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=872",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=870",
"results": [
{
"id": "jvasp-35130",
"created_at": "2022-09-04T14:37:31.236383Z",
"updated_at": "2022-09-04T14:37:31.236393Z",
"structure_string": "Ca3 Zn1 Ge5 O14\n1.0\n-0.036230 -0.000000 -5.127211\n0.000000 -8.063721 -0.000000\n-6.985374 4.031860 0.050783\nCa Zn Ge O\n3 1 5 14\ndirect\n-0.000000 0.729640 0.000000 Ca\n-0.000033 0.898466 0.584464 Ca\n0.000034 0.314002 0.415535 Ca\n-0.000000 0.314091 0.000000 Zn\n0.499829 0.552309 0.238426 Ge\n0.500171 0.313882 0.761573 Ge\n0.477237 0.647325 0.666704 Ge\n0.522763 0.980621 0.333295 Ge\n0.500000 0.075746 0.000000 Ge\n0.741800 0.464610 0.918585 O\n0.258201 0.546024 0.081415 O\n0.184961 0.980755 0.333411 O\n0.815039 0.647344 0.666589 O\n0.258196 0.232685 0.150565 O\n0.741804 0.082121 0.849435 O\n0.688154 0.777218 0.321554 O\n0.311835 0.850726 0.858242 O\n0.311846 0.455663 0.678445 O\n0.311668 0.635448 0.463307 O\n0.258407 0.163397 0.768209 O\n0.741594 0.395188 0.231791 O\n0.688165 0.992482 0.141757 O\n0.688333 0.172141 0.536693 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O-Zn",
"density": 4.443313934010197,
"density_atomic": 0.07963411900770154,
"volume": 288.8209260879201,
"volume_molar": 7.562262049282657,
"formula_full": "Ca3 Zn1 Ge5 O14",
"formula_reduced": "Ca3ZnGe5O14",
"formula_anonymous": "AB3C5D14",
"energy_above_hull": 1.83328567,
"spacegroup": 150
},
{
"id": "jvasp-56267",
"created_at": "2022-09-04T14:37:40.190070Z",
"updated_at": "2022-09-04T14:37:40.190080Z",
"structure_string": "Ca3 Zn2 Cu2 P4\n1.0\n2.025100 -3.507576 -0.000000\n2.025100 3.507576 0.000000\n0.000000 -0.000000 14.622553\nCa Zn Cu P\n3 2 2 4\ndirect\n0.000000 0.000000 0.732655 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.267345 Ca\n0.333333 0.666667 0.436779 Zn\n0.666667 0.333333 0.563221 Zn\n0.333333 0.666667 0.865112 Cu\n0.666667 0.333333 0.134888 Cu\n0.333333 0.666667 0.133735 P\n0.666667 0.333333 0.866265 P\n0.333333 0.666667 0.611801 P\n0.666667 0.333333 0.388198 P\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Cu",
"P"
],
"chemical_system": "Ca-Cu-P-Zn",
"density": 4.013098611460859,
"density_atomic": 0.05295243330029292,
"volume": 207.7336075873807,
"volume_molar": 11.372736595216459,
"formula_full": "Ca3 Zn2 Cu2 P4",
"formula_reduced": "Ca3Zn2(CuP2)2",
"formula_anonymous": "A2B2C3D4",
"energy_above_hull": 0.6462877236363638,
"spacegroup": 164
},
{
"id": "jvasp-93218",
"created_at": "2022-09-04T14:36:09.133783Z",
"updated_at": "2022-09-04T14:36:09.133810Z",
"structure_string": "Ca3 Zn3\n1.0\n4.282177 0.000000 -0.000000\n-2.141087 3.708475 0.000000\n-0.000000 0.000000 10.783621\nCa Zn\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.333333 Ca\n0.333333 0.666668 0.666667 Ca\n0.333333 0.666668 0.166667 Zn\n0.000000 -0.000000 0.500000 Zn\n0.666667 0.333333 0.833333 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.068631279469757,
"density_atomic": 0.03503697993476348,
"volume": 171.24763638794212,
"volume_molar": 17.18795618575809,
"formula_full": "Ca3 Zn3",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.4340536363636363,
"spacegroup": 225
},
{
"id": "jvasp-93924",
"created_at": "2022-09-04T14:36:06.117011Z",
"updated_at": "2022-09-04T14:36:06.117032Z",
"structure_string": "Ca3 Zn3\n1.0\n5.164008 0.000000 -0.000000\n-2.582003 4.472162 0.000000\n0.000000 -0.000000 6.326365\nCa Zn\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.333333 Ca\n0.333333 0.666667 0.666667 Ca\n0.333333 0.666667 0.166667 Zn\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.833332 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.5967530050861733,
"density_atomic": 0.04106696158401929,
"volume": 146.10284687666854,
"volume_molar": 14.664198488800405,
"formula_full": "Ca3 Zn3",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.3486186363636364,
"spacegroup": 221
},
{
"id": "jvasp-79510",
"created_at": "2022-09-04T14:37:17.241142Z",
"updated_at": "2022-09-04T14:37:17.241174Z",
"structure_string": "Ca4\n1.0\n0.000000 -0.000000 -3.855611\n0.000000 -6.355880 -0.000000\n-6.678535 0.000000 0.000000\nCa\n4\ndirect\n0.500178 0.750000 0.333408 Ca\n0.499822 0.250000 0.666591 Ca\n0.000178 0.250000 0.166592 Ca\n-0.000178 0.750000 0.833408 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.626541032810615,
"density_atomic": 0.024440488684281485,
"volume": 163.66284863086787,
"volume_molar": 24.64001779094149,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.00617042,
"spacegroup": 194
},
{
"id": "jvasp-25105",
"created_at": "2022-09-04T14:37:50.762108Z",
"updated_at": "2022-09-04T14:37:50.762136Z",
"structure_string": "Ca4\n1.0\n-0.000000 0.000000 -6.496639\n-3.667652 -3.667652 -3.248319\n-3.667652 3.667652 -3.248319\nCa\n4\ndirect\n0.170282 0.159437 0.500000 Ca\n0.829719 0.840563 0.500000 Ca\n0.329719 0.500000 0.840563 Ca\n0.670282 0.500000 0.159437 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5230710247720427,
"density_atomic": 0.02288574305560254,
"volume": 174.78130337659195,
"volume_molar": 26.3139402787525,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.15389042,
"spacegroup": 140
},
{
"id": "jvasp-79636",
"created_at": "2022-09-04T14:37:06.019833Z",
"updated_at": "2022-09-04T14:37:06.019858Z",
"structure_string": "Ca4\n1.0\n-3.083911 -3.084213 0.000000\n-3.083911 3.084213 -0.000000\n0.000000 0.000000 -8.487319\nCa\n4\ndirect\n0.749986 0.250014 0.375013 Ca\n0.250014 0.749986 0.624987 Ca\n0.750013 0.249986 0.875013 Ca\n0.249986 0.750013 0.124987 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.6488016332416817,
"density_atomic": 0.024774977603998855,
"volume": 161.4532236491052,
"volume_molar": 24.307350974266807,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.01534042,
"spacegroup": 229
},
{
"id": "jvasp-99755",
"created_at": "2022-09-04T14:36:17.587716Z",
"updated_at": "2022-09-04T14:36:17.587740Z",
"structure_string": "Ca4\n1.0\n3.854942 0.000000 -0.000000\n-1.927471 3.338478 -0.000000\n-0.000000 0.000000 12.671182\nCa\n4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.632418973878389,
"density_atomic": 0.02452881092716125,
"volume": 163.07353878172378,
"volume_molar": 24.551295119371492,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy_above_hull": 0.00456042,
"spacegroup": 194
},
{
"id": "jvasp-19368",
"created_at": "2022-09-04T14:38:36.443046Z",
"updated_at": "2022-09-04T14:38:36.443062Z",
"structure_string": "Ca4 Ag2 Sb2 O12\n1.0\n0.000000 5.745107 0.077445\n7.648530 0.000000 0.000000\n0.000000 -1.309733 -5.964794\nCa Ag Sb O\n4 2 2 12\ndirect\n0.469271 0.750000 0.421357 Ca\n0.530729 0.250000 0.578642 Ca\n0.953893 0.750000 0.955090 Ca\n0.046108 0.250000 0.044909 Ca\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.346452 0.542471 0.669550 O\n0.598219 0.750000 0.073081 O\n0.653548 0.042471 0.330449 O\n0.096606 0.250000 0.441117 O\n0.121886 0.945620 0.231682 O\n0.878115 0.054380 0.768316 O\n0.121886 0.554380 0.231682 O\n0.346452 0.957529 0.669550 O\n0.903395 0.750000 0.558881 O\n0.653548 0.457529 0.330449 O\n0.878115 0.445620 0.768316 O\n0.401781 0.250000 0.926918 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ag",
"Sb",
"O"
],
"chemical_system": "Ag-Ca-O-Sb",
"density": 5.156870415895764,
"density_atomic": 0.07653248956785048,
"volume": 261.326922891602,
"volume_molar": 7.868737570154468,
"formula_full": "Ca4 Ag2 Sb2 O12",
"formula_reduced": "Ca2AgSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.5913455200000004,
"spacegroup": 11
},
{
"id": "jvasp-58146",
"created_at": "2022-09-04T14:37:45.692077Z",
"updated_at": "2022-09-04T14:37:45.692100Z",
"structure_string": "Ca4 Ag2 W2 O12\n1.0\n0.000000 5.587999 -0.030514\n5.966800 0.000000 0.000000\n0.000000 -5.474811 -7.621218\nCa Ag W O\n4 2 2 12\ndirect\n0.268522 0.068529 0.253043 Ca\n0.731478 0.568528 0.246957 Ca\n0.731478 0.931471 0.746957 Ca\n0.268522 0.431471 0.753043 Ca\n0.500000 0.000000 -0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.878961 0.946088 0.260234 O\n0.121039 0.446088 0.239765 O\n0.340056 0.337481 0.051277 O\n0.659943 0.837481 0.448722 O\n0.659944 0.662519 0.948722 O\n0.220601 0.776275 0.068431 O\n0.779399 0.223725 0.931569 O\n0.220601 0.723725 0.568431 O\n0.121039 0.053912 0.739766 O\n0.779399 0.276275 0.431568 O\n0.340057 0.162519 0.551277 O\n0.878961 0.553912 0.760234 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Ag",
"W",
"O"
],
"chemical_system": "Ag-Ca-O-W",
"density": 6.090782584808061,
"density_atomic": 0.07839845902165399,
"volume": 255.10705503122088,
"volume_molar": 7.681452971335393,
"formula_full": "Ca4 Ag2 W2 O12",
"formula_reduced": "Ca2AgWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3044029100000003,
"spacegroup": 14
},
{
"id": "jvasp-9559",
"created_at": "2022-09-04T14:37:15.756887Z",
"updated_at": "2022-09-04T14:37:15.756900Z",
"structure_string": "Ca4 Ag4 O10\n1.0\n0.000000 5.922810 -0.000660\n4.001923 0.000000 0.000000\n0.000000 -0.000961 -9.810323\nCa Ag O\n4 4 10\ndirect\n0.852594 0.500000 0.143340 Ca\n0.147478 0.500000 0.856687 Ca\n0.352551 0.500000 0.356676 Ca\n0.647384 0.500000 0.643353 Ca\n0.810520 0.000000 0.403412 Ag\n0.189412 0.000000 0.596601 Ag\n0.689486 0.000000 0.903404 Ag\n0.310581 0.000000 0.096612 Ag\n0.761233 0.500000 0.388914 O\n0.119616 0.000000 0.315078 O\n0.261292 0.500000 0.111098 O\n0.738771 0.500000 0.888921 O\n0.499933 0.000000 0.499971 O\n0.380395 0.000000 0.815062 O\n0.880277 0.000000 0.684889 O\n0.000068 0.000000 -0.000030 O\n0.619713 0.000000 0.184904 O\n0.238705 0.500000 0.611106 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"O"
],
"chemical_system": "Ag-Ca-O",
"density": 5.3685787932137705,
"density_atomic": 0.07740921522807304,
"volume": 232.530454506819,
"volume_molar": 7.779617377926892,
"formula_full": "Ca4 Ag4 O10",
"formula_reduced": "Ca2Ag2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.23487254,
"spacegroup": 55
},
{
"id": "jvasp-21669",
"created_at": "2022-09-04T14:38:35.237685Z",
"updated_at": "2022-09-04T14:38:35.237709Z",
"structure_string": "Ca4 Ag4 Sb4\n1.0\n4.588595 0.000000 0.000000\n0.000000 7.687705 0.000000\n0.000000 0.000000 8.493744\nCa Ag Sb\n4 4 4\ndirect\n0.749999 0.476903 0.805336 Ca\n0.250000 0.523096 0.194663 Ca\n0.250000 0.023097 0.305337 Ca\n0.749999 0.976903 0.694663 Ca\n0.749999 0.859776 0.064209 Ag\n0.749999 0.359777 0.435791 Ag\n0.250000 0.140223 0.935791 Ag\n0.250000 0.640223 0.564209 Ag\n0.749999 0.745703 0.385319 Sb\n0.250000 0.254296 0.614681 Sb\n0.749999 0.245704 0.114681 Sb\n0.250000 0.754296 0.885319 Sb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ca-Sb",
"density": 5.97894301574247,
"density_atomic": 0.040050287812363555,
"volume": 299.62331497392114,
"volume_molar": 15.036448147923075,
"formula_full": "Ca4 Ag4 Sb4",
"formula_reduced": "CaAgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0219079266666668,
"spacegroup": 62
}
]
}