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{
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"results": [
{
"id": "jvasp-21045",
"created_at": "2022-09-04T14:38:34.370810Z",
"updated_at": "2022-09-04T14:38:34.370834Z",
"structure_string": "Zn8 Se8 O24\n1.0\n6.261640 -0.000000 0.000000\n-0.000000 7.175826 0.000000\n0.000000 0.000000 12.139121\nZn Se O\n8 8 24\ndirect\n0.863043 0.393070 0.595069 Zn\n0.363043 0.606931 0.904931 Zn\n0.636957 0.893070 0.404931 Zn\n0.136957 0.106931 0.095069 Zn\n0.136957 0.606931 0.404931 Zn\n0.636957 0.393070 0.095069 Zn\n0.363043 0.106931 0.595069 Zn\n0.863043 0.893070 0.904931 Zn\n0.888778 0.450176 0.855554 Se\n0.388778 0.549825 0.644446 Se\n0.111222 0.049824 0.355554 Se\n0.611222 0.950176 0.144446 Se\n0.611222 0.450176 0.355554 Se\n0.388778 0.049824 0.855554 Se\n0.888778 0.950176 0.644446 Se\n0.111222 0.549825 0.144446 Se\n0.345673 0.539064 0.067602 O\n0.703419 0.038157 0.267348 O\n0.203419 0.961844 0.232652 O\n0.203419 0.461844 0.267348 O\n0.703419 0.538157 0.232652 O\n0.296581 0.961844 0.732652 O\n0.796581 0.038157 0.767348 O\n0.654327 0.960937 0.567602 O\n0.154327 0.039064 0.932398 O\n0.845673 0.460937 0.432398 O\n0.345673 0.039064 0.432398 O\n0.982922 0.849562 0.408533 O\n0.154327 0.539064 0.567602 O\n0.654327 0.460937 0.932398 O\n0.017078 0.150438 0.591467 O\n0.517078 0.849562 0.908533 O\n0.482922 0.650439 0.408533 O\n0.982922 0.349562 0.091467 O\n0.296581 0.461844 0.767348 O\n0.482922 0.150438 0.091467 O\n0.517078 0.349562 0.591467 O\n0.017078 0.650439 0.908533 O\n0.845673 0.960937 0.067602 O\n0.796581 0.538157 0.732652 O\n",
"nsites": 40,
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"volume": 545.4403152377478,
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"formula_full": "Zn8 Se8 O24",
"formula_reduced": "ZnSeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 61
},
{
"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-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,
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"elements": [
"Zn",
"Se",
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],
"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-44097",
"created_at": "2022-09-04T14:36:14.636174Z",
"updated_at": "2022-09-04T14:36:14.636202Z",
"structure_string": "Zn4 Se4 O16\n1.0\n4.943205 0.000000 0.000000\n0.000000 6.767342 0.000000\n0.000000 0.000000 9.151264\nZn Se O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.527876 0.750000 0.180957 Se\n0.027876 0.250000 0.319043 Se\n0.972123 0.750000 0.680957 Se\n0.472123 0.250000 0.819042 Se\n0.327721 0.458444 0.875017 O\n0.930400 0.750000 0.866036 O\n0.430401 0.250000 0.633963 O\n0.827720 0.541555 0.624983 O\n0.296516 0.750000 0.625396 O\n0.827720 0.958444 0.624983 O\n0.172279 0.458444 0.375017 O\n0.069599 0.250000 0.133963 O\n0.703483 0.250000 0.374603 O\n0.569598 0.750000 0.366037 O\n0.796515 0.250000 0.874603 O\n0.672278 0.541555 0.124983 O\n0.203484 0.750000 0.125396 O\n0.672278 0.958444 0.124983 O\n0.172279 0.041556 0.375017 O\n0.327721 0.041556 0.875017 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Se",
"O"
],
"chemical_system": "O-Se-Zn",
"density": 4.520946454781676,
"density_atomic": 0.07839771612684626,
"volume": 306.13136690319374,
"volume_molar": 7.681525760592658,
"formula_full": "Zn4 Se4 O16",
"formula_reduced": "ZnSeO4",
"formula_anonymous": "ABC4",
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"spacegroup": 62
},
{
"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": [
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"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-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": [
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"O"
],
"chemical_system": "O-Si-Sn-Zn",
"density": 4.106941650047569,
"density_atomic": 0.07354618182073425,
"volume": 271.9379783541879,
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"formula_full": "Zn2 Si4 Sn2 O12",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 15
},
{
"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,
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"elements": [
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"Sn",
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],
"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-78988",
"created_at": "2022-09-04T14:37:11.844838Z",
"updated_at": "2022-09-04T14:37:11.844855Z",
"structure_string": "Zn1 Si3\n1.0\n3.994014 0.000000 -0.000000\n-0.000000 3.994014 -0.000000\n0.000000 0.000000 3.994014\nZn Si\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.499999 0.499999 Si\n0.499999 0.000000 0.499999 Si\n0.499999 0.499999 0.000000 Si\n",
"nsites": 4,
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"elements": [
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"volume": 63.71310177186047,
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"formula_full": "Zn1 Si3",
"formula_reduced": "ZnSi3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"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,
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"O"
],
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"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-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": [
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"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-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": [
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"Si",
"As"
],
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"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-121244",
"created_at": "2022-09-04T14:38:55.490314Z",
"updated_at": "2022-09-04T14:38:55.490333Z",
"structure_string": "Zn1 Si1 N1\n1.0\n4.191707 -0.000000 -0.000000\n-2.095853 3.630125 0.000000\n0.000000 -0.000000 2.540282\nZn Si N\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Zn\n0.333334 0.666667 0.000000 Si\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
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"elements": [
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"N"
],
"chemical_system": "N-Si-Zn",
"density": 4.618149426851555,
"density_atomic": 0.0776116338482482,
"volume": 38.65399877891779,
"volume_molar": 7.759327386117035,
"formula_full": "Zn1 Si1 N1",
"formula_reduced": "ZnSiN",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 187
}
]
}