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=id&page=490",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=488",
"results": [
{
"id": "jvasp-108677",
"created_at": "2022-09-04T14:38:18.893454Z",
"updated_at": "2022-09-04T14:38:18.893475Z",
"structure_string": "Tm1 Sc1 Zn2\n1.0\n4.187969 -0.000000 2.417925\n1.395990 3.948455 2.417925\n-0.000000 -0.000000 4.835850\nTm Sc Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.499999 0.499999 Sc\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.749999 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Sc",
"Zn"
],
"chemical_system": "Sc-Tm-Zn",
"density": 7.158089783703013,
"density_atomic": 0.05002147789842256,
"volume": 79.96565011778952,
"volume_molar": 12.039110024355976,
"formula_full": "Tm1 Sc1 Zn2",
"formula_reduced": "TmScZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.099612575,
"spacegroup": 225
},
{
"id": "jvasp-108678",
"created_at": "2022-09-04T14:38:19.233321Z",
"updated_at": "2022-09-04T14:38:19.233349Z",
"structure_string": "Yb1 Ag2 Sn1\n1.0\n4.266001 -0.000000 2.462977\n1.422000 4.022025 2.462977\n-0.000000 -0.000000 4.925954\nYb Ag Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Ag\n0.750000 0.749999 0.750001 Ag\n0.500000 0.499999 0.500001 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sn-Yb",
"density": 9.970511414965921,
"density_atomic": 0.04732644911143346,
"volume": 84.51933485611224,
"volume_molar": 12.724683286127057,
"formula_full": "Yb1 Ag2 Sn1",
"formula_reduced": "YbAg2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108679",
"created_at": "2022-09-04T14:38:19.873138Z",
"updated_at": "2022-09-04T14:38:19.873160Z",
"structure_string": "Yb5 Mg1\n1.0\n6.826016 -0.018221 1.821543\n5.789752 3.615744 1.821543\n0.046320 0.013209 8.548661\nYb Mg\n5 1\ndirect\n0.002732 0.002732 0.021909 Yb\n0.279839 0.279839 0.945484 Yb\n0.661066 0.661065 0.671753 Yb\n0.953220 0.953218 0.585758 Yb\n0.320263 0.320262 0.338210 Yb\n0.616213 0.616212 0.270215 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 6.981715181013782,
"density_atomic": 0.028360630854794764,
"volume": 211.56087925969445,
"volume_molar": 21.23415657018741,
"formula_full": "Yb5 Mg1",
"formula_reduced": "Yb5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0008333333333333,
"spacegroup": 8
},
{
"id": "jvasp-10868",
"created_at": "2022-09-04T14:38:28.279547Z",
"updated_at": "2022-09-04T14:38:28.279577Z",
"structure_string": "Mg1 Sn1 B2 O6\n1.0\n4.314229 -0.009061 3.726025\n1.699843 3.965247 3.726025\n-0.013775 -0.009061 5.700494\nMg Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500001 0.499998 Sn\n0.751597 0.751598 0.751594 B\n0.248404 0.248404 0.248403 B\n0.750910 0.460236 0.042267 O\n0.042268 0.750911 0.460235 O\n0.539764 0.957733 0.249088 O\n0.249090 0.539765 0.957730 O\n0.957732 0.249090 0.539762 O\n0.460237 0.042269 0.750909 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mg",
"Sn",
"B",
"O"
],
"chemical_system": "B-Mg-O-Sn",
"density": 4.420831653313,
"density_atomic": 0.10214681043072263,
"volume": 97.89830889318014,
"volume_molar": 5.895573963206907,
"formula_full": "Mg1 Sn1 B2 O6",
"formula_reduced": "MgSn(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5037526916666666,
"spacegroup": 148
},
{
"id": "jvasp-108680",
"created_at": "2022-09-04T14:38:27.115768Z",
"updated_at": "2022-09-04T14:38:27.115791Z",
"structure_string": "Ba2 Ag2 Sb2\n1.0\n4.889992 0.000000 0.000000\n-2.444996 4.234858 0.000000\n-0.000000 -0.000000 9.250356\nBa Ag Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.250000 Ag\n0.666666 0.333334 0.750000 Ag\n0.333333 0.666667 0.750000 Sb\n0.666666 0.333334 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ba-Sb",
"density": 6.361897848476421,
"density_atomic": 0.031321734389516256,
"volume": 191.56027330364785,
"volume_molar": 19.22671549764396,
"formula_full": "Ba2 Ag2 Sb2",
"formula_reduced": "BaAgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0416031099999999,
"spacegroup": 194
},
{
"id": "jvasp-108681",
"created_at": "2022-09-04T14:38:27.949739Z",
"updated_at": "2022-09-04T14:38:27.949759Z",
"structure_string": "Er2 Co2 Si6\n1.0\n10.671216 0.007004 0.000000\n-9.952473 3.850089 0.000000\n0.000000 0.000000 3.945824\nEr Co Si\n2 2 6\ndirect\n0.668980 0.331019 0.500000 Er\n0.331020 0.668980 0.500000 Er\n0.890539 0.109460 -0.000000 Co\n0.109461 0.890539 -0.000000 Co\n0.943529 0.056470 0.500000 Si\n0.056471 0.943530 0.500000 Si\n0.784216 0.215783 -0.000000 Si\n0.215784 0.784217 -0.000000 Si\n0.556572 0.443427 -0.000000 Si\n0.443428 0.556572 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"Co",
"Si"
],
"chemical_system": "Co-Er-Si",
"density": 6.349072997759287,
"density_atomic": 0.06158024162613213,
"volume": 162.3897493081029,
"volume_molar": 9.779339283145081,
"formula_full": "Er2 Co2 Si6",
"formula_reduced": "ErCoSi3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.86923534,
"spacegroup": 65
},
{
"id": "jvasp-108682",
"created_at": "2022-09-04T14:38:28.120597Z",
"updated_at": "2022-09-04T14:38:28.120616Z",
"structure_string": "Ba2 Tm1 Mo1 O6\n1.0\n5.129834 0.000000 2.961711\n1.709945 4.836454 2.961711\n-0.000000 -0.000000 5.923423\nBa Tm Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.750000 Ba\n0.499999 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mo\n0.763637 0.236362 0.236362 O\n0.236361 0.763638 0.763638 O\n0.236361 0.763638 0.236362 O\n0.763637 0.236362 0.763638 O\n0.236361 0.236362 0.763638 O\n0.763637 0.763638 0.236362 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O-Tm",
"density": 7.180891251083461,
"density_atomic": 0.06804510357391419,
"volume": 146.96134585404033,
"volume_molar": 8.850219110120733,
"formula_full": "Ba2 Tm1 Mo1 O6",
"formula_reduced": "Ba2TmMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.241016309,
"spacegroup": 225
},
{
"id": "jvasp-108683",
"created_at": "2022-09-04T14:38:28.750369Z",
"updated_at": "2022-09-04T14:38:28.750389Z",
"structure_string": "Ba2 Nd1 Ta1 O6\n1.0\n5.306824 -0.000000 3.063896\n1.768941 5.003321 3.063896\n-0.000000 -0.000000 6.127792\nBa Nd Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.500000 0.500000 0.500001 Nd\n0.000000 0.000000 0.000000 Ta\n0.768521 0.231479 0.231480 O\n0.231478 0.768521 0.768522 O\n0.231478 0.768521 0.231480 O\n0.768521 0.231479 0.768522 O\n0.231479 0.231479 0.768521 O\n0.768521 0.768521 0.231480 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ta",
"O"
],
"chemical_system": "Ba-Nd-O-Ta",
"density": 7.1016881188488785,
"density_atomic": 0.06146146857164843,
"volume": 162.7035642394803,
"volume_molar": 9.798237660038527,
"formula_full": "Ba2 Nd1 Ta1 O6",
"formula_reduced": "Ba2NdTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.340490364,
"spacegroup": 225
},
{
"id": "jvasp-108687",
"created_at": "2022-09-04T14:38:16.378376Z",
"updated_at": "2022-09-04T14:38:16.378386Z",
"structure_string": "Ba1 Tm1 Fe1 Cu1 O5\n1.0\n3.870666 0.000000 0.000000\n0.000000 3.870666 0.000000\n-0.000000 -0.000000 7.627672\nBa Tm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.730460 Ba\n0.500000 0.500000 0.204011 Tm\n0.000000 0.000000 0.441192 Fe\n0.000000 0.000000 0.002950 Cu\n0.500000 0.000000 0.025372 O\n-0.000000 0.500000 0.025372 O\n0.500000 0.000000 0.387235 O\n-0.000000 0.500000 0.387235 O\n0.000000 0.000000 0.684173 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Tm",
"Fe",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Fe-O-Tm",
"density": 7.347422700320451,
"density_atomic": 0.07875517567970876,
"volume": 114.27820358883214,
"volume_molar": 7.646660309020937,
"formula_full": "Ba1 Tm1 Fe1 Cu1 O5",
"formula_reduced": "BaTmFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.8647692966666665,
"spacegroup": 99
},
{
"id": "jvasp-108688",
"created_at": "2022-09-04T14:38:16.909342Z",
"updated_at": "2022-09-04T14:38:16.909360Z",
"structure_string": "Ba2 Tm1 Ta1 O6\n1.0\n5.172694 -0.000000 2.986456\n1.724231 4.876863 2.986456\n-0.000000 -0.000000 5.972912\nBa Tm Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.500000 0.500000 0.500001 Tm\n0.000000 0.000000 0.000000 Ta\n0.762010 0.237989 0.237990 O\n0.237989 0.762010 0.762011 O\n0.237989 0.762010 0.237990 O\n0.762010 0.237989 0.762011 O\n0.237989 0.237989 0.762011 O\n0.762010 0.762010 0.237991 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Ta",
"O"
],
"chemical_system": "Ba-O-Ta-Tm",
"density": 7.940707640126971,
"density_atomic": 0.06636766533508799,
"volume": 150.67578390034296,
"volume_molar": 9.07390779771207,
"formula_full": "Ba2 Tm1 Ta1 O6",
"formula_reduced": "Ba2TmTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.291368639,
"spacegroup": 225
},
{
"id": "jvasp-108689",
"created_at": "2022-09-04T14:37:59.205382Z",
"updated_at": "2022-09-04T14:37:59.205403Z",
"structure_string": "Rb2 Na1 Cr1 Cl6\n1.0\n6.175113 -0.000000 3.565203\n2.058371 5.821953 3.565203\n-0.000000 -0.000000 7.130407\nRb Na Cr Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.766563 0.233436 0.233436 Cl\n0.233436 0.766563 0.766564 Cl\n0.233436 0.766563 0.233436 Cl\n0.766563 0.233436 0.766564 Cl\n0.233436 0.233436 0.766564 Cl\n0.766563 0.766563 0.233436 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Na-Rb",
"density": 2.970931232767638,
"density_atomic": 0.039009651974080774,
"volume": 256.3468140306484,
"volume_molar": 15.437565974701075,
"formula_full": "Rb2 Na1 Cr1 Cl6",
"formula_reduced": "Rb2NaCrCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1617650804999998,
"spacegroup": 225
},
{
"id": "jvasp-10869",
"created_at": "2022-09-04T14:38:28.553538Z",
"updated_at": "2022-09-04T14:38:28.553564Z",
"structure_string": "Zr2 Si2 O8\n1.0\n4.424897 0.000047 -1.795825\n-0.728744 4.364458 -1.795795\n-0.031082 -0.036660 6.272968\nZr Si O\n2 2 8\ndirect\n0.375000 0.125001 0.750000 Zr\n0.625002 0.875000 0.250000 Zr\n0.875002 0.625001 0.750000 Si\n0.125000 0.375001 0.249999 Si\n0.306522 0.454907 0.094439 O\n0.639534 0.806522 0.594439 O\n0.954907 0.287919 0.594439 O\n0.787920 0.139534 0.094440 O\n0.212082 0.860467 0.905559 O\n0.045095 0.712083 0.405560 O\n0.360469 0.193480 0.405561 O\n0.693480 0.545094 0.905561 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Si",
"O"
],
"chemical_system": "O-Si-Zr",
"density": 5.049469144596043,
"density_atomic": 0.09953334255752036,
"volume": 120.56261441300633,
"volume_molar": 6.0503752865727405,
"formula_full": "Zr2 Si2 O8",
"formula_reduced": "ZrSiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6098861833333338,
"spacegroup": 88
}
]
}