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=882",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=880",
"results": [
{
"id": "jvasp-88031",
"created_at": "2022-09-04T14:35:59.421087Z",
"updated_at": "2022-09-04T14:35:59.421106Z",
"structure_string": "Cr2 O6\n1.0\n4.774903 0.000000 0.000000\n-2.387451 4.205092 0.000000\n0.000000 0.000000 5.760675\nCr O\n2 6\ndirect\n0.563683 0.795857 0.250000 Cr\n0.767825 0.204142 0.749999 Cr\n0.878945 0.763864 0.250000 O\n0.115081 0.236135 0.749999 O\n0.553068 0.000000 0.000000 O\n0.553068 0.000000 0.500000 O\n0.810260 0.552194 0.749999 O\n0.258066 0.447806 0.250000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.8710510052577956,
"density_atomic": 0.06916343547092967,
"volume": 115.66805416082185,
"volume_molar": 8.707116294897162,
"formula_full": "Cr2 O6",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5733944750000006,
"spacegroup": 40
},
{
"id": "jvasp-88075",
"created_at": "2022-09-04T14:36:08.618216Z",
"updated_at": "2022-09-04T14:36:08.618241Z",
"structure_string": "Na6 Eu2 C6 O18\n1.0\n6.547023 -0.020373 -0.000000\n-2.690726 5.968578 0.000000\n0.000000 0.000000 9.990665\nNa Eu C O\n6 2 6 18\ndirect\n0.401785 0.365818 0.250000 Na\n0.068416 0.068416 0.500000 Na\n0.206703 0.798240 0.750000 Na\n0.365817 0.401786 0.750000 Na\n0.068416 0.068416 0.000000 Na\n0.798240 0.206704 0.250000 Na\n0.227808 0.772051 0.250000 Eu\n0.772050 0.227808 0.750000 Eu\n0.119786 0.532407 0.001274 C\n0.532407 0.119787 0.998727 C\n0.532407 0.119787 0.501274 C\n0.119786 0.532407 0.498726 C\n0.784052 0.760327 0.250000 C\n0.760325 0.784053 0.750000 C\n0.101421 0.436070 0.886241 O\n0.589660 0.764882 0.250000 O\n0.721411 0.104296 0.513027 O\n0.764881 0.589661 0.750000 O\n0.436070 0.101422 0.113759 O\n0.159791 0.442149 0.391091 O\n0.967541 0.948586 0.250000 O\n0.948584 0.967543 0.750000 O\n0.442149 0.159792 0.891091 O\n0.721411 0.104296 0.986973 O\n0.808367 0.574288 0.250000 O\n0.574286 0.808368 0.750000 O\n0.159791 0.442149 0.108909 O\n0.104295 0.721412 0.486973 O\n0.104295 0.721412 0.013027 O\n0.101421 0.436070 0.613759 O\n0.436070 0.101422 0.386241 O\n0.442149 0.159792 0.608909 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Eu",
"C",
"O"
],
"chemical_system": "C-Eu-Na-O",
"density": 3.415707626383099,
"density_atomic": 0.08208248893052204,
"volume": 389.8517261956579,
"volume_molar": 7.336693658372597,
"formula_full": "Na6 Eu2 C6 O18",
"formula_reduced": "Na3Eu(CO3)3",
"formula_anonymous": "AB3C3D9",
"energy_above_hull": 2.92398990625,
"spacegroup": 40
},
{
"id": "jvasp-90515",
"created_at": "2022-09-04T14:36:09.073295Z",
"updated_at": "2022-09-04T14:36:09.073314Z",
"structure_string": "Cr2 O6\n1.0\n4.776336 -0.000236 0.000522\n2.387987 4.198937 0.000136\n0.000547 -0.000158 5.760129\nCr O\n2 6\ndirect\n0.094894 0.795436 0.749988 Cr\n0.890399 0.204560 0.250002 Cr\n0.848339 0.552857 0.250015 O\n0.401035 0.447113 0.749972 O\n0.780116 0.762760 0.750044 O\n0.542926 0.237294 0.250055 O\n0.105138 0.000016 -0.000039 O\n0.105162 -0.000036 0.499964 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.8745886081062104,
"density_atomic": 0.06924865609775938,
"volume": 115.52570765714614,
"volume_molar": 8.6964009113743,
"formula_full": "Cr2 O6",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5733869750000005,
"spacegroup": 40
},
{
"id": "jvasp-85704",
"created_at": "2022-09-04T14:36:18.860358Z",
"updated_at": "2022-09-04T14:36:18.860384Z",
"structure_string": "Li2 H2 S2\n1.0\n6.074475 0.000000 0.000000\n0.000000 2.781953 2.740624\n0.000000 -2.781953 2.740624\nLi H S\n2 2 2\ndirect\n0.000000 0.502892 0.502892 Li\n0.500000 0.502892 0.502892 Li\n0.749999 0.990586 0.125702 H\n0.250000 0.125702 0.990586 H\n0.250000 0.471743 0.000183 S\n0.749999 0.000183 0.471743 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"H",
"S"
],
"chemical_system": "H-Li-S",
"density": 1.4346713312106967,
"density_atomic": 0.06477587088804396,
"volume": 92.62708347634819,
"volume_molar": 9.296888914713984,
"formula_full": "Li2 H2 S2",
"formula_reduced": "LiHS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2479166666666668,
"spacegroup": 40
},
{
"id": "jvasp-13102",
"created_at": "2022-09-04T14:36:33.891055Z",
"updated_at": "2022-09-04T14:36:33.891070Z",
"structure_string": "Sr4 Ge2 Se8\n1.0\n6.470753 0.012054 0.000000\n-2.179577 6.092638 0.000000\n0.000000 -0.000000 10.340679\nSr Ge Se\n4 2 8\ndirect\n0.747196 0.362456 0.250000 Sr\n0.362456 0.747197 0.750000 Sr\n0.001525 0.001525 0.500000 Sr\n0.001525 0.001525 0.000000 Sr\n0.759984 0.312354 0.750000 Ge\n0.312353 0.759984 0.250000 Ge\n0.264307 0.114348 0.250000 Se\n0.114348 0.264308 0.750000 Se\n0.702065 0.835747 0.250000 Se\n0.835747 0.702066 0.750000 Se\n0.137314 0.571830 0.441324 Se\n0.571830 0.137314 0.558676 Se\n0.137314 0.571830 0.058676 Se\n0.571830 0.137314 0.941324 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Se"
],
"chemical_system": "Ge-Se-Sr",
"density": 4.589273700884197,
"density_atomic": 0.03431859177554306,
"volume": 407.94214668146776,
"volume_molar": 17.54775020894547,
"formula_full": "Sr4 Ge2 Se8",
"formula_reduced": "Sr2GeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6581988623809525,
"spacegroup": 40
},
{
"id": "jvasp-9785",
"created_at": "2022-09-04T14:36:39.836439Z",
"updated_at": "2022-09-04T14:36:39.836458Z",
"structure_string": "K2 V2 Cu4 S8\n1.0\n5.152875 -0.000000 -1.558377\n0.000000 7.292929 0.000000\n-0.009101 0.000000 9.268256\nK V Cu S\n2 2 4 8\ndirect\n0.915316 0.750000 0.362390 K\n0.552926 0.250000 0.637610 K\n0.865374 0.750000 0.776189 V\n0.089185 0.250000 0.223811 V\n-0.000536 0.500000 0.000000 Cu\n-0.000536 0.000000 0.000000 Cu\n0.366514 0.750000 0.779380 Cu\n0.587134 0.250000 0.220620 Cu\n0.324252 0.497268 0.223844 S\n0.100409 0.502732 0.776157 S\n0.532445 0.750000 0.577648 S\n0.954796 0.250000 0.422351 S\n0.731685 0.750000 0.983878 S\n0.747808 0.250000 0.016122 S\n0.324252 0.002732 0.223844 S\n0.100409 0.997268 0.776157 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"V",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-V",
"density": 3.2943557358172755,
"density_atomic": 0.04595146488471578,
"volume": 348.1934697868983,
"volume_molar": 13.105438042309428,
"formula_full": "K2 V2 Cu4 S8",
"formula_reduced": "KV(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.3677616375,
"spacegroup": 40
},
{
"id": "jvasp-104107",
"created_at": "2022-09-04T14:36:44.316271Z",
"updated_at": "2022-09-04T14:36:44.316288Z",
"structure_string": "H6 C6 N2\n1.0\n5.740713 0.189189 -0.000150\n-3.751609 4.349368 -0.000150\n0.000108 0.000248 5.131104\nH C N\n6 6 2\ndirect\n0.870595 0.698176 0.394543 H\n0.698175 0.870597 0.894542 H\n0.698186 0.870602 0.414026 H\n0.870602 0.698187 0.914026 H\n0.269018 0.433758 0.654284 H\n0.433757 0.269018 0.154285 H\n0.656398 0.656398 0.404286 C\n0.656398 0.656399 0.904285 C\n0.486945 0.479635 0.654284 C\n0.479634 0.486946 0.154284 C\n0.423562 0.189656 0.654283 C\n0.189655 0.423562 0.154284 C\n0.369382 0.957696 0.654290 N\n0.957695 0.369382 0.154290 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.3374937722767204,
"density_atomic": 0.10625564730011636,
"volume": 131.75770282079557,
"volume_molar": 5.667595947150572,
"formula_full": "H6 C6 N2",
"formula_reduced": "H3C3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 5.055813321428571,
"spacegroup": 40
},
{
"id": "jvasp-48148",
"created_at": "2022-09-04T14:36:45.230495Z",
"updated_at": "2022-09-04T14:36:45.230524Z",
"structure_string": "Li4 Co4 Si4 O14\n1.0\n5.024869 0.000000 0.000000\n-2.512435 4.108665 0.000000\n0.000000 -0.000000 13.139484\nLi Co Si O\n4 4 4 14\ndirect\n0.343832 0.597091 0.583099 Li\n0.343832 0.597091 0.916901 Li\n0.746742 0.402907 0.083099 Li\n0.746742 0.402907 0.416901 Li\n0.025345 -0.000000 0.000000 Co\n0.025345 -0.000000 0.500000 Co\n0.003333 -0.004734 0.250000 Co\n0.008068 0.004734 0.750000 Co\n0.700124 0.304506 0.863154 Si\n0.700124 0.304506 0.636846 Si\n0.395616 0.695493 0.136846 Si\n0.395616 0.695493 0.363154 Si\n0.337549 0.210905 0.862952 O\n0.748473 0.024184 0.128927 O\n0.748473 0.024184 0.371073 O\n0.860919 0.487211 0.750000 O\n0.337549 0.210905 0.637047 O\n0.371910 0.441347 0.448684 O\n0.126642 0.789094 0.137047 O\n0.724287 0.975815 0.628927 O\n0.724287 0.975815 0.871073 O\n0.373708 0.512788 0.250000 O\n0.126642 0.789094 0.362953 O\n0.930563 0.558652 0.551316 O\n0.371910 0.441347 0.051316 O\n0.930563 0.558652 0.948683 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.671755621846919,
"density_atomic": 0.09584502191550322,
"volume": 271.2712614633397,
"volume_molar": 6.283206617980752,
"formula_full": "Li4 Co4 Si4 O14",
"formula_reduced": "Li2Co2Si2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.780621807692308,
"spacegroup": 40
},
{
"id": "jvasp-52228",
"created_at": "2022-09-04T14:36:56.933653Z",
"updated_at": "2022-09-04T14:36:56.933682Z",
"structure_string": "Ho2 B2 O6\n1.0\n4.358491 0.000213 -0.000018\n-2.179171 3.190349 0.000033\n-0.000023 0.000010 8.474403\nHo B O\n2 2 6\ndirect\n0.069967 0.000011 0.000001 Ho\n0.069958 0.000012 0.500000 Ho\n0.491109 0.724530 0.249998 B\n0.766581 0.275488 0.749998 B\n0.324536 0.660271 0.103271 O\n0.324535 0.660288 0.396724 O\n0.853161 0.843545 0.250001 O\n0.664250 0.339736 0.603272 O\n0.664270 0.339741 0.896729 O\n0.009635 0.156471 0.749999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"B",
"O"
],
"chemical_system": "B-Ho-O",
"density": 6.3055625415906515,
"density_atomic": 0.08485980753325319,
"volume": 117.84141739988506,
"volume_molar": 7.096576029400211,
"formula_full": "Ho2 B2 O6",
"formula_reduced": "HoBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.13871373,
"spacegroup": 40
},
{
"id": "jvasp-106769",
"created_at": "2022-09-04T14:36:59.167025Z",
"updated_at": "2022-09-04T14:36:59.167053Z",
"structure_string": "Nb6 Sn2 H2\n1.0\n5.400679 0.001389 0.000000\n-0.019697 5.400643 0.000000\n-0.000000 0.000000 5.378922\nNb Sn H\n6 2 2\ndirect\n0.253106 0.508951 0.250000 Nb\n0.990000 0.990000 -0.000000 Nb\n0.508952 0.253106 0.750000 Nb\n0.745530 0.512000 0.250000 Nb\n0.990000 0.990000 0.500000 Nb\n0.512000 0.745529 0.750000 Nb\n0.496662 0.003974 0.250000 Sn\n0.003974 0.496662 0.750000 Sn\n0.997738 0.252039 0.250000 H\n0.252039 0.997737 0.750000 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nb",
"Sn",
"H"
],
"chemical_system": "H-Nb-Sn",
"density": 8.434305992328136,
"density_atomic": 0.0637397728096295,
"volume": 156.8879140794372,
"volume_molar": 9.448011021291567,
"formula_full": "Nb6 Sn2 H2",
"formula_reduced": "Nb3SnH",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.105809979999998,
"spacegroup": 40
},
{
"id": "jvasp-52283",
"created_at": "2022-09-04T14:37:02.131096Z",
"updated_at": "2022-09-04T14:37:02.131114Z",
"structure_string": "Dy2 B2 O6\n1.0\n4.364626 -0.000048 0.000061\n-2.182326 3.206464 -0.000038\n0.000052 -0.000015 8.521345\nDy B O\n2 2 6\ndirect\n0.067877 0.000010 -0.000001 Dy\n0.067873 0.000010 0.500000 Dy\n0.490985 0.724941 0.249999 B\n0.766054 0.275075 0.749999 B\n0.325152 0.661166 0.103915 O\n0.325147 0.661166 0.396085 O\n0.852629 0.844359 0.249999 O\n0.663995 0.338848 0.603916 O\n0.663994 0.338850 0.896087 O\n0.008284 0.155660 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"B",
"O"
],
"chemical_system": "B-Dy-O",
"density": 6.163114831721809,
"density_atomic": 0.08385359725103757,
"volume": 119.25546819491116,
"volume_molar": 7.18173215869458,
"formula_full": "Dy2 B2 O6",
"formula_reduced": "DyBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.141723916666667,
"spacegroup": 40
},
{
"id": "jvasp-13103",
"created_at": "2022-09-04T14:37:02.487062Z",
"updated_at": "2022-09-04T14:37:02.487082Z",
"structure_string": "Sr4 Sn2 S8\n1.0\n6.325211 0.013753 -0.000000\n-2.132349 5.954962 -0.000000\n0.000000 -0.000000 10.037691\nSr Sn S\n4 2 8\ndirect\n0.207022 0.207022 0.500000 Sr\n0.207022 0.207022 0.000000 Sr\n0.859830 0.477250 0.250000 Sr\n0.477251 0.859830 0.750000 Sr\n0.459782 0.902551 0.250000 Sn\n0.902551 0.459782 0.750000 Sn\n0.648817 0.100203 0.446550 S\n0.100203 0.648817 0.553450 S\n0.648817 0.100203 0.053450 S\n0.100203 0.648817 0.946550 S\n0.383825 0.501996 0.250000 S\n0.501996 0.383825 0.750000 S\n0.952757 0.091181 0.750000 S\n0.091181 0.952757 0.250000 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"S"
],
"chemical_system": "S-Sn-Sr",
"density": 3.705798267359647,
"density_atomic": 0.037000040646458614,
"volume": 378.3779627101567,
"volume_molar": 16.276038228018535,
"formula_full": "Sr4 Sn2 S8",
"formula_reduced": "Sr2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8998520457142858,
"spacegroup": 40
}
]
}