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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=542",
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"results": [
{
"id": "jvasp-922",
"created_at": "2022-09-04T14:38:15.164386Z",
"updated_at": "2022-09-04T14:38:15.164412Z",
"structure_string": "Mn29\n1.0\n6.984219 0.000000 -2.469294\n-3.492109 6.048511 -2.469294\n0.000000 0.000000 7.407883\nMn\n29\ndirect\n0.000000 0.000000 0.000000 Mn\n0.177840 0.370369 0.370370 Mn\n-0.000000 0.629631 0.807470 Mn\n0.629631 0.000000 0.807470 Mn\n0.807470 0.000000 0.629631 Mn\n0.192530 0.822160 0.192530 Mn\n0.822160 0.192530 0.192530 Mn\n-0.000000 0.807470 0.629631 Mn\n0.807470 0.629631 0.000001 Mn\n0.629631 0.807470 0.000001 Mn\n0.370369 0.370369 0.177840 Mn\n0.681671 0.681671 0.286840 Mn\n0.394831 0.713160 0.394832 Mn\n0.370369 0.177840 0.370370 Mn\n0.713160 0.394831 0.394832 Mn\n0.605169 0.000000 0.318329 Mn\n0.318329 0.000000 0.605169 Mn\n0.681671 0.286840 0.681671 Mn\n0.286840 0.681671 0.681671 Mn\n-0.000000 0.318329 0.605169 Mn\n0.318329 0.605169 0.000000 Mn\n0.605169 0.318329 0.000001 Mn\n0.394831 0.394831 0.713160 Mn\n0.000000 0.000000 0.362781 Mn\n-0.000000 0.362781 0.000000 Mn\n0.362782 0.000000 0.000000 Mn\n0.637219 0.637218 0.637219 Mn\n-0.000000 0.605169 0.318329 Mn\n0.192530 0.192530 0.822160 Mn\n",
"nsites": 29,
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"elements": [
"Mn"
],
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"density": 8.453953564034288,
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"volume": 312.9395387554325,
"volume_molar": 6.498503281912723,
"formula_full": "Mn29",
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"formula_anonymous": "A",
"energy_above_hull": 2.7586206901020205e-06,
"spacegroup": 217
},
{
"id": "jvasp-103826",
"created_at": "2022-09-04T14:36:53.812192Z",
"updated_at": "2022-09-04T14:36:53.812208Z",
"structure_string": "H4 C8 S1 O2\n1.0\n3.676792 -0.030383 0.628885\n0.910769 6.276783 1.358422\n0.216940 0.169345 7.075681\nH C S O\n4 8 1 2\ndirect\n0.432399 0.246766 0.761456 H\n0.597775 0.770284 0.121772 H\n0.210887 0.883990 0.415675 H\n0.788920 0.129528 0.465291 H\n0.341182 0.719720 0.426179 C\n0.559811 0.656951 0.262056 C\n0.293195 0.572501 0.607367 C\n0.717746 0.442516 0.273524 C\n0.467061 0.361300 0.621742 C\n0.668047 0.295527 0.454715 C\n0.913043 0.373842 0.092774 C\n0.044148 0.642868 0.775010 C\n0.908106 0.139536 0.046965 S\n0.801552 0.792805 0.765550 O\n0.114396 0.527441 0.965121 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.684172541453791,
"density_atomic": 0.09266280106925759,
"volume": 161.87725631981243,
"volume_molar": 6.4989841560034005,
"formula_full": "H4 C8 S1 O2",
"formula_reduced": "H4C8SO2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 5.397390466666667,
"spacegroup": 1
},
{
"id": "jvasp-46972",
"created_at": "2022-09-04T14:38:07.153996Z",
"updated_at": "2022-09-04T14:38:07.154007Z",
"structure_string": "Na1 Mn3 O4\n1.0\n3.184182 -0.043775 -0.059516\n-0.264349 5.316506 0.059810\n-0.264371 -1.527656 5.092649\nNa Mn O\n1 3 4\ndirect\n0.000169 0.999937 0.999848 Na\n0.500163 -0.000057 0.499857 Mn\n0.000201 0.499923 0.499840 Mn\n0.500149 0.499946 0.999855 Mn\n0.000228 0.731072 0.268663 O\n0.453797 0.729653 0.729564 O\n0.546578 0.270210 0.270121 O\n0.000228 0.268753 0.730982 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.8429523542998005,
"density_atomic": 0.09266010023264845,
"volume": 86.33705316434818,
"volume_molar": 6.499173586991351,
"formula_full": "Na1 Mn3 O4",
"formula_reduced": "NaMn3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.9532905905172413,
"spacegroup": 12
},
{
"id": "jvasp-42219",
"created_at": "2022-09-04T14:37:00.458728Z",
"updated_at": "2022-09-04T14:37:00.458755Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.738766 0.000000 0.000000\n0.000000 4.984824 0.000000\n0.000000 0.000000 10.564694\nLi Mn P O\n4 4 4 16\ndirect\n-0.009767 0.590328 0.052643 Li\n0.490234 0.090328 0.447357 Li\n-0.009767 0.909671 0.552642 Li\n0.490234 0.409672 0.947357 Li\n0.990132 -0.029076 0.234579 Mn\n0.490132 0.470924 0.265421 Mn\n0.990132 0.529075 0.734579 Mn\n0.490132 0.029076 0.765421 Mn\n0.990134 0.112341 0.916883 P\n0.490134 0.612341 0.583116 P\n0.990134 0.387658 0.416883 P\n0.490134 0.887658 0.083117 P\n0.705528 0.749041 0.651702 O\n0.274739 0.749028 0.651708 O\n0.774739 0.249028 0.848292 O\n0.205528 0.249041 0.848297 O\n0.490129 0.307720 0.601397 O\n0.490126 0.701238 0.443761 O\n0.990127 0.298761 0.556238 O\n0.490129 0.192280 0.101397 O\n0.705528 0.750958 0.151703 O\n0.274739 0.750971 0.151708 O\n0.774739 0.250971 0.348292 O\n0.205528 0.250959 0.348297 O\n0.990129 0.807720 0.898603 O\n0.490126 0.798761 0.943761 O\n0.990129 0.692279 0.398603 O\n0.990127 0.201239 0.056238 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.447223727965762,
"density_atomic": 0.09264729909012671,
"volume": 302.22143845512187,
"volume_molar": 6.500071582380074,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.549022391625616,
"spacegroup": 62
},
{
"id": "jvasp-79146",
"created_at": "2022-09-04T14:38:03.740756Z",
"updated_at": "2022-09-04T14:38:03.740776Z",
"structure_string": "Cu2 N2\n1.0\n2.767280 0.731484 -0.150779\n0.666914 2.767224 -0.335231\n-0.250961 0.288114 5.994473\nCu N\n2 2\ndirect\n0.713870 0.666438 0.907849 Cu\n0.332928 0.286225 0.586304 Cu\n0.229848 0.791199 0.345811 N\n0.208778 0.770352 0.148288 N\n",
"nsites": 4,
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"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 5.965513418203231,
"density_atomic": 0.09264709422754738,
"volume": 43.174586675926776,
"volume_molar": 6.500085955431289,
"formula_full": "Cu2 N2",
"formula_reduced": "CuN",
"formula_anonymous": "AB",
"energy_above_hull": 1.7364618499999998,
"spacegroup": 5
},
{
"id": "jvasp-69990",
"created_at": "2022-09-04T14:35:57.693778Z",
"updated_at": "2022-09-04T14:35:57.693796Z",
"structure_string": "Mn1 Be2 Ga1\n1.0\n2.732588 0.000000 0.000000\n0.000000 2.732588 -0.000000\n0.000000 -0.000000 5.782036\nMn Be Ga\n1 2 1\ndirect\n0.500000 0.500000 0.787007 Mn\n0.000000 0.000000 0.022888 Be\n0.500000 0.500000 0.203745 Be\n0.000000 0.000000 0.486361 Ga\n",
"nsites": 4,
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"elements": [
"Mn",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Mn",
"density": 5.487816194315576,
"density_atomic": 0.09264689874098264,
"volume": 43.1746777750542,
"volume_molar": 6.5000996707255005,
"formula_full": "Mn1 Be2 Ga1",
"formula_reduced": "MnBe2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8891479415948271,
"spacegroup": 99
},
{
"id": "jvasp-1375",
"created_at": "2022-09-04T14:35:46.136120Z",
"updated_at": "2022-09-04T14:35:46.136150Z",
"structure_string": "Li3 N1\n1.0\n1.801662 -3.120570 0.000000\n1.801662 3.120570 0.000000\n0.000000 0.000000 3.839690\nLi N\n3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.666666 0.333332 0.000000 Li\n0.333332 0.666666 0.000000 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
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"elements": [
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"N"
],
"chemical_system": "Li-N",
"density": 1.3395700379089321,
"density_atomic": 0.09264598120516611,
"volume": 43.17510536309105,
"volume_molar": 6.5001640456091305,
"formula_full": "Li3 N1",
"formula_reduced": "Li3N",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6751733125,
"spacegroup": 191
},
{
"id": "jvasp-50019",
"created_at": "2022-09-04T14:37:12.057466Z",
"updated_at": "2022-09-04T14:37:12.057500Z",
"structure_string": "Ga4 Si1 O8\n1.0\n6.204010 1.491226 -0.030797\n-6.204010 1.491226 0.030797\n-5.553053 0.000000 7.611796\nGa Si O\n4 1 8\ndirect\n0.243349 0.756654 0.642826 Ga\n0.540568 0.459435 0.724740 Ga\n0.459435 0.540567 0.275260 Ga\n0.756654 0.243348 0.357175 Ga\n0.000000 0.000000 0.000000 Si\n0.116765 0.883237 0.704658 O\n0.151684 0.848319 0.207414 O\n0.354854 0.645148 0.537197 O\n0.556280 0.443723 0.933674 O\n0.443723 0.556279 0.066326 O\n0.645149 0.354854 0.462804 O\n0.848319 0.151684 0.792586 O\n0.883238 0.116765 0.295343 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ga",
"Si",
"O"
],
"chemical_system": "Ga-O-Si",
"density": 5.146993609745902,
"density_atomic": 0.09263729890461726,
"volume": 140.33224363963024,
"volume_molar": 6.500773264342061,
"formula_full": "Ga4 Si1 O8",
"formula_reduced": "Ga4SiO8",
"formula_anonymous": "AB4C8",
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"spacegroup": 12
},
{
"id": "jvasp-44443",
"created_at": "2022-09-04T14:36:58.946266Z",
"updated_at": "2022-09-04T14:36:58.946291Z",
"structure_string": "Co6 Sn2 O16\n1.0\n5.657584 0.000019 -0.000029\n-2.828775 4.899583 0.000057\n-0.000008 0.000015 9.346586\nCo Sn O\n6 2 16\ndirect\n0.167479 0.832522 0.213547 Co\n0.167483 0.334976 0.213549 Co\n0.665038 0.832525 0.213547 Co\n0.334960 0.167486 0.713547 Co\n0.832518 0.665044 0.713548 Co\n0.832515 0.167491 0.713550 Co\n0.333347 0.666684 0.491810 Sn\n0.666650 0.333334 0.991810 Sn\n0.844101 0.688210 0.107479 O\n0.666662 0.333342 0.611130 O\n0.515267 0.030537 0.826317 O\n0.515262 0.484738 0.826313 O\n0.688230 0.844131 0.607469 O\n0.311768 0.155900 0.107469 O\n0.484731 0.515270 0.326317 O\n0.000003 0.000006 0.312899 O\n0.155900 0.311805 0.607480 O\n0.999996 0.000003 0.812899 O\n0.969453 0.484735 0.826322 O\n0.333336 0.666681 0.111130 O\n0.030545 0.515280 0.326322 O\n0.155896 0.844106 0.607480 O\n0.484735 0.969475 0.326313 O\n0.844098 0.155904 0.107480 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Co-O-Sn",
"density": 5.428669925069695,
"density_atomic": 0.09263332721866484,
"volume": 259.08601926115637,
"volume_molar": 6.501051987244812,
"formula_full": "Co6 Sn2 O16",
"formula_reduced": "Co3SnO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.909775200000001,
"spacegroup": 186
},
{
"id": "jvasp-48112",
"created_at": "2022-09-04T14:36:20.639443Z",
"updated_at": "2022-09-04T14:36:20.639473Z",
"structure_string": "Li1 Mn2 B2 O6\n1.0\n5.143232 -0.003258 -0.074782\n-2.563059 4.554459 0.008929\n-2.225093 -1.423151 5.112395\nLi Mn B O\n1 2 2 6\ndirect\n0.449379 0.397311 0.666412 Li\n0.830516 0.224435 0.243777 Mn\n0.146907 0.764251 0.741929 Mn\n0.182248 0.907848 0.256657 B\n0.818059 0.087780 0.746298 B\n0.025599 0.680884 0.365482 O\n0.336689 0.856292 0.123422 O\n0.213628 0.179798 0.298502 O\n0.782492 0.810230 0.724427 O\n0.620763 0.138205 0.830346 O\n0.028456 0.318967 0.671273 O\n",
"nsites": 11,
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"elements": [
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],
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"density": 3.2782776331021193,
"density_atomic": 0.0926330492882942,
"volume": 118.74811511133144,
"volume_molar": 6.501071492592009,
"formula_full": "Li1 Mn2 B2 O6",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.391910059038662,
"spacegroup": 1
},
{
"id": "jvasp-119291",
"created_at": "2022-09-04T14:38:47.670003Z",
"updated_at": "2022-09-04T14:38:47.670028Z",
"structure_string": "Cd2 Fe4 O8\n1.0\n5.177399 -0.000691 -2.991144\n-1.725061 4.881616 -2.991053\n0.000493 0.000669 5.979305\nCd Fe O\n2 4 8\ndirect\n0.375005 0.125005 0.250001 Cd\n0.624995 0.874996 0.750002 Cd\n-0.000000 0.500000 0.500002 Fe\n0.500001 0.500000 0.000002 Fe\n-0.000000 0.000000 0.500001 Fe\n0.000001 0.500000 0.000001 Fe\n0.186641 0.728841 0.457800 O\n0.228959 0.271159 0.957801 O\n0.228829 0.686641 0.957811 O\n0.228830 0.271020 0.542190 O\n0.771170 0.313360 0.042191 O\n0.771169 0.728981 0.457812 O\n0.813359 0.271160 0.542202 O\n0.771041 0.728842 0.042202 O\n",
"nsites": 14,
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"elements": [
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"Fe",
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],
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"density": 6.330738663136677,
"density_atomic": 0.09263224309368681,
"volume": 151.13528003246793,
"volume_molar": 6.501128072553851,
"formula_full": "Cd2 Fe4 O8",
"formula_reduced": "Cd(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.196426392857142,
"spacegroup": 227
},
{
"id": "jvasp-112438",
"created_at": "2022-09-04T14:38:40.109377Z",
"updated_at": "2022-09-04T14:38:40.109409Z",
"structure_string": "Li2 V2 F8\n1.0\n4.499587 0.830630 0.000000\n-0.776794 4.509193 0.000000\n0.000000 0.000000 6.188242\nLi V F\n2 2 8\ndirect\n0.500024 0.499976 0.750000 Li\n0.499977 0.500023 0.250000 Li\n0.000000 0.000000 0.000000 V\n-0.000000 -0.000000 0.500000 V\n0.193157 0.193104 0.250000 F\n0.193104 0.193157 0.750000 F\n0.294330 0.705670 0.500015 F\n0.294330 0.705670 -0.000016 F\n0.705672 0.294329 0.000016 F\n0.705672 0.294329 0.499984 F\n0.806897 0.806842 0.250000 F\n0.806844 0.806896 0.750000 F\n",
"nsites": 12,
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"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4320012573002208,
"density_atomic": 0.0926288980229548,
"volume": 129.5492039323001,
"volume_molar": 6.501362845218805,
"formula_full": "Li2 V2 F8",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3131092216666666,
"spacegroup": 65
}
]
}