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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=103",
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"results": [
{
"id": "jvasp-112860",
"created_at": "2022-09-04T14:38:44.967265Z",
"updated_at": "2022-09-04T14:38:44.967292Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n6.627786 0.093817 1.602487\n0.173352 6.626183 1.602487\n-0.187077 -0.184846 5.381717\nZn Si Sn O\n2 4 2 12\ndirect\n0.602398 0.397602 0.250001 Zn\n0.397602 0.602397 0.750001 Zn\n0.871317 0.690901 0.776314 Si\n0.309099 0.128683 0.723689 Si\n0.690901 0.871317 0.276313 Si\n0.128683 0.309099 0.223688 Si\n0.786358 0.213641 0.750001 Sn\n0.213641 0.786358 0.250001 Sn\n0.898943 0.390137 0.307905 O\n0.609863 0.101057 0.192097 O\n0.522078 0.699240 0.358545 O\n0.300759 0.477922 0.141456 O\n0.477922 0.300759 0.641457 O\n0.149893 0.187374 0.981352 O\n0.850107 0.812626 0.018651 O\n0.187374 0.149893 0.481351 O\n0.101057 0.609862 0.692097 O\n0.812626 0.850106 0.518651 O\n0.699241 0.522077 0.858546 O\n0.390137 0.898942 0.807905 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
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"Sn",
"O"
],
"chemical_system": "O-Si-Sn-Zn",
"density": 4.650931134056854,
"density_atomic": 0.08328782241576219,
"volume": 240.13114306389897,
"volume_molar": 7.230517721952486,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1118670300000004,
"spacegroup": 15
},
{
"id": "jvasp-21313",
"created_at": "2022-09-04T14:37:06.008445Z",
"updated_at": "2022-09-04T14:37:06.008471Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Si-Sn-Zn",
"density": 4.106941650047569,
"density_atomic": 0.07354618182073425,
"volume": 271.9379783541879,
"volume_molar": 8.188243918193765,
"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1150660300000004,
"spacegroup": 15
},
{
"id": "jvasp-21357",
"created_at": "2022-09-04T14:37:14.310854Z",
"updated_at": "2022-09-04T14:37:14.310881Z",
"structure_string": "Zn2 Si4 Ni2 O12\n1.0\n5.168759 0.128755 1.203999\n1.446706 6.468679 0.532737\n0.186351 -0.104935 6.646416\nZn Si Ni O\n2 4 2 12\ndirect\n0.750000 0.239393 0.760609 Zn\n0.250001 0.760609 0.239393 Zn\n0.239977 0.217425 0.389330 Si\n0.260022 0.610671 0.782577 Si\n0.739977 0.389330 0.217425 Si\n0.760023 0.782577 0.610671 Si\n0.249999 0.096371 0.903632 Ni\n0.750000 0.903633 0.096369 Ni\n0.645897 0.960583 0.794533 O\n0.854104 0.205467 0.039419 O\n0.628140 0.623615 0.134386 O\n0.871860 0.865616 0.376386 O\n0.371860 0.376385 0.865615 O\n0.014549 0.610856 0.673118 O\n0.985450 0.389146 0.326883 O\n0.514551 0.673118 0.610857 O\n0.354103 0.039419 0.205468 O\n0.485451 0.326884 0.389144 O\n0.128140 0.134385 0.623615 O\n0.145897 0.794534 0.960582 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ni",
"O"
],
"chemical_system": "Ni-O-Si-Zn",
"density": 4.17710917185486,
"density_atomic": 0.0910528020489032,
"volume": 219.65276795389863,
"volume_molar": 6.613899434709973,
"formula_full": "Zn2 Si4 Ni2 O12",
"formula_reduced": "ZnSi2NiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1990271000000003,
"spacegroup": 15
},
{
"id": "jvasp-2376",
"created_at": "2022-09-04T14:36:55.765701Z",
"updated_at": "2022-09-04T14:36:55.765711Z",
"structure_string": "Zn2 Si2 P4\n1.0\n4.934051 0.000000 -2.266816\n-1.041427 4.822892 -2.266816\n0.012167 0.015075 6.529726\nZn Si P\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 -0.000001 Si\n0.750000 0.249999 0.499999 Si\n0.391923 0.375000 0.249999 P\n0.858076 0.874999 0.249999 P\n0.125000 0.608076 0.750000 P\n0.625000 0.141923 0.750000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Si",
"P"
],
"chemical_system": "P-Si-Zn",
"density": 3.315125139426038,
"density_atomic": 0.05137388132191951,
"volume": 155.72115234724671,
"volume_molar": 11.722183734306553,
"formula_full": "Zn2 Si2 P4",
"formula_reduced": "ZnSiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7885875,
"spacegroup": 122
},
{
"id": "jvasp-35191",
"created_at": "2022-09-04T14:37:35.880075Z",
"updated_at": "2022-09-04T14:37:35.880103Z",
"structure_string": "Zn2 Si2 O6\n1.0\n-2.402275 -4.160863 -0.000000\n-4.804551 0.000000 0.000000\n-2.402275 -1.386954 -4.638711\nZn Si O\n2 2 6\ndirect\n0.630816 0.630817 0.107550 Zn\n0.369183 0.369185 0.892450 Zn\n0.839905 0.839908 0.480282 Si\n0.160094 0.160095 0.519717 Si\n0.562571 0.953658 0.284805 O\n0.198967 0.562572 0.284805 O\n0.953656 0.198969 0.284805 O\n0.437428 0.046345 0.715195 O\n0.801032 0.437431 0.715195 O\n0.046343 0.801034 0.715195 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 5.06733465575665,
"density_atomic": 0.10783666784766437,
"volume": 92.73283568188991,
"volume_molar": 5.584501895502915,
"formula_full": "Zn2 Si2 O6",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4118558999999995,
"spacegroup": 148
},
{
"id": "jvasp-9498",
"created_at": "2022-09-04T14:38:10.040743Z",
"updated_at": "2022-09-04T14:38:10.040757Z",
"structure_string": "Zn2 Si2 Ni2 O10\n1.0\n5.066200 -0.236604 0.058118\n-1.353799 5.142135 -0.011580\n-1.676635 -2.311354 6.202952\nZn Si Ni O\n2 2 2 10\ndirect\n0.344044 0.197522 0.789458 Zn\n0.664438 0.792301 0.239638 Zn\n0.691100 0.810744 0.748488 Si\n0.317392 0.179102 0.280622 Si\n0.004249 0.494922 0.514555 Ni\n0.004251 0.494925 0.014554 Ni\n0.715263 0.641568 0.921038 O\n0.972635 0.840854 0.657608 O\n0.293234 0.348280 0.108074 O\n0.035860 0.148990 0.371504 O\n0.616349 0.295101 0.486741 O\n0.305115 0.861201 0.148821 O\n0.392150 0.694758 0.542371 O\n0.703386 0.128646 0.880289 O\n0.871412 0.535143 0.253490 O\n0.137100 0.454710 0.775618 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ni",
"O"
],
"chemical_system": "Ni-O-Si-Zn",
"density": 4.814903504382221,
"density_atomic": 0.09990667492753373,
"volume": 160.1494595992253,
"volume_molar": 6.027766177152926,
"formula_full": "Zn2 Si2 Ni2 O10",
"formula_reduced": "ZnSiNiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.9200948625,
"spacegroup": 2
},
{
"id": "jvasp-2256",
"created_at": "2022-09-04T14:36:54.714596Z",
"updated_at": "2022-09-04T14:36:54.714620Z",
"structure_string": "Zn2 Si2 As4\n1.0\n5.157559 0.000000 -2.360607\n-1.080446 5.043118 -2.360607\n0.008168 0.010104 6.832381\nZn Si As\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750000 0.499999 Zn\n0.500000 0.500000 -0.000001 Si\n0.750000 0.250000 0.499999 Si\n0.863066 0.875000 0.249999 As\n0.625000 0.136933 0.749999 As\n0.125000 0.613066 0.749999 As\n0.386933 0.375000 0.250000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Si",
"As"
],
"chemical_system": "As-Si-Zn",
"density": 4.541217019027277,
"density_atomic": 0.044954560053359086,
"volume": 177.95747507047898,
"volume_molar": 13.396062052107691,
"formula_full": "Zn2 Si2 As4",
"formula_reduced": "ZnSiAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4996356249999998,
"spacegroup": 122
},
{
"id": "jvasp-119031",
"created_at": "2022-09-04T14:38:32.957610Z",
"updated_at": "2022-09-04T14:38:32.957645Z",
"structure_string": "Zn2 Si2 Ag4 S8\n1.0\n6.589301 0.000000 0.000000\n-0.000000 5.050998 4.052081\n-0.000000 0.032740 10.203405\nZn Si Ag S\n2 2 4 8\ndirect\n0.686190 0.598741 0.679744 Zn\n0.313810 0.598741 0.179744 Zn\n0.816372 0.355685 0.425846 Si\n0.183627 0.355685 0.925846 Si\n0.679102 0.087708 0.174371 Ag\n0.320898 0.087708 0.674371 Ag\n0.848634 0.859051 0.919004 Ag\n0.151366 0.859051 0.419004 Ag\n0.872855 0.469327 0.915862 S\n0.127145 0.469327 0.415862 S\n0.682519 0.265631 0.648498 S\n0.317481 0.265631 0.148498 S\n0.800610 0.011480 0.438535 S\n0.199390 0.011480 0.938535 S\n0.660907 0.675720 0.200092 S\n0.339093 0.675720 0.700092 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ag",
"S"
],
"chemical_system": "Ag-S-Si-Zn",
"density": 4.2894916889572015,
"density_atomic": 0.047236498402462516,
"volume": 338.72112754161924,
"volume_molar": 12.74891442775965,
"formula_full": "Zn2 Si2 Ag4 S8",
"formula_reduced": "ZnSi(AgS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.18281919,
"spacegroup": 7
},
{
"id": "jvasp-98655",
"created_at": "2022-09-04T14:36:04.026744Z",
"updated_at": "2022-09-04T14:36:04.026763Z",
"structure_string": "Zn2 Si2 Ag4 O8\n1.0\n5.525459 0.000000 -0.074736\n0.000000 5.487073 0.000000\n-0.042900 0.000000 6.991418\nZn Si Ag O\n2 2 4 8\ndirect\n0.495836 0.808980 0.502225 Zn\n0.995836 0.191019 0.002225 Zn\n0.994392 0.687641 0.254411 Si\n0.494392 0.312359 0.754412 Si\n0.981304 0.199772 0.512347 Ag\n0.481304 0.800228 0.012347 Ag\n0.498569 0.298626 0.243674 Ag\n-0.001431 0.701373 0.743675 Ag\n0.201755 0.289983 0.790895 O\n0.701755 0.710017 0.290895 O\n0.146063 0.795250 0.441915 O\n0.646063 0.204750 0.941915 O\n0.571913 0.600406 0.723727 O\n0.562167 0.156290 0.559803 O\n0.071913 0.399594 0.223727 O\n0.062167 0.843710 0.059803 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-O-Si-Zn",
"density": 5.848110517154472,
"density_atomic": 0.07548865046803503,
"volume": 211.95239152904253,
"volume_molar": 7.977544601290786,
"formula_full": "Zn2 Si2 Ag4 O8",
"formula_reduced": "ZnSi(AgO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.35736094,
"spacegroup": 7
},
{
"id": "jvasp-46103",
"created_at": "2022-09-04T14:38:07.198404Z",
"updated_at": "2022-09-04T14:38:07.198427Z",
"structure_string": "Zn2 Se2 O8\n1.0\n4.848038 0.000000 0.000000\n0.000000 4.952747 0.000000\n0.000000 0.000000 6.010726\nZn Se O\n2 2 8\ndirect\n0.964665 0.068099 0.000000 Zn\n0.464665 0.931902 0.500000 Zn\n0.522217 0.651332 0.000000 Se\n0.022217 0.348669 0.500000 Se\n0.624641 0.334357 0.000000 O\n0.182325 0.685601 0.000000 O\n0.667115 0.824070 0.215669 O\n0.167114 0.175930 0.284332 O\n0.682325 0.314399 0.500000 O\n0.124641 0.665643 0.500000 O\n0.167114 0.175930 0.715669 O\n0.667115 0.824070 0.784332 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Se",
"O"
],
"chemical_system": "O-Se-Zn",
"density": 4.794773633511434,
"density_atomic": 0.08314615224317434,
"volume": 144.32417708162927,
"volume_molar": 7.242837578806146,
"formula_full": "Zn2 Se2 O8",
"formula_reduced": "ZnSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.593584627777778,
"spacegroup": 31
},
{
"id": "jvasp-49779",
"created_at": "2022-09-04T14:35:51.603083Z",
"updated_at": "2022-09-04T14:35:51.603108Z",
"structure_string": "Zn2 Se2 O8\n1.0\n2.774222 4.091991 0.000000\n-2.774222 4.091991 0.000000\n0.000000 0.000000 6.570057\nZn Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.353118 0.353118 0.250000 Se\n0.646882 0.646882 0.750000 Se\n0.277005 0.770334 0.750000 O\n0.229666 0.722995 0.250000 O\n0.246519 0.246519 0.035699 O\n0.246519 0.246519 0.464301 O\n0.753481 0.753481 0.535699 O\n0.753481 0.753481 0.964302 O\n0.722995 0.229666 0.250000 O\n0.770334 0.277005 0.750000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Se",
"O"
],
"chemical_system": "O-Se-Zn",
"density": 4.639083440856261,
"density_atomic": 0.0804463291752403,
"volume": 149.16777587029227,
"volume_molar": 7.485911192891931,
"formula_full": "Zn2 Se2 O8",
"formula_reduced": "ZnSeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5885362944444448,
"spacegroup": 63
},
{
"id": "jvasp-29593",
"created_at": "2022-09-04T14:36:42.837490Z",
"updated_at": "2022-09-04T14:36:42.837511Z",
"structure_string": "Zn2 Se2\n1.0\n4.132762 0.000000 0.000000\n0.000000 4.132762 0.000000\n-0.000000 0.000000 5.367541\nZn Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.275223 Se\n0.500000 0.000000 0.724776 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Se"
],
"chemical_system": "Se-Zn",
"density": 5.229942086177633,
"density_atomic": 0.04363187030525101,
"volume": 91.67610675443835,
"volume_molar": 13.802160480100364,
"formula_full": "Zn2 Se2",
"formula_reduced": "ZnSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.091815,
"spacegroup": 129
}
]
}