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=-spacegroup&page=1225",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1223",
"results": [
{
"id": "jvasp-95728",
"created_at": "2022-09-04T14:36:16.182659Z",
"updated_at": "2022-09-04T14:36:16.182691Z",
"structure_string": "Th1 Mn4 Cu3 O12\n1.0\n6.015930 -0.000036 -2.126863\n-3.008040 5.209918 -2.126987\n0.000086 -0.000004 6.380831\nTh Mn Cu O\n1 4 3 12\ndirect\n-0.000001 -0.000002 -0.000002 Th\n-0.000001 -0.000001 0.500001 Mn\n0.500001 0.000001 0.000003 Mn\n0.500002 0.500000 0.500001 Mn\n-0.000003 0.499999 -0.000003 Mn\n0.500001 0.000001 0.500000 Cu\n0.500001 0.500001 0.000000 Cu\n0.000000 0.500001 0.500001 Cu\n0.524565 0.821934 0.702632 O\n0.880700 0.178067 0.702632 O\n0.475434 0.178067 0.297367 O\n0.178051 0.702640 0.880689 O\n0.702624 0.880681 0.178058 O\n0.702622 0.524564 0.821943 O\n0.178051 0.297362 0.475410 O\n0.821950 0.702638 0.524589 O\n0.119302 0.821933 0.297369 O\n0.297377 0.119321 0.821943 O\n0.297376 0.475435 0.178057 O\n0.821952 0.297361 0.119312 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Th",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-Th",
"density": 6.928241812660325,
"density_atomic": 0.10000430341396123,
"volume": 199.99139354244903,
"volume_molar": 6.021881613505916,
"formula_full": "Th1 Mn4 Cu3 O12",
"formula_reduced": "ThMn4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.9398183957758617,
"spacegroup": 204
},
{
"id": "jvasp-95157",
"created_at": "2022-09-04T14:36:17.359305Z",
"updated_at": "2022-09-04T14:36:17.359326Z",
"structure_string": "Sr1 Cu3 Ru4 O12\n1.0\n6.110276 0.000000 -2.160355\n-3.055151 5.291691 -2.160392\n-0.000009 -0.000062 6.481040\nSr Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000001 0.000000 0.500000 Ru\n0.499999 -0.000000 -0.000000 Ru\n0.500000 0.499999 0.500000 Ru\n0.000001 0.500001 0.000000 Ru\n0.690370 0.175829 0.866196 O\n0.485446 0.309626 0.175818 O\n0.866193 0.690370 0.175820 O\n0.175829 0.485459 0.309637 O\n0.175829 0.866194 0.690367 O\n0.824172 0.133807 0.309634 O\n0.309629 0.175825 0.485458 O\n0.309631 0.824171 0.133804 O\n0.824172 0.514541 0.690364 O\n0.690371 0.824175 0.514542 O\n0.133808 0.309630 0.824180 O\n0.514554 0.690374 0.824180 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Ru",
"O"
],
"chemical_system": "Cu-O-Ru-Sr",
"density": 6.929899854015034,
"density_atomic": 0.09544050910043182,
"volume": 209.55462401142523,
"volume_molar": 6.309837213528393,
"formula_full": "Sr1 Cu3 Ru4 O12",
"formula_reduced": "SrCu3(RuO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.786887583,
"spacegroup": 204
},
{
"id": "jvasp-1088",
"created_at": "2022-09-04T14:36:36.160475Z",
"updated_at": "2022-09-04T14:36:36.160486Z",
"structure_string": "Co4 Sb12\n1.0\n7.459820 0.000000 -2.637445\n-3.729910 6.460394 -2.637445\n0.000000 0.000000 7.912334\nCo Sb\n4 12\ndirect\n0.500000 0.500000 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.492062 0.159053 0.333010 Sb\n0.159053 0.666990 0.826043 Sb\n0.333009 0.173957 0.840947 Sb\n0.840947 0.666990 0.507938 Sb\n0.666990 0.826043 0.159053 Sb\n0.840947 0.333009 0.173957 Sb\n0.666990 0.507938 0.840947 Sb\n0.333009 0.492062 0.159053 Sb\n0.159053 0.333009 0.492062 Sb\n0.826043 0.159053 0.666991 Sb\n0.173956 0.840947 0.333010 Sb\n0.507938 0.840947 0.666991 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"Sb"
],
"chemical_system": "Co-Sb",
"density": 7.389265930951697,
"density_atomic": 0.04195927905037611,
"volume": 381.32209041986823,
"volume_molar": 14.352345646286839,
"formula_full": "Co4 Sb12",
"formula_reduced": "CoSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9868698,
"spacegroup": 204
},
{
"id": "jvasp-11369",
"created_at": "2022-09-04T14:36:39.836010Z",
"updated_at": "2022-09-04T14:36:39.836027Z",
"structure_string": "Nd1 Fe4 Sb12\n1.0\n7.513908 -0.000000 -2.656568\n-3.756954 6.507236 -2.656568\n0.000000 0.000000 7.969704\nNd Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 -0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.503929 0.837731 0.666197 Sb\n0.496072 0.162270 0.333802 Sb\n0.162270 0.666198 0.828467 Sb\n0.333803 0.171533 0.837730 Sb\n0.171534 0.837731 0.333802 Sb\n0.666198 0.828468 0.162269 Sb\n0.837731 0.333803 0.171533 Sb\n0.666198 0.503928 0.837730 Sb\n0.333803 0.496072 0.162269 Sb\n0.162270 0.333803 0.496072 Sb\n0.828467 0.162270 0.666197 Sb\n0.837731 0.666198 0.503928 Sb\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Sb"
],
"chemical_system": "Fe-Nd-Sb",
"density": 7.792860715895989,
"density_atomic": 0.04362588986839612,
"volume": 389.6768650744544,
"volume_molar": 13.804052543493484,
"formula_full": "Nd1 Fe4 Sb12",
"formula_reduced": "Nd(FeSb3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 2.546306276470588,
"spacegroup": 204
},
{
"id": "jvasp-53247",
"created_at": "2022-09-04T14:36:37.514146Z",
"updated_at": "2022-09-04T14:36:37.514165Z",
"structure_string": "Co4 As12\n1.0\n6.772762 -0.000000 -2.394533\n-3.386381 5.865384 -2.394533\n0.000000 0.000000 7.183598\nCo As\n4 12\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n-0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.848484 0.507836 0.659352 As\n0.189132 0.340648 0.848485 As\n0.507836 0.659351 0.848485 As\n0.659351 0.848484 0.507836 As\n0.151515 0.810867 0.659352 As\n0.340649 0.151515 0.492164 As\n0.810868 0.659351 0.151516 As\n0.848484 0.189132 0.340649 As\n0.151515 0.492164 0.340649 As\n0.492164 0.340648 0.151516 As\n0.659351 0.151515 0.810868 As\n0.340648 0.848484 0.189132 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"As"
],
"chemical_system": "As-Co",
"density": 6.603300628170035,
"density_atomic": 0.05606808166152695,
"volume": 285.3673520807999,
"volume_molar": 10.740764765869098,
"formula_full": "Co4 As12",
"formula_reduced": "CoAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4880640375000005,
"spacegroup": 204
},
{
"id": "jvasp-57951",
"created_at": "2022-09-04T14:36:47.422096Z",
"updated_at": "2022-09-04T14:36:47.422112Z",
"structure_string": "Y1 Cu3 Sn4 O12\n1.0\n6.733117 -0.009471 0.005272\n-2.235407 6.351200 -0.005611\n-2.253138 -3.167506 5.497751\nY Cu Sn O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 -0.000000 Cu\n-0.000001 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n-0.000000 -0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.167598 0.703277 0.870880 O\n0.535644 0.832380 0.703266 O\n0.296762 0.129149 0.832391 O\n0.832401 0.703284 0.535675 O\n0.703237 0.535626 0.832385 O\n0.129117 0.832383 0.296738 O\n0.832401 0.296723 0.129120 O\n0.464355 0.167619 0.296734 O\n0.296762 0.464373 0.167615 O\n0.870883 0.167617 0.703262 O\n0.703237 0.870851 0.167608 O\n0.167598 0.296716 0.464325 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"Cu",
"Sn",
"O"
],
"chemical_system": "Cu-O-Sn-Y",
"density": 6.687813100121406,
"density_atomic": 0.08511400165974349,
"volume": 234.9789648000939,
"volume_molar": 7.075382008326255,
"formula_full": "Y1 Cu3 Sn4 O12",
"formula_reduced": "YCu3(SnO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.95534828,
"spacegroup": 204
},
{
"id": "jvasp-49352",
"created_at": "2022-09-04T14:36:59.950781Z",
"updated_at": "2022-09-04T14:36:59.950804Z",
"structure_string": "Ca1 Cu3 Ge4 O12\n1.0\n5.973375 -0.000000 -2.111907\n-2.986687 5.173094 -2.111907\n-0.000000 -0.000000 6.335721\nCa Cu Ge O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.499999 Cu\n0.500000 0.500000 -0.000001 Cu\n0.500000 0.000000 -0.000000 Ge\n-0.000000 0.500000 -0.000001 Ge\n0.500000 0.500000 0.499999 Ge\n0.000000 0.000000 0.500000 Ge\n0.300646 0.118014 0.817368 O\n0.881987 0.182632 0.699354 O\n0.817368 0.300646 0.118013 O\n0.516723 0.817367 0.699353 O\n0.699354 0.881986 0.182631 O\n0.118013 0.817367 0.300645 O\n0.483277 0.182632 0.300645 O\n0.300646 0.483276 0.182632 O\n0.817368 0.699354 0.516722 O\n0.182632 0.699354 0.881985 O\n0.182632 0.300646 0.483276 O\n0.699354 0.516723 0.817367 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Ge",
"O"
],
"chemical_system": "Ca-Cu-Ge-O",
"density": 6.0497319220184105,
"density_atomic": 0.1021559816081972,
"volume": 195.77903990690214,
"volume_molar": 5.89504468088511,
"formula_full": "Ca1 Cu3 Ge4 O12",
"formula_reduced": "CaCu3(GeO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.8442918785,
"spacegroup": 204
},
{
"id": "jvasp-19112",
"created_at": "2022-09-04T14:37:01.828404Z",
"updated_at": "2022-09-04T14:37:01.828430Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.879712 0.000000 -2.078793\n-2.939856 5.091980 -2.078793\n0.000000 0.000000 6.236377\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 -0.000000 0.500000 Si\n0.500000 -0.000000 0.000000 Si\n0.758676 0.741574 0.500252 O\n0.258426 0.017103 0.758678 O\n0.500251 0.758677 0.741575 O\n0.741573 0.982897 0.241323 O\n0.758677 0.258426 0.017103 O\n0.741574 0.500251 0.758678 O\n0.258425 0.499749 0.241323 O\n0.241323 0.258426 0.499749 O\n0.982897 0.241323 0.741575 O\n0.017102 0.758677 0.258426 O\n0.499748 0.241323 0.258426 O\n0.241322 0.741574 0.982898 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.13234853039029,
"density_atomic": 0.1071161343540487,
"volume": 186.71323531798134,
"volume_molar": 5.622066924199435,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506967904,
"spacegroup": 204
},
{
"id": "jvasp-57946",
"created_at": "2022-09-04T14:37:02.576172Z",
"updated_at": "2022-09-04T14:37:02.576206Z",
"structure_string": "Y1 Ti4 Cu3 O12\n1.0\n6.091047 0.000025 -2.153567\n-3.045487 5.275045 -2.153524\n-0.000038 -0.000010 6.460600\nY Ti Cu O\n1 4 3 12\ndirect\n-0.000002 -0.000002 0.999997 Y\n0.500001 0.000003 0.999998 Ti\n0.999997 0.999999 0.499998 Ti\n0.000003 0.500002 0.000001 Ti\n0.499999 0.499998 0.500000 Ti\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000001 0.500001 0.500001 Cu\n0.704208 0.528311 0.824102 O\n0.175898 0.295783 0.471685 O\n0.528310 0.824099 0.704210 O\n0.704208 0.880105 0.175896 O\n0.119892 0.824101 0.295792 O\n0.175899 0.704215 0.880115 O\n0.295793 0.471689 0.175899 O\n0.824102 0.704217 0.528317 O\n0.880107 0.175898 0.704209 O\n0.824102 0.295786 0.119886 O\n0.471690 0.175900 0.295791 O\n0.295792 0.119895 0.824103 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Y",
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti-Y",
"density": 5.303651571735334,
"density_atomic": 0.09634724678936407,
"volume": 207.58247554000508,
"volume_molar": 6.250454435055838,
"formula_full": "Y1 Ti4 Cu3 O12",
"formula_reduced": "YTi4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7701076066666674,
"spacegroup": 204
},
{
"id": "jvasp-9109",
"created_at": "2022-09-04T14:37:05.739952Z",
"updated_at": "2022-09-04T14:37:05.739966Z",
"structure_string": "Co4 P12\n1.0\n6.341331 0.000000 -2.241999\n-3.170665 5.491753 -2.241999\n0.000000 0.000000 6.725997\nCo P\n4 12\ndirect\n0.500000 0.000000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n-0.000000 0.500000 -0.000000 Co\n0.499999 0.500000 0.500000 Co\n0.506997 0.854383 0.652614 P\n0.201768 0.854383 0.347385 P\n0.798231 0.145616 0.652615 P\n0.145616 0.347385 0.493002 P\n0.493001 0.145616 0.347385 P\n0.145616 0.652614 0.798231 P\n0.347385 0.201769 0.854384 P\n0.854383 0.652614 0.506998 P\n0.652614 0.798230 0.145616 P\n0.854383 0.347385 0.201769 P\n0.652614 0.506998 0.854384 P\n0.347385 0.493001 0.145616 P\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"P"
],
"chemical_system": "Co-P",
"density": 4.306144633169054,
"density_atomic": 0.06830805110801891,
"volume": 234.23300387678177,
"volume_molar": 8.816150749897535,
"formula_full": "Co4 P12",
"formula_reduced": "CoP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.92484185,
"spacegroup": 204
},
{
"id": "jvasp-10355",
"created_at": "2022-09-04T14:37:07.138792Z",
"updated_at": "2022-09-04T14:37:07.138813Z",
"structure_string": "Cu3 Ni4 O12\n1.0\n5.827678 0.000008 -2.060521\n-2.913781 5.046946 -2.060370\n-0.000132 -0.000045 6.181186\nCu Ni O\n3 4 12\ndirect\n0.500000 0.500000 0.000001 Cu\n0.999999 0.499999 0.500002 Cu\n0.500000 0.000002 0.500002 Cu\n0.999999 -0.000001 0.500002 Ni\n-0.000000 0.500001 0.000003 Ni\n0.499999 0.500001 0.500002 Ni\n0.499999 -0.000001 0.000001 Ni\n0.682814 0.497834 0.815020 O\n0.184975 0.317162 0.502131 O\n0.497912 0.815056 0.682862 O\n0.682829 0.867799 0.184978 O\n0.132197 0.815004 0.317195 O\n0.815021 0.682835 0.497865 O\n0.317184 0.502163 0.184981 O\n0.867804 0.185003 0.682801 O\n0.184996 0.682821 0.867812 O\n0.815007 0.317177 0.132191 O\n0.502095 0.184948 0.317143 O\n0.317177 0.132199 0.815017 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 5.639332102599491,
"density_atomic": 0.10451110856896448,
"volume": 181.7988562188328,
"volume_molar": 5.762201590299013,
"formula_full": "Cu3 Ni4 O12",
"formula_reduced": "Cu3(NiO3)4",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.075702260526316,
"spacegroup": 204
},
{
"id": "jvasp-10800",
"created_at": "2022-09-04T14:37:08.893827Z",
"updated_at": "2022-09-04T14:37:08.893848Z",
"structure_string": "Ti4 Cu3 O12\n1.0\n6.022723 -0.000000 -2.129354\n-3.011362 5.215832 -2.129354\n0.000000 -0.000000 6.388063\nTi Cu O\n4 3 12\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.684677 0.507441 0.822763 O\n0.177237 0.315323 0.492559 O\n0.507441 0.822763 0.684677 O\n0.684677 0.861914 0.177238 O\n0.138086 0.822763 0.315323 O\n0.822763 0.684677 0.507442 O\n0.315323 0.492559 0.177237 O\n0.861914 0.177237 0.684677 O\n0.177237 0.684677 0.861914 O\n0.822763 0.315323 0.138087 O\n0.492559 0.177237 0.315323 O\n0.315323 0.138086 0.822763 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti",
"density": 4.750617477280242,
"density_atomic": 0.09468210975962717,
"volume": 200.67148955843902,
"volume_molar": 6.360378719156789,
"formula_full": "Ti4 Cu3 O12",
"formula_reduced": "Ti4(CuO4)3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.733945088596491,
"spacegroup": 204
}
]
}