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=491",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=489",
"results": [
{
"id": "jvasp-29267",
"created_at": "2022-09-04T14:38:02.339312Z",
"updated_at": "2022-09-04T14:38:02.339338Z",
"structure_string": "Sc5 C1 Cl8\n1.0\n3.467314 0.000000 0.658189\n1.528008 8.811306 1.412445\n-0.004119 0.011528 9.483626\nSc C Cl\n5 1 8\ndirect\n0.837859 0.648347 0.675933 Sc\n0.162140 0.351653 0.324067 Sc\n0.486399 0.639596 0.387605 Sc\n0.513600 0.360404 0.612395 Sc\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 C\n0.033072 0.172980 0.760876 Cl\n0.966927 0.827020 0.239124 Cl\n0.329992 0.503823 0.836191 Cl\n0.670007 0.496177 0.163809 Cl\n0.702847 0.163098 0.431205 Cl\n0.297152 0.836903 0.568795 Cl\n0.367992 0.164718 0.099297 Cl\n0.632007 0.835282 0.900703 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"C",
"Cl"
],
"chemical_system": "C-Cl-Sc",
"density": 2.982784317906398,
"density_atomic": 0.04832274549030353,
"volume": 289.7186378371082,
"volume_molar": 12.462331556075197,
"formula_full": "Sc5 C1 Cl8",
"formula_reduced": "Sc5CCl8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.6125070564285715,
"spacegroup": 12
},
{
"id": "jvasp-46356",
"created_at": "2022-09-04T14:38:02.148916Z",
"updated_at": "2022-09-04T14:38:02.148946Z",
"structure_string": "Ho2 V2 O7\n1.0\n3.334441 4.697835 0.194191\n-3.334441 4.697835 -0.194191\n-1.257195 0.000000 5.008604\nHo V O\n2 2 7\ndirect\n0.311202 0.311203 0.500000 Ho\n0.688796 0.688797 0.500000 Ho\n0.243048 0.756951 0.902692 V\n0.756950 0.243049 0.097307 V\n0.068323 0.607352 0.710135 O\n0.392647 0.931676 0.710135 O\n0.418026 0.581973 0.223072 O\n0.581972 0.418027 0.776927 O\n0.000000 0.000000 0.000000 O\n0.607351 0.068323 0.289864 O\n0.931676 0.392648 0.289864 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ho",
"V",
"O"
],
"chemical_system": "Ho-O-V",
"density": 5.671132885102852,
"density_atomic": 0.06909117456333916,
"volume": 159.20991457332627,
"volume_molar": 8.716222872255875,
"formula_full": "Ho2 V2 O7",
"formula_reduced": "Ho2V2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8362376393939392,
"spacegroup": 12
},
{
"id": "jvasp-11233",
"created_at": "2022-09-04T14:38:02.509845Z",
"updated_at": "2022-09-04T14:38:02.509866Z",
"structure_string": "Mg2 V3 O8\n1.0\n4.566973 -0.046204 -1.512195\n-0.843268 5.011850 -2.699884\n-0.110809 -0.073183 6.032191\nMg V O\n2 3 8\ndirect\n0.665762 0.733389 0.466774 Mg\n0.334236 0.266614 0.533227 Mg\n0.499999 0.999999 0.000001 V\n0.999998 0.710499 0.000001 V\n0.999998 0.289503 0.000001 V\n0.083084 0.385160 0.770321 O\n0.916915 0.614841 0.229681 O\n0.090660 0.895940 0.791880 O\n0.909339 0.104060 0.208121 O\n0.399847 0.346512 0.230356 O\n0.399847 0.883844 0.230357 O\n0.600153 0.116156 0.769645 O\n0.600152 0.653489 0.769645 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 4.022689087166565,
"density_atomic": 0.0955978161729379,
"volume": 135.98636998655704,
"volume_molar": 6.299454319234506,
"formula_full": "Mg2 V3 O8",
"formula_reduced": "Mg2V3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.6905968230769237,
"spacegroup": 12
},
{
"id": "jvasp-36700",
"created_at": "2022-09-04T14:38:02.535082Z",
"updated_at": "2022-09-04T14:38:02.535101Z",
"structure_string": "Ba2 W2 N6\n1.0\n-2.107614 -3.143709 -1.070222\n-5.535313 3.145358 1.661532\n2.118089 3.121444 -6.112624\nBa W N\n2 2 6\ndirect\n0.394243 0.686803 0.788487 Ba\n0.605756 0.313196 0.211512 Ba\n0.160498 0.877515 0.320996 W\n0.839501 0.122484 0.679003 W\n0.852942 0.403234 0.705885 N\n0.147057 0.596765 0.294114 N\n0.967723 0.058724 0.935446 N\n0.689991 0.974594 0.379983 N\n0.310008 0.025405 0.620017 N\n0.032276 0.941275 0.064553 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"W",
"N"
],
"chemical_system": "Ba-N-W",
"density": 6.997218868830721,
"density_atomic": 0.05801174789962068,
"volume": 172.37887776288477,
"volume_molar": 10.380898659389262,
"formula_full": "Ba2 W2 N6",
"formula_reduced": "BaWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.773987144,
"spacegroup": 12
},
{
"id": "jvasp-36804",
"created_at": "2022-09-04T14:38:02.505440Z",
"updated_at": "2022-09-04T14:38:02.505450Z",
"structure_string": "Ag2 Pb2 O4\n1.0\n1.511700 3.053280 0.929305\n5.617187 -3.055817 0.902568\n0.008030 -0.004253 -6.709145\nAg Pb O\n2 2 4\ndirect\n0.749923 0.799614 0.499847 Ag\n0.250077 0.200386 0.500154 Ag\n0.500000 -0.000000 0.000000 Pb\n-0.000000 0.500000 -0.000000 Pb\n0.911449 0.828890 0.822898 O\n0.410847 0.262602 0.821694 O\n0.589153 0.737399 0.178307 O\n0.088552 0.171111 0.177103 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 7.889973111070668,
"density_atomic": 0.05476121749852643,
"volume": 146.08878993998394,
"volume_molar": 10.99709070595819,
"formula_full": "Ag2 Pb2 O4",
"formula_reduced": "AgPbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.01141877,
"spacegroup": 12
},
{
"id": "jvasp-32731",
"created_at": "2022-09-04T14:38:02.882480Z",
"updated_at": "2022-09-04T14:38:02.882512Z",
"structure_string": "Cr1 Br2\n1.0\n3.651849 -0.000000 0.000000\n-1.825924 3.566494 -0.265379\n0.000000 -0.042222 6.153173\nCr Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.648043 0.296084 0.244536 Br\n0.351958 0.703916 0.755463 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cr",
"Br"
],
"chemical_system": "Br-Cr",
"density": 4.390882588543748,
"density_atomic": 0.037453259428851825,
"volume": 80.0998376576265,
"volume_molar": 16.079083240912514,
"formula_full": "Cr1 Br2",
"formula_reduced": "CrBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1593018700000006,
"spacegroup": 12
},
{
"id": "jvasp-24941",
"created_at": "2022-09-04T14:38:03.189491Z",
"updated_at": "2022-09-04T14:38:03.189518Z",
"structure_string": "Rb4 Sb8 O22\n1.0\n7.284764 0.003438 -0.609254\n-0.235432 7.147468 -2.774853\n0.011304 -0.006171 10.585797\nRb Sb O\n4 8 22\ndirect\n0.745468 0.491887 0.983776 Rb\n0.005009 0.733438 0.466877 Rb\n0.254531 0.508113 0.016225 Rb\n0.994990 0.266562 0.533124 Rb\n0.435276 0.916667 0.348690 Sb\n0.902701 0.927767 0.855538 Sb\n0.618004 0.075692 0.151381 Sb\n0.381995 0.924309 0.848621 Sb\n0.435275 0.432027 0.348690 Sb\n0.564724 0.083334 0.651311 Sb\n0.097298 0.072233 0.144463 Sb\n0.564725 0.567973 0.651311 Sb\n0.430302 0.656347 0.824203 O\n0.430298 0.167852 0.824201 O\n0.332786 0.476240 0.528264 O\n0.345045 0.023914 0.047827 O\n0.645813 0.339938 0.679880 O\n0.812862 0.671445 0.741106 O\n0.332786 0.052026 0.528265 O\n-0.000000 0.171606 -0.000001 O\n0.187138 0.328556 0.258895 O\n0.492271 0.833551 0.667105 O\n0.507728 0.166449 0.332896 O\n0.569701 0.832149 0.175800 O\n0.000000 0.828394 0.000002 O\n0.812861 0.069652 0.741103 O\n0.354187 0.660063 0.320121 O\n0.654954 0.976087 0.952174 O\n0.569697 0.343653 0.175798 O\n0.667214 0.947974 0.471736 O\n0.132621 0.881091 0.762191 O\n0.667214 0.523761 0.471737 O\n0.187138 0.930348 0.258898 O\n0.867378 0.118910 0.237810 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 5.025638776046911,
"density_atomic": 0.061693752428252,
"volume": 551.1092884087573,
"volume_molar": 9.761346202767566,
"formula_full": "Rb4 Sb8 O22",
"formula_reduced": "Rb2Sb4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.194841347058824,
"spacegroup": 12
},
{
"id": "jvasp-12122",
"created_at": "2022-09-04T14:38:03.410142Z",
"updated_at": "2022-09-04T14:38:03.410165Z",
"structure_string": "Sc4 I4 O4\n1.0\n3.797550 -0.000016 -0.758280\n-0.085967 7.219522 -0.430264\n-0.004321 0.004902 9.862892\nSc I O\n4 4 4\ndirect\n0.299214 0.383914 0.598460 Sc\n0.699315 0.117457 0.398588 Sc\n0.700786 0.616084 0.401540 Sc\n0.300684 0.882541 0.601412 Sc\n0.101825 0.351775 0.203329 I\n0.416630 0.155916 0.833672 I\n0.583369 0.844083 0.166328 I\n0.898175 0.648224 0.796671 I\n0.244573 0.628059 0.489152 O\n0.755707 0.879912 0.511428 O\n0.755427 0.371940 0.510848 O\n0.244293 0.120086 0.488572 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"I",
"O"
],
"chemical_system": "I-O-Sc",
"density": 4.614783354725051,
"density_atomic": 0.04438024145369742,
"volume": 270.3905974130353,
"volume_molar": 13.569418648348258,
"formula_full": "Sc4 I4 O4",
"formula_reduced": "ScIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4839683416666671,
"spacegroup": 12
},
{
"id": "jvasp-29345",
"created_at": "2022-09-04T14:38:03.486720Z",
"updated_at": "2022-09-04T14:38:03.486744Z",
"structure_string": "Th2 Te4 I4\n1.0\n6.768960 -0.027545 3.607969\n2.458822 7.240247 1.310836\n-0.022130 -0.013587 8.194051\nTh Te I\n2 4 4\ndirect\n0.858130 0.000018 0.283716 Th\n0.141870 0.999983 0.716284 Th\n0.131972 0.654953 0.000018 Te\n0.868027 0.345047 0.999983 Te\n0.653858 0.121163 0.999957 Te\n0.346142 0.878838 0.000043 Te\n0.022363 0.255217 0.415926 I\n0.561662 0.744846 0.415844 I\n0.977636 0.744784 0.584074 I\n0.438337 0.255154 0.584157 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Te",
"I"
],
"chemical_system": "I-Te-Th",
"density": 6.11119769327916,
"density_atomic": 0.024831416046372606,
"volume": 402.7156558983598,
"volume_molar": 24.25210366075647,
"formula_full": "Th2 Te4 I4",
"formula_reduced": "Th(TeI)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7649967366666668,
"spacegroup": 12
},
{
"id": "jvasp-79549",
"created_at": "2022-09-04T14:38:03.495696Z",
"updated_at": "2022-09-04T14:38:03.495734Z",
"structure_string": "Na1 N3\n1.0\n2.548963 1.789685 -1.739835\n2.473674 -1.787409 -1.876021\n0.607973 -0.292739 -6.704586\nNa N\n1 3\ndirect\n0.874997 0.125002 -0.000003 Na\n0.875005 0.124988 0.500002 N\n0.692003 0.041224 0.723940 N\n0.057995 0.208780 0.276061 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.9223382286185597,
"density_atomic": 0.07122974731857915,
"volume": 56.156313205910585,
"volume_molar": 8.454530567216011,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.645524687500001,
"spacegroup": 12
},
{
"id": "jvasp-58258",
"created_at": "2022-09-04T14:38:03.760695Z",
"updated_at": "2022-09-04T14:38:03.760705Z",
"structure_string": "Na2 Y2 P2 O8 F2\n1.0\n5.537027 -0.002375 1.246109\n1.170458 5.411905 1.246109\n-0.001529 -0.001234 6.503067\nNa Y P O F\n2 2 2 8 2\ndirect\n0.704879 0.295122 0.500000 Na\n0.295121 0.704879 0.500000 Na\n0.282704 0.282704 0.117836 Y\n0.717296 0.717297 0.882165 Y\n0.153292 0.153292 0.723558 P\n0.846709 0.846708 0.276442 P\n0.018635 0.018635 0.274305 O\n0.981366 0.981366 0.725696 O\n0.258614 0.258615 0.491762 O\n0.741386 0.741386 0.508239 O\n0.369036 0.016862 0.846235 O\n0.630964 0.983138 0.153765 O\n0.983139 0.630964 0.153765 O\n0.016861 0.369037 0.846236 O\n0.480301 0.480301 0.808893 F\n0.519700 0.519699 0.191108 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Na",
"Y",
"P",
"O",
"F"
],
"chemical_system": "F-Na-O-P-Y",
"density": 3.848624150342518,
"density_atomic": 0.08209122058102634,
"volume": 194.9051297660698,
"volume_molar": 7.335913289358364,
"formula_full": "Na2 Y2 P2 O8 F2",
"formula_reduced": "NaYPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.7444017790624995,
"spacegroup": 12
},
{
"id": "jvasp-13917",
"created_at": "2022-09-04T14:38:03.782809Z",
"updated_at": "2022-09-04T14:38:03.782839Z",
"structure_string": "Na5 Zr2 F13\n1.0\n5.649853 0.000000 -0.000000\n-2.824927 5.868919 -0.579199\n-0.000000 0.398444 9.115571\nNa Zr F\n5 2 13\ndirect\n0.809224 0.618450 0.111887 Na\n0.662598 0.325196 0.578340 Na\n-0.000000 -0.000000 0.500000 Na\n0.337401 0.674803 0.421659 Na\n0.190775 0.381549 0.888113 Na\n0.081617 0.163236 0.219493 Zr\n0.918381 0.836764 0.780507 Zr\n0.835070 0.110891 0.730815 F\n0.164929 0.889109 0.269185 F\n0.638506 0.705211 0.606412 F\n0.361493 0.294788 0.393588 F\n0.933293 0.294788 0.393588 F\n0.406814 0.349503 0.110751 F\n0.057311 0.650497 0.889248 F\n0.593185 0.650497 0.889248 F\n0.942688 0.349503 0.110751 F\n0.000000 0.000000 0.000000 F\n0.724178 0.889109 0.269185 F\n0.275821 0.110891 0.730815 F\n0.066706 0.705211 0.606412 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zr",
"F"
],
"chemical_system": "F-Na-Zr",
"density": 2.977827903833399,
"density_atomic": 0.0658842267228229,
"volume": 303.56279484224126,
"volume_molar": 9.140489400194895,
"formula_full": "Na5 Zr2 F13",
"formula_reduced": "Na5Zr2F13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 0.0326268836249998,
"spacegroup": 12
}
]
}