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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=208",
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"results": [
{
"id": "jvasp-101947",
"created_at": "2022-09-04T14:36:44.689260Z",
"updated_at": "2022-09-04T14:36:44.689279Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.473569 0.021861 0.823857\n1.527602 4.764562 1.136806\n0.071083 -0.114394 7.167955\nCd H C O\n1 4 4 4\ndirect\n0.666403 0.239554 0.728428 Cd\n0.133436 0.976990 0.250497 H\n0.604315 0.027150 0.170926 H\n0.415354 0.488125 0.205474 H\n0.851351 0.454251 0.286783 H\n0.497199 0.880897 0.469929 C\n0.452357 0.879723 0.264649 C\n0.639198 0.595189 0.192481 C\n0.886264 0.599011 0.987773 C\n0.335032 0.124274 0.532176 O\n0.705093 0.668224 0.564289 O\n-0.029147 0.814126 0.896627 O\n0.031395 0.357284 0.923313 O\n",
"nsites": 13,
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"elements": [
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],
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"density": 3.2038670359468435,
"density_atomic": 0.10977780487412098,
"volume": 118.42102340183175,
"volume_molar": 5.48575439899296,
"formula_full": "Cd1 H4 C4 O4",
"formula_reduced": "CdH4(CO)4",
"formula_anonymous": "AB4C4D4",
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"spacegroup": 5
},
{
"id": "jvasp-11529",
"created_at": "2022-09-04T14:36:45.261853Z",
"updated_at": "2022-09-04T14:36:45.261887Z",
"structure_string": "Mg4 Sn2 N4\n1.0\n4.073079 -0.003074 0.003305\n-2.032369 5.294188 -0.119999\n-0.007085 -2.249955 6.657423\nMg Sn N\n4 2 4\ndirect\n0.320835 0.666826 0.478329 Mg\n0.654399 0.333931 0.520121 Mg\n0.980886 0.982464 0.295911 Mg\n0.998765 0.018276 0.702553 Mg\n0.725433 0.338965 0.078355 Sn\n0.386847 0.661751 0.920095 Sn\n0.820852 0.669334 0.411984 N\n0.151875 0.331411 0.586473 N\n0.468213 0.967361 0.779465 N\n0.501256 0.033363 0.218999 N\n",
"nsites": 10,
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"elements": [
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"N"
],
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"density_atomic": 0.07020881639492936,
"volume": 142.43225443011772,
"volume_molar": 8.577470849423026,
"formula_full": "Mg4 Sn2 N4",
"formula_reduced": "Mg2SnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.82136526,
"spacegroup": 5
},
{
"id": "jvasp-101209",
"created_at": "2022-09-04T14:36:48.313493Z",
"updated_at": "2022-09-04T14:36:48.313520Z",
"structure_string": "Cr1 Cu1 P2 Se6\n1.0\n6.203995 -0.003477 0.882800\n-3.289466 5.260130 0.882800\n0.035816 0.064598 6.935609\nCr Cu P Se\n1 1 2 6\ndirect\n0.331542 0.668457 0.000000 Cr\n0.675528 0.324471 0.000000 Cu\n0.052676 0.054251 0.832467 P\n0.945747 0.947324 0.167533 P\n0.096613 0.437753 0.752552 Se\n0.418131 0.063805 0.750679 Se\n0.936194 0.581868 0.249322 Se\n0.562246 0.903387 0.247449 Se\n0.721051 0.739733 0.754283 Se\n0.260267 0.278949 0.245717 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Cu",
"P",
"Se"
],
"chemical_system": "Cr-Cu-P-Se",
"density": 4.794651693011439,
"density_atomic": 0.04433640548323058,
"volume": 225.54828004228517,
"volume_molar": 13.582834905905402,
"formula_full": "Cr1 Cu1 P2 Se6",
"formula_reduced": "CrCu(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.214899905,
"spacegroup": 5
},
{
"id": "jvasp-103875",
"created_at": "2022-09-04T14:36:48.374884Z",
"updated_at": "2022-09-04T14:36:48.374894Z",
"structure_string": "Sn1 H2 C2 O6\n1.0\n4.444292 0.062857 1.928997\n1.397873 4.774620 2.768152\n0.192800 0.142391 5.685534\nSn H C O\n1 2 2 6\ndirect\n0.522899 0.081687 0.666418 Sn\n-0.004961 0.689441 0.598643 H\n0.051160 0.149764 0.058737 H\n0.436220 0.532982 0.118260 C\n0.609569 0.629643 0.215328 C\n0.944717 0.893092 0.469352 O\n0.101176 0.278905 0.854998 O\n0.370138 0.694479 0.881984 O\n0.369815 0.296600 0.282722 O\n0.675630 0.865776 0.053988 O\n0.675992 0.465021 0.451844 O\n",
"nsites": 11,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 3.4157269979346934,
"density_atomic": 0.09398787816587274,
"volume": 117.03636910056483,
"volume_molar": 6.407358988753781,
"formula_full": "Sn1 H2 C2 O6",
"formula_reduced": "SnH2(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.4237866090909086,
"spacegroup": 5
},
{
"id": "jvasp-105503",
"created_at": "2022-09-04T14:36:48.661201Z",
"updated_at": "2022-09-04T14:36:48.661221Z",
"structure_string": "Ga2 Ag2 Te1 Se3\n1.0\n6.468860 0.000764 2.990757\n3.611740 5.366701 2.990757\n-0.014681 -0.007817 6.196890\nGa Ag Te Se\n2 2 1 3\ndirect\n0.742942 0.512431 0.613449 Ga\n0.487568 0.257058 0.386552 Ga\n0.271157 0.994674 0.127215 Ag\n0.005326 0.728843 0.872786 Ag\n0.857393 0.142607 0.000001 Te\n0.394702 0.605298 0.500001 Se\n0.120029 0.379112 0.281731 Se\n0.620888 0.879971 0.718271 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Ag",
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"Se"
],
"chemical_system": "Ag-Ga-Se-Te",
"density": 5.547450204164471,
"density_atomic": 0.037136886406864224,
"volume": 215.41924415400948,
"volume_molar": 16.216062633853152,
"formula_full": "Ga2 Ag2 Te1 Se3",
"formula_reduced": "Ga2Ag2TeSe3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.4853858795833333,
"spacegroup": 5
},
{
"id": "jvasp-48356",
"created_at": "2022-09-04T14:36:49.014812Z",
"updated_at": "2022-09-04T14:36:49.014829Z",
"structure_string": "Cr4 Cu1 O12\n1.0\n6.665514 -0.044709 -0.064578\n-0.754266 6.622850 0.064578\n-1.448558 1.301703 5.406761\nCr Cu O\n4 1 12\ndirect\n0.199539 0.608319 0.761348 Cr\n0.390886 0.796031 0.271335 Cr\n0.608319 0.199539 0.738652 Cr\n0.796030 0.390887 0.228665 Cr\n0.918859 0.918860 0.250000 Cu\n0.778678 0.024439 0.879846 O\n0.654328 0.353711 0.454350 O\n0.625853 0.907450 0.312213 O\n0.629799 0.358120 0.947687 O\n0.353710 0.654329 0.045650 O\n0.358120 0.629800 0.552312 O\n0.907450 0.625854 0.187787 O\n0.216212 0.966306 0.192713 O\n0.090061 0.379488 0.806016 O\n0.024439 0.778678 0.620154 O\n0.379488 0.090061 0.693983 O\n0.966305 0.216213 0.307287 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Cu",
"O"
],
"chemical_system": "Cr-Cu-O",
"density": 3.242401884698804,
"density_atomic": 0.07161354803107732,
"volume": 237.38524996167908,
"volume_molar": 8.409219938923624,
"formula_full": "Cr4 Cu1 O12",
"formula_reduced": "Cr4CuO12",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.413198944117647,
"spacegroup": 5
},
{
"id": "jvasp-42686",
"created_at": "2022-09-04T14:36:49.421057Z",
"updated_at": "2022-09-04T14:36:49.421091Z",
"structure_string": "Li8 Fe4 O8 F4\n1.0\n4.951684 -0.000000 -0.012173\n-2.475842 4.297406 0.006086\n-1.613461 0.000000 9.492158\nLi Fe O F\n8 4 8 4\ndirect\n0.165742 0.821862 0.498511 Li\n0.006780 0.493092 0.998166 Li\n0.089732 0.179462 0.250000 Li\n0.656122 0.821862 0.001490 Li\n0.486312 0.493092 0.501834 Li\n0.336502 0.190653 0.004067 Li\n0.742677 0.485354 0.250000 Li\n0.854150 0.190653 0.495934 Li\n0.583775 0.167547 0.750000 Fe\n0.917829 0.835657 0.750001 Fe\n0.250994 0.501986 0.750000 Fe\n0.387825 0.775650 0.250001 Fe\n0.286480 0.835544 0.858295 O\n0.129630 0.508156 0.375414 O\n0.214982 0.167843 0.641053 O\n0.549064 0.835544 0.641707 O\n0.378526 0.508156 0.124587 O\n0.621569 0.501707 0.858594 O\n0.880139 0.501707 0.641408 O\n0.952860 0.167843 0.858947 O\n0.802699 0.842078 0.378988 F\n0.039380 0.842078 0.121013 F\n0.464221 0.166244 0.376374 F\n0.702022 0.166244 0.123626 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.9715559550348467,
"density_atomic": 0.11886896763896658,
"volume": 201.90299013022243,
"volume_molar": 5.066200943454542,
"formula_full": "Li8 Fe4 O8 F4",
"formula_reduced": "Li2FeO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.395287130416667,
"spacegroup": 5
},
{
"id": "jvasp-8341",
"created_at": "2022-09-04T14:36:49.971864Z",
"updated_at": "2022-09-04T14:36:49.971896Z",
"structure_string": "Zn1 Sn2 N2\n1.0\n3.382296 -0.043614 0.150166\n-0.041003 3.382594 0.147126\n0.365966 0.373376 7.710577\nZn Sn N\n1 2 2\ndirect\n0.014124 0.985890 0.750005 Zn\n0.357573 0.411025 0.066913 Sn\n0.588845 0.642573 0.433086 Sn\n0.051327 0.511918 0.597424 N\n0.488137 0.948593 0.902575 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"N"
],
"chemical_system": "N-Sn-Zn",
"density": 6.255280507142667,
"density_atomic": 0.05693070132533699,
"volume": 87.82607422007555,
"volume_molar": 10.578019627030043,
"formula_full": "Zn1 Sn2 N2",
"formula_reduced": "Zn(SnN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.0648500599999995,
"spacegroup": 5
},
{
"id": "jvasp-104115",
"created_at": "2022-09-04T14:36:50.417310Z",
"updated_at": "2022-09-04T14:36:50.417335Z",
"structure_string": "H8 C15 S3\n1.0\n3.888695 0.008774 0.648028\n1.930749 6.108819 0.308471\n0.100997 0.024903 11.983899\nH C S\n8 15 3\ndirect\n0.654440 0.152985 0.548249 H\n0.127851 0.856438 0.229818 H\n0.534981 0.765094 0.874971 H\n0.566872 0.765293 0.041943 H\n0.882537 0.856223 0.687064 H\n0.699376 0.860570 0.367711 H\n0.306606 0.860530 0.549154 H\n0.060234 0.153038 0.368587 H\n0.892604 0.309128 0.407324 C\n0.665679 0.309102 0.509514 C\n0.913387 0.506666 0.353269 C\n0.447064 0.506614 0.563579 C\n0.694091 0.704484 0.407411 C\n0.468217 0.704459 0.509446 C\n0.778691 0.310117 0.958441 C\n0.553506 0.425394 0.057785 C\n0.146578 0.511127 0.246092 C\n0.209470 0.511037 0.670765 C\n0.762261 0.644032 0.827192 C\n0.229162 0.692503 0.193804 C\n0.945382 0.692346 0.723075 C\n0.460763 0.644173 0.089704 C\n0.888514 0.425336 0.859098 C\n0.363462 0.277270 0.163887 S\n0.916230 0.035208 0.958433 S\n0.226718 0.277241 0.752964 S\n",
"nsites": 26,
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"elements": [
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],
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"density_atomic": 0.09152343268940087,
"volume": 284.0802539414696,
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"formula_full": "H8 C15 S3",
"formula_reduced": "H8(C5S)3",
"formula_anonymous": "A3B8C15",
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},
{
"id": "jvasp-102832",
"created_at": "2022-09-04T14:36:51.797944Z",
"updated_at": "2022-09-04T14:36:51.797966Z",
"structure_string": "Ni1 P2 O7\n1.0\n4.952950 -0.006706 -0.717181\n1.062716 4.837601 0.717180\n-0.019975 0.024874 4.368609\nNi P O\n1 2 7\ndirect\n0.110505 0.110505 0.000000 Ni\n0.259622 0.671398 0.592378 P\n0.671400 0.259619 0.407623 P\n0.809913 0.058148 0.723082 O\n0.131233 0.443084 0.731292 O\n0.864289 0.345254 0.184269 O\n0.345257 0.864287 0.815732 O\n0.550991 0.550988 0.500000 O\n0.058150 0.809912 0.276918 O\n0.443085 0.131231 0.268709 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.695675584076107,
"density_atomic": 0.09566795042339354,
"volume": 104.52821405437693,
"volume_molar": 6.294836184268682,
"formula_full": "Ni1 P2 O7",
"formula_reduced": "NiP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.69251079,
"spacegroup": 5
},
{
"id": "jvasp-10088",
"created_at": "2022-09-04T14:36:52.181030Z",
"updated_at": "2022-09-04T14:36:52.181050Z",
"structure_string": "K1 Cr1 P2 S7\n1.0\n6.227738 0.017499 -0.561267\n-0.643143 6.377786 -0.742095\n0.023156 0.021007 6.452869\nK Cr P S\n1 1 2 7\ndirect\n0.500001 0.898561 0.101440 K\n0.000001 0.499930 0.500071 Cr\n0.919776 0.951530 0.643037 P\n0.080226 0.356964 0.048472 P\n0.000001 0.021941 0.978059 S\n0.233168 0.474201 0.816306 S\n0.714140 0.687245 0.633179 S\n0.285861 0.366822 0.312757 S\n0.819107 0.491538 0.148020 S\n0.180894 0.851981 0.508463 S\n0.766833 0.183695 0.525800 S\n",
"nsites": 11,
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"elements": [
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"Cr",
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"S"
],
"chemical_system": "Cr-K-P-S",
"density": 2.4432575829746446,
"density_atomic": 0.04287453529280931,
"volume": 256.56254755593494,
"volume_molar": 14.045961592054855,
"formula_full": "K1 Cr1 P2 S7",
"formula_reduced": "KCrP2S7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.4840614909090912,
"spacegroup": 5
},
{
"id": "jvasp-104012",
"created_at": "2022-09-04T14:36:52.195431Z",
"updated_at": "2022-09-04T14:36:52.195451Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.289546 0.014421 0.315049\n2.121241 4.621675 0.170634\n-0.080894 -0.018050 10.160896\nH Pb C S O\n8 1 6 1 4\ndirect\n0.055210 0.694850 0.318612 H\n0.703966 0.678411 0.412849 H\n0.475216 0.274781 0.436342 H\n0.227514 0.575186 0.539257 H\n0.652090 0.276799 0.744027 H\n0.602532 0.576403 0.640542 H\n0.022312 0.679453 0.767225 H\n0.654391 0.696163 0.861301 H\n0.695248 0.011380 0.090180 Pb\n0.114229 0.339530 0.909318 C\n0.893349 0.546079 0.807676 C\n0.783618 0.404773 0.700585 C\n0.950414 0.338439 0.271127 C\n0.965764 0.544908 0.372496 C\n0.216451 0.403587 0.479693 C\n0.124845 0.153341 0.590513 S\n0.116604 0.089402 0.926203 O\n0.197388 0.088403 0.254357 O\n0.292211 0.428336 0.977648 O\n0.683688 0.427356 0.202836 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.09938059554290636,
"volume": 201.24652997642022,
"volume_molar": 6.059674654897811,
"formula_full": "H8 Pb1 C6 S1 O4",
"formula_reduced": "H8PbC6SO4",
"formula_anonymous": "ABC4D6E8",
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"spacegroup": 5
}
]
}