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=-density_atomic&page=496",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=494",
"results": [
{
"id": "jvasp-92191",
"created_at": "2022-09-04T14:35:59.608615Z",
"updated_at": "2022-09-04T14:35:59.608649Z",
"structure_string": "Hf1 Mg3 O4\n1.0\n4.396949 -0.000000 0.000000\n0.000000 4.396949 0.000000\n0.000000 -0.000000 4.396949\nHf Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"O"
],
"chemical_system": "Hf-Mg-O",
"density": 6.161125874142181,
"density_atomic": 0.09410998455176799,
"volume": 85.00692076513266,
"volume_molar": 6.399045530272448,
"formula_full": "Hf1 Mg3 O4",
"formula_reduced": "HfMg3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.51131676875,
"spacegroup": 221
},
{
"id": "jvasp-51386",
"created_at": "2022-09-04T14:37:03.679531Z",
"updated_at": "2022-09-04T14:37:03.679554Z",
"structure_string": "Mn4 H4 S2 O12\n1.0\n5.735393 0.010132 2.175567\n1.556721 6.035322 2.633641\n-0.000306 0.027817 6.766371\nMn H S O\n4 4 2 12\ndirect\n0.820661 0.344666 0.150589 Mn\n0.179338 0.655334 0.849412 Mn\n0.320661 0.150589 0.344666 Mn\n0.679338 0.849411 0.655334 Mn\n0.189490 0.052149 0.769662 H\n0.310508 0.230339 0.947851 H\n0.810508 0.947850 0.230339 H\n0.689490 0.769661 0.052150 H\n0.749999 0.315547 0.684453 S\n0.250000 0.684453 0.315547 S\n0.414785 0.459124 0.321310 O\n0.914785 0.321309 0.459124 O\n0.585213 0.540876 0.678691 O\n0.395164 0.844874 0.250370 O\n0.104835 0.749630 0.155126 O\n0.604835 0.155126 0.749631 O\n0.295595 0.950954 0.682021 O\n0.204404 0.317980 0.049046 O\n0.704404 0.049045 0.317980 O\n0.795594 0.682020 0.950955 O\n0.085214 0.678691 0.540876 O\n0.895163 0.250370 0.844875 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Mn-O-S",
"density": 3.4086476775923247,
"density_atomic": 0.09410199879702494,
"volume": 233.78887038790015,
"volume_molar": 6.399588570896957,
"formula_full": "Mn4 H4 S2 O12",
"formula_reduced": "Mn2H2SO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.1745532257053286,
"spacegroup": 15
},
{
"id": "jvasp-102633",
"created_at": "2022-09-04T14:36:55.405172Z",
"updated_at": "2022-09-04T14:36:55.405187Z",
"structure_string": "Cr2 B4 Mo4\n1.0\n5.830128 0.000000 0.000000\n0.000000 5.830128 0.000000\n0.000000 -0.000000 3.126428\nCr B Mo\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.113740 0.613740 -0.000000 B\n0.886261 0.386260 -0.000000 B\n0.613740 0.886261 -0.000000 B\n0.386260 0.113740 -0.000000 B\n0.677702 0.177702 0.500000 Mo\n0.322298 0.822298 0.500000 Mo\n0.177702 0.322298 0.500000 Mo\n0.822298 0.677702 0.500000 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"B",
"Mo"
],
"chemical_system": "B-Cr-Mo",
"density": 8.297282931945603,
"density_atomic": 0.09410124923490899,
"volume": 106.26851483168485,
"volume_molar": 6.399639546725539,
"formula_full": "Cr2 B4 Mo4",
"formula_reduced": "Cr(BMo)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.393746873333333,
"spacegroup": 127
},
{
"id": "jvasp-52841",
"created_at": "2022-09-04T14:36:37.125411Z",
"updated_at": "2022-09-04T14:36:37.125438Z",
"structure_string": "Na2 H6 S2 O10\n1.0\n3.369743 3.873931 -1.947130\n-3.369743 3.873931 1.947130\n-0.038891 0.000000 8.163178\nNa H S O\n2 6 2 10\ndirect\n0.948420 0.496464 0.491771 Na\n0.503535 0.051580 0.991771 Na\n0.303088 0.597284 0.780343 H\n0.402716 0.696912 0.280343 H\n0.495723 0.528869 0.695130 H\n0.471131 0.504277 0.195130 H\n0.822907 0.591537 0.002184 H\n0.408463 0.177093 0.502184 H\n0.126038 0.137416 0.244790 S\n0.862583 0.873962 0.744790 S\n0.355005 0.462141 0.740768 O\n0.775365 0.687047 0.653099 O\n0.312953 0.224635 0.153099 O\n0.717991 0.141306 0.629014 O\n0.858693 0.282009 0.129013 O\n0.777750 0.789495 0.922039 O\n0.210505 0.222250 0.422039 O\n0.146967 0.870891 0.813862 O\n0.129109 0.853033 0.313862 O\n0.537858 0.644995 0.240768 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"H",
"S",
"O"
],
"chemical_system": "H-Na-O-S",
"density": 2.1575222675452213,
"density_atomic": 0.09409992642605199,
"volume": 212.54001740072468,
"volume_molar": 6.399729509600067,
"formula_full": "Na2 H6 S2 O10",
"formula_reduced": "NaH3SO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.37123365,
"spacegroup": 9
},
{
"id": "jvasp-5",
"created_at": "2022-09-04T14:36:52.549755Z",
"updated_at": "2022-09-04T14:36:52.549774Z",
"structure_string": "Ti2 O4\n1.0\n4.632142 0.000000 0.000000\n0.000000 4.632142 0.000000\n0.000000 0.000000 2.971761\nTi O\n2 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.695764 0.695764 0.000000 O\n0.195764 0.804235 0.500000 O\n0.304235 0.304235 0.000000 O\n0.804235 0.195764 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.159703079555951,
"density_atomic": 0.09409653746740759,
"volume": 63.76430165752095,
"volume_molar": 6.399960000744875,
"formula_full": "Ti2 O4",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4778351111111117,
"spacegroup": 136
},
{
"id": "jvasp-46497",
"created_at": "2022-09-04T14:38:11.126645Z",
"updated_at": "2022-09-04T14:38:11.126669Z",
"structure_string": "Na1 V1 O2\n1.0\n2.958969 0.000000 0.000000\n-1.479485 2.562975 0.000806\n0.000000 -0.000810 5.605363\nNa V O\n1 1 2\ndirect\n-0.000002 -0.000000 0.500000 Na\n0.999998 0.000000 0.000000 V\n0.333285 0.666571 0.202152 O\n0.666712 0.333430 0.797848 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 4.137898241227285,
"density_atomic": 0.09409606106070366,
"volume": 42.50974966337329,
"volume_molar": 6.399992403629915,
"formula_full": "Na1 V1 O2",
"formula_reduced": "NaVO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.56248255,
"spacegroup": 164
},
{
"id": "jvasp-35250",
"created_at": "2022-09-04T14:38:02.354156Z",
"updated_at": "2022-09-04T14:38:02.354190Z",
"structure_string": "Na2 H6 Ir1\n1.0\n3.629818 3.629818 -0.000000\n0.000000 3.629818 3.629818\n3.629818 0.000000 3.629818\nNa H Ir\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.233159 0.766842 0.766842 H\n0.233159 0.233159 0.766842 H\n0.233159 0.766842 0.233159 H\n0.766842 0.233159 0.233159 H\n0.766842 0.766842 0.233159 H\n0.766842 0.233159 0.766842 H\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"H",
"Ir"
],
"chemical_system": "H-Ir-Na",
"density": 4.240223740637047,
"density_atomic": 0.09409314048525182,
"volume": 95.64990554662869,
"volume_molar": 6.40019105425003,
"formula_full": "Na2 H6 Ir1",
"formula_reduced": "Na2H6Ir",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.438906566666667,
"spacegroup": 225
},
{
"id": "jvasp-41234",
"created_at": "2022-09-04T14:38:09.300052Z",
"updated_at": "2022-09-04T14:38:09.300080Z",
"structure_string": "Dy4 B16 Mo4\n1.0\n3.642774 0.000000 0.000000\n0.000000 6.019979 0.000000\n0.000000 0.000000 11.631800\nDy B Mo\n4 16 4\ndirect\n0.000000 0.126775 0.149771 Dy\n0.000000 0.873225 0.850229 Dy\n0.000000 0.626775 0.350229 Dy\n0.000000 0.373225 0.649771 Dy\n0.499999 0.114122 0.547526 B\n0.499999 0.885879 0.452474 B\n0.499999 0.614122 0.952474 B\n0.499999 0.385879 0.047526 B\n0.499999 0.133469 0.968254 B\n0.499999 0.866531 0.031746 B\n0.499999 0.633469 0.531746 B\n0.499999 0.366531 0.468254 B\n0.499999 0.213283 0.813825 B\n0.499999 0.786718 0.186175 B\n0.499999 0.713283 0.686175 B\n0.499999 0.286717 0.313825 B\n0.499999 0.024168 0.693518 B\n0.499999 0.975832 0.306482 B\n0.499999 0.524169 0.806482 B\n0.499999 0.475832 0.193518 B\n0.000000 0.129422 0.416464 Mo\n0.000000 0.870578 0.583536 Mo\n0.000000 0.629422 0.083536 Mo\n0.000000 0.370578 0.916464 Mo\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"B",
"Mo"
],
"chemical_system": "B-Dy-Mo",
"density": 7.855742434443694,
"density_atomic": 0.0940886226598834,
"volume": 255.07866223907314,
"volume_molar": 6.40049837031748,
"formula_full": "Dy4 B16 Mo4",
"formula_reduced": "DyB4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.57139878888889,
"spacegroup": 55
},
{
"id": "jvasp-71768",
"created_at": "2022-09-04T14:35:54.431373Z",
"updated_at": "2022-09-04T14:35:54.431404Z",
"structure_string": "Be1 Cr2 P1\n1.0\n-1.715116 1.715116 3.613068\n1.715116 -1.715116 3.613068\n1.715116 1.715116 -3.613068\nBe Cr P\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cr\n0.250000 0.750001 0.500001 Cr\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"P"
],
"chemical_system": "Be-Cr-P",
"density": 5.623705178956966,
"density_atomic": 0.09408856997663052,
"volume": 42.513134177653136,
"volume_molar": 6.4005019541648505,
"formula_full": "Be1 Cr2 P1",
"formula_reduced": "BeCr2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5767191,
"spacegroup": 119
},
{
"id": "jvasp-12702",
"created_at": "2022-09-04T14:38:10.278936Z",
"updated_at": "2022-09-04T14:38:10.278955Z",
"structure_string": "Mn4 Ni2 O12\n1.0\n4.958963 -0.000682 -0.000000\n-2.492647 4.286960 -0.000000\n-0.000000 -0.000000 9.000084\nMn Ni O\n4 2 12\ndirect\n0.666527 0.333472 0.000000 Mn\n0.833473 0.166529 0.500000 Mn\n0.333472 0.666526 0.000000 Mn\n0.166529 0.833474 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.500000 Ni\n0.169692 0.500492 0.394167 O\n0.330724 0.330725 0.105603 O\n0.169276 0.169278 0.605603 O\n0.669692 0.000493 0.105833 O\n0.000492 0.669692 0.105833 O\n0.669277 0.669277 0.894395 O\n0.830723 0.830724 0.394397 O\n0.500491 0.169691 0.394167 O\n0.830308 0.499507 0.605832 O\n0.330308 -0.000492 0.894167 O\n-0.000493 0.330309 0.894167 O\n0.499506 0.830308 0.605832 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 4.592623163167692,
"density_atomic": 0.09408499652094644,
"volume": 191.3163699378211,
"volume_molar": 6.400745052543283,
"formula_full": "Mn4 Ni2 O12",
"formula_reduced": "Mn2NiO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.994196431417625,
"spacegroup": 64
},
{
"id": "jvasp-10036",
"created_at": "2022-09-04T14:37:11.093916Z",
"updated_at": "2022-09-04T14:37:11.093930Z",
"structure_string": "Ti4 O8\n1.0\n5.439915 -0.641479 0.535410\n2.164420 5.031844 0.535410\n2.971939 1.715850 4.853156\nTi O\n4 8\ndirect\n0.124983 0.124983 0.875018 Ti\n0.125017 0.125017 0.374983 Ti\n0.625001 0.624999 0.125000 Ti\n0.625001 0.624999 0.625001 Ti\n0.320757 0.320756 0.429286 O\n0.429284 0.820789 0.374964 O\n0.320757 0.320756 0.929203 O\n0.820791 0.429283 0.374964 O\n0.429210 0.820716 0.875037 O\n0.820718 0.429209 0.875037 O\n0.929244 0.929242 0.320798 O\n0.929244 0.929242 0.820715 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.159129637943211,
"density_atomic": 0.09408356565928415,
"volume": 127.54618637071013,
"volume_molar": 6.400842397713417,
"formula_full": "Ti4 O8",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.477788444444445,
"spacegroup": 136
},
{
"id": "jvasp-102434",
"created_at": "2022-09-04T14:36:40.179972Z",
"updated_at": "2022-09-04T14:36:40.179997Z",
"structure_string": "Mn2 Ga2 O6\n1.0\n3.223924 0.000000 0.000000\n-1.611962 2.792000 0.000000\n-0.000000 -0.000000 11.808913\nMn Ga O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.750000 Ga\n0.666666 0.333333 0.250000 Ga\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.333333 0.666667 0.578903 O\n0.333333 0.666667 0.921097 O\n0.666666 0.333333 0.421097 O\n0.666666 0.333333 0.078903 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O",
"density": 5.394594414098751,
"density_atomic": 0.0940783880875861,
"volume": 106.29433819263669,
"volume_molar": 6.401194665871022,
"formula_full": "Mn2 Ga2 O6",
"formula_reduced": "MnGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9870000132758616,
"spacegroup": 194
}
]
}