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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4110",
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"results": [
{
"id": "jvasp-14248",
"created_at": "2022-09-04T14:37:12.333985Z",
"updated_at": "2022-09-04T14:37:12.334015Z",
"structure_string": "Ca4 Mg2 Si4 O14\n1.0\n7.868724 0.000000 0.000000\n0.000000 7.868724 -0.000000\n0.000000 -0.000000 5.015291\nCa Mg Si O\n4 2 4 14\ndirect\n0.167711 0.332288 0.495221 Ca\n0.332288 0.832288 0.504779 Ca\n0.667711 0.167711 0.504779 Ca\n0.832288 0.667711 0.495221 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.641229 0.858770 0.068110 Si\n0.141230 0.641229 0.931890 Si\n0.358770 0.141230 0.068110 Si\n0.858770 0.358770 0.931890 Si\n0.500000 0.000000 0.186650 O\n0.000000 0.500000 0.813350 O\n0.641548 0.858452 0.745568 O\n0.858452 0.358452 0.254432 O\n0.082168 0.816122 0.780526 O\n0.183877 0.082168 0.219474 O\n0.316122 0.582168 0.780526 O\n0.917831 0.183877 0.780526 O\n0.582168 0.683877 0.219474 O\n0.417832 0.316122 0.219474 O\n0.141548 0.641548 0.254432 O\n0.683877 0.417832 0.780526 O\n0.816122 0.917831 0.219474 O\n0.358452 0.141548 0.745568 O\n",
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"elements": [
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],
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"formula_full": "Ca4 Mg2 Si4 O14",
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{
"id": "jvasp-80160",
"created_at": "2022-09-04T14:37:17.283862Z",
"updated_at": "2022-09-04T14:37:17.283875Z",
"structure_string": "Li1 Ca2 Pd1\n1.0\n-14.469357 0.000000 -8.353888\n-8.500341 -0.436054 -1.984752\n-7.451008 2.531908 -3.802249\nLi Ca Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.660935 -0.000000 -0.000000 Ca\n0.339066 -0.000000 -0.000000 Ca\n0.500000 -0.000000 -0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.9151038703254786,
"density_atomic": 0.036286560546489474,
"volume": 110.2336495870226,
"volume_molar": 16.59606385753915,
"formula_full": "Li1 Ca2 Pd1",
"formula_reduced": "LiCa2Pd",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-44383",
"created_at": "2022-09-04T14:38:12.635555Z",
"updated_at": "2022-09-04T14:38:12.635573Z",
"structure_string": "Li2 Ni1 P4 O12\n1.0\n5.102090 0.189836 0.238407\n-2.265140 6.464248 0.182644\n-0.868523 -2.756539 6.462748\nLi Ni P O\n2 1 4 12\ndirect\n0.665048 0.726455 0.569896 Li\n0.334953 0.273546 0.430104 Li\n0.000000 0.000000 0.000000 Ni\n0.341565 0.795427 0.208670 P\n0.860887 0.420194 0.228114 P\n0.139114 0.579807 0.771887 P\n0.658436 0.204574 0.791330 P\n0.285465 0.995334 0.186212 O\n0.934873 0.339811 0.735298 O\n0.029415 0.266259 0.199312 O\n0.696090 0.438294 0.390093 O\n0.303911 0.561707 0.609907 O\n0.714535 0.004667 0.813788 O\n0.065128 0.660189 0.264702 O\n0.660602 0.360293 0.014488 O\n0.339399 0.639708 0.985512 O\n0.598516 0.833454 0.348683 O\n-0.029414 0.733741 0.800687 O\n0.401484 0.166547 0.651317 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 2.914941787562749,
"density_atomic": 0.08585872849457556,
"volume": 221.29375001401746,
"volume_molar": 7.014011115224553,
"formula_full": "Li2 Ni1 P4 O12",
"formula_reduced": "Li2Ni(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.758238757894737,
"spacegroup": 2
},
{
"id": "jvasp-48693",
"created_at": "2022-09-04T14:36:19.107497Z",
"updated_at": "2022-09-04T14:36:19.107533Z",
"structure_string": "Na6 Mn2 O6\n1.0\n5.670593 -0.024424 -0.033054\n-0.121870 5.882123 0.042216\n-0.136724 -2.705240 5.855122\nNa Mn O\n6 2 6\ndirect\n0.938047 0.772004 0.555423 Na\n0.871893 0.767777 0.019078 Na\n0.560852 0.246983 0.237329 Na\n0.439148 0.753018 0.762672 Na\n0.128107 0.232224 0.980923 Na\n0.061953 0.227997 0.444578 Na\n0.613145 0.206639 0.693589 Mn\n0.386855 0.793362 0.306413 Mn\n0.745881 0.092906 0.892068 O\n0.759182 0.473327 0.664438 O\n0.694543 0.940965 0.359967 O\n0.305457 0.059035 0.640034 O\n0.240818 0.526674 0.335563 O\n0.254119 0.907095 0.107933 O\n",
"nsites": 14,
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"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.914433443915665,
"density_atomic": 0.07146825513029714,
"volume": 195.8911683862428,
"volume_molar": 8.426315640448689,
"formula_full": "Na6 Mn2 O6",
"formula_reduced": "Na3MnO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.289379248768473,
"spacegroup": 2
},
{
"id": "jvasp-46706",
"created_at": "2022-09-04T14:38:33.502060Z",
"updated_at": "2022-09-04T14:38:33.502087Z",
"structure_string": "Mn2 P2 O8\n1.0\n5.106155 0.180388 0.396534\n2.941714 7.071531 4.489061\n2.663849 -1.220823 4.204296\nMn P O\n2 2 8\ndirect\n0.198797 0.258764 0.286930 Mn\n0.786929 0.758764 0.698797 Mn\n0.161992 0.626223 0.089668 P\n0.589668 0.126223 0.661992 P\n0.038692 0.776706 0.243237 O\n0.203222 0.457358 0.334339 O\n0.274985 0.146694 0.994914 O\n0.509404 0.117299 0.420177 O\n0.494913 0.646693 0.774985 O\n0.743236 0.276706 0.538692 O\n0.920177 0.617299 0.009404 O\n0.834338 0.957359 0.703221 O\n",
"nsites": 12,
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"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.9144333499739927,
"density_atomic": 0.07024693737297094,
"volume": 170.82595268583574,
"volume_molar": 8.572816104460024,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.791919456896552,
"spacegroup": 9
},
{
"id": "jvasp-113669",
"created_at": "2022-09-04T14:38:45.584163Z",
"updated_at": "2022-09-04T14:38:45.584183Z",
"structure_string": "Li1 Zn1 P1\n1.0\n5.702116 -0.097696 0.000000\n0.071018 3.825134 0.000000\n0.000000 0.000000 2.698210\nLi Zn P\n1 1 1\ndirect\n0.376224 -0.078038 0.000000 Li\n-0.159875 -0.076728 0.000000 Zn\n0.100742 0.422640 0.000000 P\n",
"nsites": 3,
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"elements": [
"Li",
"Zn",
"P"
],
"chemical_system": "Li-P-Zn",
"density": 2.9144239810596972,
"density_atomic": 0.05095944373664891,
"volume": 58.87034433702945,
"volume_molar": 11.817516672908676,
"formula_full": "Li1 Zn1 P1",
"formula_reduced": "LiZnP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6073153000000002,
"spacegroup": 25
},
{
"id": "jvasp-69639",
"created_at": "2022-09-04T14:35:56.445888Z",
"updated_at": "2022-09-04T14:35:56.445909Z",
"structure_string": "Mg4 Be1 Mo1\n1.0\n-0.000000 3.861866 3.861866\n3.861866 -0.000000 3.861866\n3.861866 3.861866 0.000000\nMg Be Mo\n4 1 1\ndirect\n0.125626 0.624792 0.624792 Mg\n0.624792 0.624792 0.624792 Mg\n0.624792 0.125626 0.624792 Mg\n0.624792 0.624792 0.125626 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
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"elements": [
"Mg",
"Be",
"Mo"
],
"chemical_system": "Be-Mg-Mo",
"density": 2.9143982592064583,
"density_atomic": 0.052087037039662006,
"volume": 115.19180857669562,
"volume_molar": 11.561688094130606,
"formula_full": "Mg4 Be1 Mo1",
"formula_reduced": "Mg4BeMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9505930333333338,
"spacegroup": 216
},
{
"id": "jvasp-43678",
"created_at": "2022-09-04T14:38:03.740500Z",
"updated_at": "2022-09-04T14:38:03.740526Z",
"structure_string": "Li8 Ni2 B4 O12\n1.0\n3.201987 0.000000 0.000000\n0.000000 7.826958 0.000000\n0.000000 0.000000 9.279430\nLi Ni B O\n8 2 4 12\ndirect\n0.500001 0.831114 0.941993 Li\n0.000000 -0.000001 0.792534 Li\n0.500001 0.499999 0.707466 Li\n0.000000 0.331114 0.558007 Li\n0.000000 0.668886 0.441993 Li\n0.500001 0.500001 0.292534 Li\n0.000000 0.000001 0.207466 Li\n0.500001 0.168886 0.058007 Li\n0.000000 0.500000 0.000000 Ni\n0.500001 0.000000 0.500000 Ni\n0.500001 0.762357 0.197089 B\n0.000000 0.262356 0.302911 B\n0.500001 0.237644 0.802911 B\n0.000000 0.737644 0.697089 B\n0.000000 0.247405 0.154080 O\n0.500001 0.388782 0.888338 O\n0.000000 0.752595 0.845920 O\n0.500001 0.082413 0.868247 O\n0.000000 0.582413 0.631752 O\n0.500001 0.252595 0.654080 O\n0.000000 0.888782 0.611662 O\n0.000000 0.111218 0.388338 O\n0.500001 0.747405 0.345920 O\n0.000000 0.417587 0.368248 O\n0.500001 0.917587 0.131752 O\n0.500001 0.611218 0.111662 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Ni",
"B",
"O"
],
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"density": 2.914316620218657,
"density_atomic": 0.11179940191780724,
"volume": 232.5593836281405,
"volume_molar": 5.3865590125673135,
"formula_full": "Li8 Ni2 B4 O12",
"formula_reduced": "Li4Ni(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.4074175820512824,
"spacegroup": 58
},
{
"id": "jvasp-51802",
"created_at": "2022-09-04T14:37:05.858872Z",
"updated_at": "2022-09-04T14:37:05.858888Z",
"structure_string": "Rb2 P2 H4 O8\n1.0\n0.000000 4.877020 -0.015138\n6.005074 0.000000 0.000000\n0.000000 -2.315028 -7.092838\nRb P H O\n2 2 4 8\ndirect\n0.225090 0.749999 0.251492 Rb\n0.774910 0.250000 0.748509 Rb\n0.715079 0.250000 0.250369 P\n0.284921 0.749999 0.749631 P\n0.193034 0.250000 0.380640 H\n0.806966 0.749999 0.619360 H\n0.500000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.007364 0.250000 0.417494 O\n-0.007364 0.749999 0.582506 O\n0.473947 0.250000 0.338316 O\n0.526053 0.749999 0.661685 O\n0.714818 0.038456 0.129432 O\n0.285182 0.538456 0.870568 O\n0.285182 0.961543 0.870568 O\n0.714818 0.461544 0.129432 O\n",
"nsites": 16,
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"elements": [
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"H",
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],
"chemical_system": "H-O-P-Rb",
"density": 2.9140853173335346,
"density_atomic": 0.07694621877841616,
"volume": 207.9374432429952,
"volume_molar": 7.826428453023926,
"formula_full": "Rb2 P2 H4 O8",
"formula_reduced": "RbP(HO2)2",
"formula_anonymous": "ABC2D4",
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"spacegroup": 11
},
{
"id": "jvasp-30323",
"created_at": "2022-09-04T14:38:05.229471Z",
"updated_at": "2022-09-04T14:38:05.229497Z",
"structure_string": "Mn2 C2 S2 O14\n1.0\n7.825721 0.000000 0.348922\n0.000000 6.140456 0.000000\n0.352792 0.000000 5.020548\nMn C S O\n2 2 2 14\ndirect\n0.306785 0.750000 0.792575 Mn\n0.693215 0.250000 0.207425 Mn\n0.019344 0.750000 0.712248 C\n0.980656 0.250000 0.287751 C\n0.416911 0.250000 0.738893 S\n0.583088 0.750000 0.261106 S\n0.840006 0.250000 0.470625 O\n0.696514 0.938452 0.190467 O\n0.696514 0.561549 0.190467 O\n0.567443 0.250000 0.886995 O\n0.523299 0.750000 0.551611 O\n0.476700 0.250000 0.448388 O\n0.303486 0.061548 0.809533 O\n0.303486 0.438452 0.809533 O\n0.920091 0.250000 0.047454 O\n0.159994 0.750000 0.529374 O\n0.079909 0.750000 0.952546 O\n0.128818 0.250000 0.333021 O\n0.432557 0.750000 0.113005 O\n0.871181 0.750000 0.666979 O\n",
"nsites": 20,
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],
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"volume": 240.4990095306151,
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"formula_full": "Mn2 C2 S2 O14",
"formula_reduced": "MnCSO7",
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"spacegroup": 11
},
{
"id": "jvasp-121147",
"created_at": "2022-09-04T14:38:53.938443Z",
"updated_at": "2022-09-04T14:38:53.938459Z",
"structure_string": "Na1 In1 S1\n1.0\n5.128212 -0.000000 0.000000\n-2.564106 4.441162 -0.000000\n0.000000 0.000000 4.250680\nNa In S\n1 1 1\ndirect\n0.333332 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 In\n0.666666 0.333333 0.000000 S\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.9137471840855165,
"density_atomic": 0.030988478781006797,
"volume": 96.81017326474041,
"volume_molar": 19.43348301334185,
"formula_full": "Na1 In1 S1",
"formula_reduced": "NaInS",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-64334",
"created_at": "2022-09-04T14:35:57.619527Z",
"updated_at": "2022-09-04T14:35:57.619549Z",
"structure_string": "Ba1 Ca1 Br1\n1.0\n0.000000 4.185483 4.185483\n4.185483 -0.000000 4.185483\n4.185483 4.185483 -0.000000\nBa Ca Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"Ca",
"Br"
],
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"density": 2.913649668305549,
"density_atomic": 0.0204575919621082,
"volume": 146.6448253321621,
"volume_molar": 29.437192662529796,
"formula_full": "Ba1 Ca1 Br1",
"formula_reduced": "BaCaBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1585999999999998,
"spacegroup": 216
}
]
}