"volume": 134.8531862094914,
"volume_molar": 8.12104869288048,
"formula_full": "Er2 Mn4 Si2 C2",
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{
"id": "jvasp-99544",
"created_at": "2022-09-04T14:36:40.039362Z",
"updated_at": "2022-09-04T14:36:40.039391Z",
"structure_string": "Tm2 Si2 Ru4 C2\n1.0\n5.904839 -0.012133 0.000000\n-4.710156 3.561137 0.000000\n-0.000000 -0.000000 7.113833\nTm Si Ru C\n2 2 4 2\ndirect\n0.545725 0.454276 0.250000 Tm\n0.454276 0.545726 0.750000 Tm\n0.267885 0.732116 0.250000 Si\n0.732116 0.267886 0.750000 Si\n0.837001 0.163000 0.055070 Ru\n0.163000 0.837002 0.944929 Ru\n0.163000 0.837002 0.555070 Ru\n0.837001 0.163000 0.444929 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"density": 9.153399995625538,
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"volume": 149.18271443643593,
"volume_molar": 8.983993052951012,
"formula_full": "Tm2 Si2 Ru4 C2",
"formula_reduced": "TmSiRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-100768",
"created_at": "2022-09-04T14:36:42.909384Z",
"updated_at": "2022-09-04T14:36:42.909409Z",
"structure_string": "Ho2 Re4 Si2 C2\n1.0\n5.821702 -0.009145 0.000000\n-4.487198 3.709091 0.000000\n-0.000000 -0.000000 7.286937\nHo Re Si C\n2 4 2 2\ndirect\n0.542302 0.457696 0.250000 Ho\n0.457696 0.542302 0.750000 Ho\n0.827089 0.172908 0.060641 Re\n0.172909 0.827090 0.939359 Re\n0.172909 0.827090 0.560642 Re\n0.827089 0.172908 0.439359 Re\n0.265201 0.734798 0.250000 Si\n0.734797 0.265200 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Re",
"Si",
"C"
],
"chemical_system": "C-Ho-Re-Si",
"density": 12.210964992869012,
"density_atomic": 0.06367422053088871,
"volume": 157.04942937069714,
"volume_molar": 9.457737699480164,
"formula_full": "Ho2 Re4 Si2 C2",
"formula_reduced": "HoRe2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 5.115238033333333,
"spacegroup": 63
},
{
"id": "jvasp-99968",
"created_at": "2022-09-04T14:36:34.919133Z",
"updated_at": "2022-09-04T14:36:34.919168Z",
"structure_string": "Li2 Nb2 O4 F2\n1.0\n4.706328 -0.005399 2.435144\n1.831871 4.335182 2.435144\n0.011046 0.007315 5.609363\nLi Nb O F\n2 2 4 2\ndirect\n0.727462 0.331676 0.676402 Li\n0.331676 0.727461 0.176403 Li\n0.493266 0.997956 0.520095 Nb\n0.997957 0.493265 0.020096 Nb\n0.621644 0.700534 0.315164 O\n0.241989 0.358308 0.276329 O\n0.358309 0.241989 0.776329 O\n0.700535 0.621644 0.815163 O\n0.921644 0.061522 0.278004 F\n0.061522 0.921644 0.778004 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Nb",
"O",
"F"
],
"chemical_system": "F-Li-Nb-O",
"density": 4.381600562416791,
"density_atomic": 0.08746291974933754,
"volume": 114.33416616617971,
"volume_molar": 6.885364423299638,
"formula_full": "Li2 Nb2 O4 F2",
"formula_reduced": "LiNbO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.7903473364999998,
"spacegroup": 9
},
{
"id": "jvasp-101133",
"created_at": "2022-09-04T14:36:44.963838Z",
"updated_at": "2022-09-04T14:36:44.963856Z",
"structure_string": "Nd1 Fe1 Co1 Si2\n1.0\n3.735849 0.009766 -4.272595\n-0.519572 3.699555 -4.272595\n-0.008468 -0.009766 5.675523\nNd Fe Co Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.499999 Fe\n0.250000 0.749999 0.499998 Co\n0.636913 0.636913 -0.000001 Si\n0.363088 0.363087 -0.000000 Si\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Nd-Si",
"density": 6.696441209686029,
"density_atomic": 0.06397214168646125,
"volume": 78.15902153949891,
"volume_molar": 9.413692587494687,
"formula_full": "Nd1 Fe1 Co1 Si2",
"formula_reduced": "NdFeCoSi2",
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"spacegroup": 119
},
{
"id": "jvasp-99438",
"created_at": "2022-09-04T14:36:30.965237Z",
"updated_at": "2022-09-04T14:36:30.965256Z",
"structure_string": "Tm2 Fe4 Si2 C2\n1.0\n5.534440 -0.004007 0.000000\n-4.305105 3.477947 0.000000\n0.000000 -0.000000 6.704080\nTm Fe Si C\n2 4 2 2\ndirect\n0.549117 0.450883 0.250000 Tm\n0.450884 0.549117 0.750000 Tm\n0.835093 0.164906 0.061122 Fe\n0.164907 0.835094 0.938878 Fe\n0.164907 0.835094 0.561122 Fe\n0.835093 0.164906 0.438878 Fe\n0.269550 0.730451 0.250000 Si\n0.730451 0.269548 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Tm",
"density": 8.261506539103479,
"density_atomic": 0.07756281442352672,
"volume": 128.9277609937624,
"volume_molar": 7.764211245760747,
"formula_full": "Tm2 Fe4 Si2 C2",
"formula_reduced": "TmFe2SiC",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"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-107711",
"created_at": "2022-09-04T14:37:02.478093Z",
"updated_at": "2022-09-04T14:37:02.478112Z",
"structure_string": "Y2 Si2 Ru4 C2\n1.0\n5.889930 -0.010613 0.000000\n-4.656549 3.606653 0.000000\n-0.000000 -0.000000 7.142093\nY Si Ru C\n2 2 4 2\ndirect\n0.547109 0.452891 0.250000 Y\n0.452890 0.547109 0.750000 Y\n0.269025 0.730974 0.250000 Si\n0.730974 0.269026 0.750000 Si\n0.836181 0.163820 0.056307 Ru\n0.163819 0.836180 0.943693 Ru\n0.163819 0.836180 0.556307 Ru\n0.836181 0.163820 0.443693 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
"Y",
"Si",
"Ru",
"C"
],
"chemical_system": "C-Ru-Si-Y",
"density": 7.265490834073714,
"density_atomic": 0.06606501425657371,
"volume": 151.36604619751463,
"volume_molar": 9.115476364860958,
"formula_full": "Y2 Si2 Ru4 C2",
"formula_reduced": "YSiRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-12029",
"created_at": "2022-09-04T14:37:06.843948Z",
"updated_at": "2022-09-04T14:37:06.843967Z",
"structure_string": "Mn2 Sb2 Se4 I2\n1.0\n4.059568 0.000000 -0.000000\n-2.029784 6.677579 -0.165566\n-0.000000 -0.027821 10.084324\nMn Sb Se I\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.708302 0.416601 0.313777 Sb\n0.291700 0.583400 0.686222 Sb\n0.071708 0.143414 0.257874 Se\n0.363552 0.727102 0.443064 Se\n0.928294 0.856586 0.742126 Se\n0.636450 0.272898 0.556935 Se\n0.635632 0.271263 0.926169 I\n0.364370 0.728738 0.073831 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.607329126367268,
"density_atomic": 0.036583399726772874,
"volume": 273.3480232752039,
"volume_molar": 16.461402726310343,
"formula_full": "Mn2 Sb2 Se4 I2",
"formula_reduced": "MnSbSe2I",
"formula_anonymous": "ABCD2",
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"spacegroup": 12
},
{
"id": "jvasp-51403",
"created_at": "2022-09-04T14:37:10.933867Z",
"updated_at": "2022-09-04T14:37:10.933887Z",
"structure_string": "Na4 H4 C4 N8\n1.0\n3.450025 0.000000 0.000000\n0.000000 6.408541 0.000000\n0.000000 0.000000 10.478696\nNa H C N\n4 4 4 8\ndirect\n0.766923 0.500000 0.250000 Na\n0.233076 0.000000 0.750000 Na\n0.233076 0.500000 0.750000 Na\n0.766923 0.000000 0.250000 Na\n0.820180 0.250000 0.911148 H\n0.179819 0.750000 0.088852 H\n0.820180 0.750000 0.588852 H\n0.179819 0.250000 0.411148 H\n0.805659 0.250000 0.548270 C\n0.194339 0.750000 0.451730 C\n0.805659 0.750000 0.951730 C\n0.194339 0.250000 0.048270 C\n0.295963 0.250000 0.157715 N\n0.704035 0.750000 0.842286 N\n0.295963 0.750000 0.342285 N\n0.704035 0.250000 0.657715 N\n0.113170 0.250000 0.929550 N\n0.886829 0.750000 0.070450 N\n0.113170 0.750000 0.570451 N\n0.886829 0.250000 0.429550 N\n",
"nsites": 20,
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"elements": [
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],
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"density": 1.8354746116486547,
"density_atomic": 0.08632594580568516,
"volume": 231.68005648057274,
"volume_molar": 6.976049557053796,
"formula_full": "Na4 H4 C4 N8",
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"spacegroup": 57
},
{
"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,
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"formula_full": "Rb1 Mn1 Cu1 S2",
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"formula_anonymous": "ABCD2",
"energy_above_hull": 1.260165538275862,
"spacegroup": 119
},
{
"id": "jvasp-12018",
"created_at": "2022-09-04T14:37:11.388883Z",
"updated_at": "2022-09-04T14:37:11.388904Z",
"structure_string": "Sr2 Sb2 Se4 F2\n1.0\n4.121697 0.000000 -0.000000\n-0.000000 4.121697 -0.000000\n-0.000000 0.000000 14.413476\nSr Sb Se F\n2 2 4 2\ndirect\n0.250000 0.250000 0.599433 Sr\n0.750001 0.750001 0.400567 Sr\n0.250000 0.250000 0.131813 Sb\n0.750001 0.750001 0.868188 Sb\n0.750001 0.750001 0.690537 Se\n0.750001 0.750001 0.108126 Se\n0.250000 0.250000 0.891875 Se\n0.250000 0.250000 0.309463 Se\n0.750001 0.250000 0.500000 F\n0.250000 0.750001 0.500000 F\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.040839380578791364,
"volume": 244.86169619313918,
"volume_molar": 14.745916012074405,
"formula_full": "Sr2 Sb2 Se4 F2",
"formula_reduced": "SrSbSe2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4190298851666667,
"spacegroup": 129
}
]
}