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=-volume_molar&page=3817",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3815",
"results": [
{
"id": "jvasp-71935",
"created_at": "2022-09-04T14:35:58.594530Z",
"updated_at": "2022-09-04T14:35:58.594556Z",
"structure_string": "Be1 Cu2 Os1\n1.0\n-1.696756 1.696756 4.088859\n1.696756 -1.696756 4.088859\n1.696756 1.696756 -4.088859\nBe Cu Os\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.250000 0.750001 0.500001 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Os"
],
"chemical_system": "Be-Cu-Os",
"density": 11.50828877002398,
"density_atomic": 0.08494915792028411,
"volume": 47.08698824011394,
"volume_molar": 7.0891117786607705,
"formula_full": "Be1 Cu2 Os1",
"formula_reduced": "BeCu2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7921105000000002,
"spacegroup": 139
},
{
"id": "jvasp-10062",
"created_at": "2022-09-04T14:37:30.704806Z",
"updated_at": "2022-09-04T14:37:30.704818Z",
"structure_string": "Ca2 Cr4 O8\n1.0\n6.153307 -0.045731 -0.028641\n3.037049 5.351785 -0.028641\n3.040067 1.755184 4.964409\nCa Cr O\n2 4 8\ndirect\n0.125001 0.624999 0.625000 Ca\n0.625001 0.124999 0.625000 Ca\n0.994412 0.994410 0.005589 Cr\n0.255589 0.255588 0.244411 Cr\n0.625001 0.624999 0.125000 Cr\n0.625001 0.624999 0.625000 Cr\n0.394284 0.394282 0.340331 O\n0.409579 0.864554 0.362933 O\n0.394284 0.394282 0.871104 O\n0.864556 0.409578 0.362933 O\n0.385447 0.840420 0.887067 O\n0.840423 0.385444 0.887067 O\n0.855718 0.855716 0.378897 O\n0.855719 0.855716 0.909670 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.1930198553362095,
"density_atomic": 0.08495148721198079,
"volume": 164.79994005361647,
"volume_molar": 7.088917401731716,
"formula_full": "Ca2 Cr4 O8",
"formula_reduced": "CaCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.74260846,
"spacegroup": 74
},
{
"id": "jvasp-59250",
"created_at": "2022-09-04T14:38:05.969926Z",
"updated_at": "2022-09-04T14:38:05.969938Z",
"structure_string": "Ho4 Ti4 O14\n1.0\n7.154494 -0.000000 -0.000000\n3.577248 6.195973 -0.000000\n3.577248 2.065324 5.841620\nHo Ti O\n4 4 14\ndirect\n0.000001 0.499999 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 -0.000000 0.500000 Ho\n0.500000 0.499999 0.500000 Ho\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 -0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.668836 0.081164 0.081164 O\n0.918836 0.331164 0.331164 O\n0.918836 0.918835 0.331164 O\n0.625000 0.624999 0.625000 O\n0.331165 0.331163 0.918836 O\n0.331165 0.918835 0.331164 O\n0.375000 0.375000 0.375000 O\n0.081165 0.668835 0.668836 O\n0.081164 0.081164 0.668836 O\n0.081164 0.668836 0.081164 O\n0.918836 0.331163 0.918836 O\n0.668836 0.081164 0.668836 O\n0.668836 0.668836 0.081164 O\n0.331165 0.918835 0.918836 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"Ti",
"O"
],
"chemical_system": "Ho-O-Ti",
"density": 6.894597019270685,
"density_atomic": 0.08495734619585184,
"volume": 258.9534747152234,
"volume_molar": 7.088428522846256,
"formula_full": "Ho4 Ti4 O14",
"formula_reduced": "Ho2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.679653845454545,
"spacegroup": 227
},
{
"id": "jvasp-44409",
"created_at": "2022-09-04T14:37:52.746394Z",
"updated_at": "2022-09-04T14:37:52.746413Z",
"structure_string": "Ti1 Mn3 P4 O16\n1.0\n0.000000 4.861464 -0.005624\n5.923740 0.000000 0.000000\n0.000000 -0.032490 -9.809450\nTi Mn P O\n1 3 4 16\ndirect\n0.943669 0.500000 0.275787 Ti\n0.077032 0.000000 0.718210 Mn\n0.431475 0.000000 0.220246 Mn\n0.580793 0.500000 0.780178 Mn\n0.107876 0.500000 0.596963 P\n0.370912 0.500000 0.091072 P\n0.608533 0.000000 0.903474 P\n0.910979 0.000000 0.409429 P\n0.771926 0.791906 0.334462 O\n0.796258 0.500000 0.618726 O\n0.675019 0.500000 0.132977 O\n0.754854 0.204856 0.833763 O\n0.754854 0.795144 0.833763 O\n0.655378 0.000000 0.057788 O\n0.338553 0.500000 0.937927 O\n0.220679 0.000000 0.387852 O\n0.215467 0.300939 0.164567 O\n0.295773 0.000000 0.877301 O\n0.771926 0.208094 0.334462 O\n0.255238 0.705193 0.663095 O\n0.255238 0.294807 0.663095 O\n0.151990 0.500000 0.439193 O\n0.215467 0.699061 0.164567 O\n0.840098 0.000000 0.561098 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Ti",
"density": 3.483187629275651,
"density_atomic": 0.08495752601386614,
"volume": 282.49410177131216,
"volume_molar": 7.088413519735863,
"formula_full": "Ti1 Mn3 P4 O16",
"formula_reduced": "TiMn3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy_above_hull": 3.468094919061303,
"spacegroup": 6
},
{
"id": "jvasp-115294",
"created_at": "2022-09-04T14:38:45.862657Z",
"updated_at": "2022-09-04T14:38:45.862667Z",
"structure_string": "V1 Pb1 O3\n1.0\n3.889744 -0.000000 -0.000000\n-0.000000 3.889744 -0.000000\n-0.000000 -0.000000 3.889744\nV Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Pb",
"O"
],
"chemical_system": "O-Pb-V",
"density": 8.637850655973164,
"density_atomic": 0.08495852143989355,
"volume": 58.85224831198834,
"volume_molar": 7.088330467545323,
"formula_full": "V1 Pb1 O3",
"formula_reduced": "VPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.104219104,
"spacegroup": 221
},
{
"id": "jvasp-8814",
"created_at": "2022-09-04T14:37:04.950162Z",
"updated_at": "2022-09-04T14:37:04.950193Z",
"structure_string": "Ca1 H1 N1\n1.0\n3.768655 -0.137692 0.194725\n1.765083 3.057214 0.000000\n2.003572 0.881380 3.077094\nCa H N\n1 1 1\ndirect\n0.051559 0.948440 0.051559 Ca\n0.640817 0.359183 0.640817 H\n0.457625 0.542375 0.457625 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"H",
"N"
],
"chemical_system": "Ca-H-N",
"density": 2.5907907424279015,
"density_atomic": 0.0849592969369274,
"volume": 35.31102666994947,
"volume_molar": 7.088265766218326,
"formula_full": "Ca1 H1 N1",
"formula_reduced": "CaHN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8625945566666664,
"spacegroup": 107
},
{
"id": "jvasp-122113",
"created_at": "2022-09-04T14:38:55.461283Z",
"updated_at": "2022-09-04T14:38:55.461303Z",
"structure_string": "Na2 Ce2 C4 O12\n1.0\n5.174171 -0.000000 0.000000\n0.000000 6.413190 0.000000\n-0.000000 -0.000000 7.094157\nNa Ce C O\n2 2 4 12\ndirect\n-0.000000 0.481164 0.030251 Na\n-0.000000 0.518836 0.530251 Na\n0.500000 0.134329 0.325685 Ce\n0.500000 0.865670 0.825685 Ce\n0.500000 0.586956 0.245192 C\n0.500000 0.413044 0.745192 C\n-0.000000 0.034071 0.996523 C\n-0.000000 0.965929 0.496523 C\n0.780254 0.124031 0.032010 O\n0.219746 0.875969 0.532010 O\n0.780254 0.875969 0.532010 O\n0.219746 0.124031 0.032010 O\n0.713206 0.490870 0.282570 O\n-0.000000 0.854299 0.913563 O\n0.713206 0.509130 0.782570 O\n0.286794 0.490870 0.282570 O\n0.500000 0.229503 0.665628 O\n-0.000000 0.145701 0.413563 O\n0.286794 0.509130 0.782570 O\n0.500000 0.770497 0.165628 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Ce",
"C",
"O"
],
"chemical_system": "C-Ce-Na-O",
"density": 3.9942885746403656,
"density_atomic": 0.0849599632486544,
"volume": 235.4049982515354,
"volume_molar": 7.0882101753915,
"formula_full": "Na2 Ce2 C4 O12",
"formula_reduced": "NaCe(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": null,
"spacegroup": 26
},
{
"id": "jvasp-85712",
"created_at": "2022-09-04T14:35:47.487165Z",
"updated_at": "2022-09-04T14:35:47.487188Z",
"structure_string": "Ca2 H4 C2 Cl2 O6\n1.0\n-3.426670 3.668058 3.949487\n3.479022 -3.668058 3.481189\n3.426670 3.668058 -3.949487\nCa H C Cl O\n2 4 2 2 6\ndirect\n0.863983 0.113907 0.249926 Ca\n0.136018 0.886093 0.750074 Ca\n0.816127 0.154236 0.786693 H\n0.632456 0.845764 0.661891 H\n0.183873 0.845764 0.213307 H\n0.367544 0.154236 0.338110 H\n0.394176 0.500000 0.894176 C\n0.605824 0.500000 0.105824 C\n0.237454 0.592152 0.354698 Cl\n0.762547 0.407848 0.645302 Cl\n0.428029 0.730279 0.935670 O\n0.205390 0.269721 0.697749 O\n0.571972 0.269721 0.064330 O\n0.794610 0.730279 0.302251 O\n0.807833 -0.000000 0.807833 O\n0.192168 -0.000000 0.192168 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ca",
"H",
"C",
"Cl",
"O"
],
"chemical_system": "C-Ca-Cl-H-O",
"density": 2.4259328155572826,
"density_atomic": 0.08496514734393705,
"volume": 188.31250813033196,
"volume_molar": 7.087777692684397,
"formula_full": "Ca2 H4 C2 Cl2 O6",
"formula_reduced": "CaH2CClO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 2.4127743734375,
"spacegroup": 12
},
{
"id": "jvasp-106316",
"created_at": "2022-09-04T14:36:33.539578Z",
"updated_at": "2022-09-04T14:36:33.539600Z",
"structure_string": "Zn1 Si1 Ni2\n1.0\n2.768776 0.000000 -0.000000\n0.000000 2.768776 -0.000000\n0.000000 0.000000 6.140949\nZn Si Ni\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Zn\n0.500001 0.500001 0.000000 Si\n0.000000 0.000000 0.782418 Ni\n0.000000 0.000000 0.217582 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Zn",
"density": 7.438340132300544,
"density_atomic": 0.08496672073427278,
"volume": 47.07725525279136,
"volume_molar": 7.087646443168973,
"formula_full": "Zn1 Si1 Ni2",
"formula_reduced": "ZnSiNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8236084499999998,
"spacegroup": 123
},
{
"id": "jvasp-39413",
"created_at": "2022-09-04T14:37:59.668903Z",
"updated_at": "2022-09-04T14:37:59.668932Z",
"structure_string": "Lu2 Fe17 C3\n1.0\n4.245148 2.450936 4.147516\n-4.245148 2.450936 4.147516\n-0.000000 -4.901875 4.147516\nLu Fe C\n2 17 3\ndirect\n0.342355 0.342355 0.342355 Lu\n0.657645 0.657645 0.657645 Lu\n0.000000 0.499999 0.000001 Fe\n0.499999 0.000000 0.000001 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.345726 0.851240 0.345724 Fe\n0.345726 0.345726 0.851238 Fe\n0.851240 0.345726 0.345724 Fe\n0.148762 0.654274 0.654276 Fe\n0.654275 0.654275 0.148761 Fe\n0.654274 0.148762 0.654276 Fe\n0.282282 0.999999 0.717719 Fe\n0.999999 0.717719 0.282282 Fe\n0.717719 0.282281 1.000000 Fe\n0.717719 0.999999 0.282282 Fe\n0.999999 0.282282 0.717719 Fe\n0.282281 0.717719 1.000000 Fe\n0.903390 0.903390 0.903388 Fe\n0.096612 0.096612 0.096612 Fe\n0.500001 0.500001 1.000000 C\n1.000000 0.500000 0.500000 C\n0.500000 1.000000 0.500000 C\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"Fe",
"C"
],
"chemical_system": "C-Fe-Lu",
"density": 8.563942781823595,
"density_atomic": 0.08496858315005966,
"volume": 258.91922854764647,
"volume_molar": 7.087491089929716,
"formula_full": "Lu2 Fe17 C3",
"formula_reduced": "Lu2Fe17C3",
"formula_anonymous": "A2B3C17",
"energy_above_hull": 4.565470227272726,
"spacegroup": 166
},
{
"id": "jvasp-16718",
"created_at": "2022-09-04T14:37:57.245138Z",
"updated_at": "2022-09-04T14:37:57.245164Z",
"structure_string": "Tm1 Fe2 B2\n1.0\n3.376781 -0.000000 -1.186779\n-0.417097 3.350922 -1.186779\n-0.054056 -0.061201 5.243614\nTm Fe B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.249999 0.750000 0.499999 Fe\n0.749999 0.250000 0.499999 Fe\n0.651752 0.651753 0.303507 B\n0.348245 0.348247 0.696491 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Fe",
"B"
],
"chemical_system": "B-Fe-Tm",
"density": 8.529378992578101,
"density_atomic": 0.08497231595797844,
"volume": 58.84269416020933,
"volume_molar": 7.087179738608211,
"formula_full": "Tm1 Fe2 B2",
"formula_reduced": "Tm(FeB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5558160833333328,
"spacegroup": 139
},
{
"id": "jvasp-48337",
"created_at": "2022-09-04T14:35:47.636254Z",
"updated_at": "2022-09-04T14:35:47.636284Z",
"structure_string": "Li2 Mn4 O4 F6\n1.0\n3.770927 -0.000833 0.002661\n-1.884215 4.809833 -0.072340\n-0.007566 -0.254889 10.385426\nLi Mn O F\n2 4 4 6\ndirect\n0.135885 0.274362 0.043149 Li\n0.863365 0.729265 0.956234 Li\n0.139321 0.281247 0.452116 Mn\n0.178888 0.360317 0.756270 Mn\n0.820365 0.643323 0.243117 Mn\n0.859887 0.722389 0.547272 Mn\n0.048546 0.099658 0.610770 O\n0.680203 0.363007 0.442497 O\n0.319013 0.640632 0.556896 O\n0.950675 0.903979 0.388618 O\n0.033781 0.070223 0.878456 F\n0.696708 0.395975 0.084527 F\n0.235485 0.473560 0.277602 F\n0.763752 0.530082 0.721788 F\n0.302542 0.607653 0.914863 F\n0.965583 0.933416 0.120932 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.630280763951114,
"density_atomic": 0.08497913595089311,
"volume": 188.28150958425746,
"volume_molar": 7.086610957635546,
"formula_full": "Li2 Mn4 O4 F6",
"formula_reduced": "LiMn2O2F3",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.6814565412823277,
"spacegroup": 12
}
]
}