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=4110",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4108",
"results": [
{
"id": "jvasp-35164",
"created_at": "2022-09-04T14:37:30.115888Z",
"updated_at": "2022-09-04T14:37:30.115925Z",
"structure_string": "Li4 Ca2 Mg1 Si2 N6\n1.0\n-0.022028 0.000000 -5.621906\n-2.930408 -4.903149 0.241172\n-2.930408 4.903149 0.241172\nLi Ca Mg Si N\n4 2 1 2 6\ndirect\n0.625653 0.988358 0.332416 Li\n0.625653 0.332416 0.988358 Li\n0.374349 0.011643 0.667585 Li\n0.374349 0.667585 0.011643 Li\n0.000000 0.322235 0.677765 Ca\n0.000000 0.677765 0.322235 Ca\n0.000000 0.000000 0.000000 Mg\n0.367998 0.319813 0.319813 Si\n0.632003 0.680188 0.680188 Si\n0.311345 0.623190 0.623190 N\n0.688656 0.376811 0.376811 N\n0.253009 0.031066 0.320787 N\n0.253009 0.320787 0.031066 N\n0.746992 0.968935 0.679214 N\n0.746992 0.679214 0.968935 N\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Mg",
"Si",
"N"
],
"chemical_system": "Ca-Li-Mg-N-Si",
"density": 2.799349534155022,
"density_atomic": 0.0928184852285476,
"volume": 161.6057400965486,
"volume_molar": 6.488083429902612,
"formula_full": "Li4 Ca2 Mg1 Si2 N6",
"formula_reduced": "Li4Ca2Mg(SiN3)2",
"formula_anonymous": "AB2C2D4E6",
"energy_above_hull": 3.091970439333333,
"spacegroup": 12
},
{
"id": "jvasp-100800",
"created_at": "2022-09-04T14:36:40.171478Z",
"updated_at": "2022-09-04T14:36:40.171500Z",
"structure_string": "Ta1 Ti1 C2\n1.0\n2.994830 0.001282 4.493050\n1.361133 2.667644 4.493050\n0.002093 0.001282 5.399676\nTa Ti C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.499998 0.500002 Ti\n0.751225 0.751224 0.751229 C\n0.248774 0.248773 0.248775 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"C"
],
"chemical_system": "C-Ta-Ti",
"density": 9.74233352525937,
"density_atomic": 0.09281848924569519,
"volume": 43.09486216061759,
"volume_molar": 6.488083149100921,
"formula_full": "Ta1 Ti1 C2",
"formula_reduced": "TaTiC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.434629383333332,
"spacegroup": 166
},
{
"id": "jvasp-22193",
"created_at": "2022-09-04T14:37:33.267651Z",
"updated_at": "2022-09-04T14:37:33.267678Z",
"structure_string": "Dy8 B16 C8\n1.0\n6.783936 -0.000000 0.000000\n0.000000 6.783936 -0.000000\n-0.000000 0.000000 7.491189\nDy B C\n8 16 8\ndirect\n0.309346 0.809347 0.750000 Dy\n0.190654 0.309346 0.250000 Dy\n0.809347 0.690654 0.250000 Dy\n0.690654 0.190654 0.750000 Dy\n0.690654 0.190654 0.250000 Dy\n0.809347 0.690654 0.750000 Dy\n0.190654 0.309346 0.750000 Dy\n0.309346 0.809347 0.250000 Dy\n0.905282 0.403079 0.500000 B\n0.094719 0.596922 0.500000 B\n0.903079 0.405282 0.000000 B\n0.403079 0.094719 0.000000 B\n0.596922 0.905282 0.000000 B\n0.594719 0.903079 0.500000 B\n0.405282 0.096922 0.500000 B\n0.096922 0.594719 0.000000 B\n0.465550 0.347794 0.500000 B\n0.965550 0.152207 0.500000 B\n0.034450 0.847794 0.500000 B\n0.652207 0.465550 0.000000 B\n0.347794 0.534451 0.000000 B\n0.847794 0.965550 0.000000 B\n0.534451 0.652207 0.500000 B\n0.152207 0.034450 0.000000 B\n0.177326 0.040592 0.500000 C\n0.677327 0.459408 0.500000 C\n0.322674 0.540593 0.500000 C\n0.959408 0.177326 0.000000 C\n0.040592 0.822674 0.000000 C\n0.540593 0.677327 0.000000 C\n0.822674 0.959408 0.500000 C\n0.459408 0.322674 0.000000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"B",
"C"
],
"chemical_system": "B-C-Dy",
"density": 7.557442522746919,
"density_atomic": 0.09281875520669305,
"volume": 344.75790941971735,
"volume_molar": 6.488064558277713,
"formula_full": "Dy8 B16 C8",
"formula_reduced": "DyB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9421879166666662,
"spacegroup": 135
},
{
"id": "jvasp-21368",
"created_at": "2022-09-04T14:37:59.226791Z",
"updated_at": "2022-09-04T14:37:59.226802Z",
"structure_string": "Ca1 Mg1 C2 O6\n1.0\n4.410458 -0.021245 4.051422\n1.766542 4.041278 4.051422\n-0.032644 -0.021245 5.988748\nCa Mg C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 Mg\n0.757108 0.757106 0.757107 C\n0.242893 0.242892 0.242893 C\n0.721926 0.507632 0.038710 O\n0.038710 0.721925 0.507633 O\n0.492368 0.961289 0.278074 O\n0.278076 0.492366 0.961290 O\n0.961291 0.278073 0.492367 O\n0.507634 0.038709 0.721926 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"C",
"O"
],
"chemical_system": "C-Ca-Mg-O",
"density": 2.8422720069779297,
"density_atomic": 0.09282260223461024,
"volume": 107.73238154565932,
"volume_molar": 6.4877956607798675,
"formula_full": "Ca1 Mg1 C2 O6",
"formula_reduced": "CaMg(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.792422047,
"spacegroup": 148
},
{
"id": "jvasp-117449",
"created_at": "2022-09-04T14:38:26.628747Z",
"updated_at": "2022-09-04T14:38:26.628770Z",
"structure_string": "Mn8 O8 F8\n1.0\n6.131348 -0.000000 0.000000\n0.000000 4.606554 0.013738\n-0.000000 -0.019858 9.153270\nMn O F\n8 8 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.751797 0.469362 0.766204 Mn\n0.251797 0.530636 0.733796 Mn\n0.748203 0.469362 0.266204 Mn\n0.248203 0.530637 0.233796 Mn\n0.753762 0.166043 0.407931 O\n0.746238 0.166043 0.907931 O\n-0.001395 0.321837 0.154411 O\n0.501395 0.321837 0.654411 O\n0.498605 0.678162 0.345589 O\n0.001395 0.678162 0.845589 O\n0.253762 0.833956 0.092069 O\n0.246238 0.833956 0.592069 O\n0.745182 0.788844 0.621893 F\n0.754819 0.788844 0.121893 F\n0.499191 0.690725 0.867799 F\n0.000809 0.690725 0.367799 F\n-0.000809 0.309274 0.632201 F\n0.500809 0.309274 0.132201 F\n0.245182 0.211154 0.878108 F\n0.254818 0.211154 0.378108 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.621263193255057,
"density_atomic": 0.09283249562460831,
"volume": 258.5301605706053,
"volume_molar": 6.487104240256613,
"formula_full": "Mn8 O8 F8",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.227123674626437,
"spacegroup": 14
},
{
"id": "jvasp-119722",
"created_at": "2022-09-04T14:38:52.514283Z",
"updated_at": "2022-09-04T14:38:52.514309Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n5.755915 -0.019910 -0.000069\n0.019749 6.058969 -0.000005\n0.000104 0.000006 8.648422\nLi Mn O F\n4 8 12 4\ndirect\n0.969146 -0.000031 0.024198 Li\n0.469146 -0.000031 0.225802 Li\n0.530855 0.500032 0.524198 Li\n0.030854 0.500032 0.725802 Li\n0.500000 0.750001 0.875001 Mn\n0.500000 0.250000 0.875000 Mn\n0.251430 0.000021 0.615482 Mn\n0.748570 0.499980 0.134518 Mn\n0.000000 0.250000 0.375000 Mn\n0.248569 0.499980 0.115483 Mn\n0.751431 0.000021 0.634517 Mn\n0.000000 0.750000 0.375000 Mn\n0.998516 0.214104 0.599649 O\n0.998450 0.785933 0.599647 O\n0.498450 0.785933 0.650353 O\n0.498515 0.214105 0.650351 O\n0.001485 0.285896 0.150352 O\n0.501551 0.714068 0.099647 O\n0.200525 0.000037 0.364506 O\n0.501485 0.285896 0.099649 O\n0.700525 0.000038 0.885493 O\n0.299474 0.499964 0.864506 O\n0.799474 0.499963 0.385494 O\n0.001550 0.714068 0.150354 O\n0.214754 -0.000055 0.881667 F\n0.714754 -0.000056 0.368332 F\n0.285246 0.500056 0.381668 F\n0.785246 0.500057 0.868332 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 4.047921464664339,
"density_atomic": 0.09283316547736263,
"volume": 301.6163442883761,
"volume_molar": 6.487057431504368,
"formula_full": "Li4 Mn8 O12 F4",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.3467907521798037,
"spacegroup": 62
},
{
"id": "jvasp-111945",
"created_at": "2022-09-04T14:38:50.005669Z",
"updated_at": "2022-09-04T14:38:50.005687Z",
"structure_string": "Li4 Ni3 Sb1 P4 O16\n1.0\n6.196045 0.000000 0.000000\n0.000000 4.746154 0.082235\n0.000000 0.061421 10.256820\nLi Ni Sb P O\n4 3 1 4 16\ndirect\n0.249143 0.002079 0.024101 Li\n0.750856 0.002079 0.024101 Li\n0.743776 0.488107 0.476598 Li\n0.256223 0.488107 0.476598 Li\n0.500000 0.973795 0.274188 Ni\n0.500000 0.541289 0.784489 Ni\n0.000000 0.462463 0.221752 Ni\n0.000000 0.023449 0.716432 Sb\n0.500000 0.091852 0.582361 P\n0.500000 0.422830 0.096296 P\n0.000000 0.577927 0.922810 P\n0.000000 0.907395 0.396669 P\n0.697710 0.237530 0.648384 O\n0.000000 0.231092 0.400970 O\n0.000000 0.256225 0.930991 O\n0.299392 0.285192 0.166736 O\n0.700608 0.285192 0.166736 O\n0.500000 0.308607 0.954909 O\n0.000000 0.715508 0.057653 O\n0.203386 0.778195 0.332541 O\n0.197354 0.704153 0.842454 O\n0.500000 0.747972 0.099384 O\n0.500000 0.770944 0.599116 O\n0.796613 0.778195 0.332541 O\n0.302289 0.237530 0.648384 O\n0.000000 0.773018 0.541040 O\n0.802645 0.704153 0.842454 O\n0.500000 0.205105 0.439317 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P-Sb",
"density": 3.8843261045720223,
"density_atomic": 0.09283975204291742,
"volume": 301.59494595651574,
"volume_molar": 6.4865972037668955,
"formula_full": "Li4 Ni3 Sb1 P4 O16",
"formula_reduced": "Li4Ni3Sb(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.5874018321428567,
"spacegroup": 6
},
{
"id": "jvasp-32125",
"created_at": "2022-09-04T14:38:05.408032Z",
"updated_at": "2022-09-04T14:38:05.408060Z",
"structure_string": "Cu2 H12 N4 Cl4\n1.0\n0.000000 -0.000000 -5.771194\n3.810615 -5.387542 0.000000\n-3.810615 -5.387542 0.000000\nCu H N Cl\n2 12 4 4\ndirect\n0.750000 0.110075 0.110075 Cu\n0.250000 0.889924 0.889924 Cu\n0.894343 0.463082 0.841263 H\n0.605656 0.463082 0.841263 H\n0.750000 0.323346 0.713863 H\n0.394342 0.158737 0.536918 H\n0.105657 0.158737 0.536918 H\n0.250000 0.286136 0.676654 H\n0.605656 0.841263 0.463082 H\n0.750000 0.713863 0.323346 H\n0.250000 0.676654 0.286136 H\n0.394342 0.536918 0.158737 H\n0.105657 0.536918 0.158737 H\n0.894343 0.841263 0.463082 H\n0.250000 0.631313 0.150878 N\n0.750000 0.849122 0.368688 N\n0.250000 0.150878 0.631313 N\n0.750000 0.368688 0.849122 N\n0.250000 0.664898 0.664898 Cl\n0.250000 0.111926 0.111926 Cl\n0.750000 0.335103 0.335103 Cl\n0.750000 0.888073 0.888073 Cl\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cu",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-Cu-H-N",
"density": 2.361735164107382,
"density_atomic": 0.09284131222789972,
"volume": 236.9634753330079,
"volume_molar": 6.486488197428007,
"formula_full": "Cu2 H12 N4 Cl4",
"formula_reduced": "CuH6(NCl)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.764605916818182,
"spacegroup": 63
},
{
"id": "jvasp-29283",
"created_at": "2022-09-04T14:38:05.966299Z",
"updated_at": "2022-09-04T14:38:05.966313Z",
"structure_string": "Ni1 O2\n1.0\n4.928775 -0.467752 -0.277040\n4.383389 2.301633 -0.277040\n4.383389 0.863238 2.151531\nNi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.599564 0.599564 0.599564 O\n0.400436 0.400436 0.400436 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.660695499283392,
"density_atomic": 0.09284380910116596,
"volume": 32.31233217425506,
"volume_molar": 6.486313754574695,
"formula_full": "Ni1 O2",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4650731333333338,
"spacegroup": 166
},
{
"id": "jvasp-103823",
"created_at": "2022-09-04T14:36:56.287580Z",
"updated_at": "2022-09-04T14:36:56.287598Z",
"structure_string": "H6 C11 S1 O2\n1.0\n3.704150 0.016872 0.625195\n1.560690 5.697739 0.531921\n0.139290 0.187943 10.251678\nH C S O\n6 11 1 2\ndirect\n0.592024 0.134657 0.216726 H\n0.473041 0.224903 0.837617 H\n0.728010 0.183618 0.582978 H\n0.875403 0.907101 0.389654 H\n0.203868 0.886889 0.156857 H\n0.251573 0.152051 0.446642 H\n0.238915 0.313467 0.383503 C\n0.433270 0.302682 0.255862 C\n0.034494 0.531186 0.435513 C\n0.423754 0.508247 0.172678 C\n0.032150 0.736832 0.352177 C\n0.601467 0.562784 0.812742 C\n0.639161 0.468427 0.038730 C\n0.842893 0.523488 0.572099 C\n0.722524 0.333647 0.635539 C\n0.584217 0.354112 0.771801 C\n0.217163 0.726306 0.221142 C\n0.779201 0.736481 0.684786 S\n0.906305 0.299890 0.012125 O\n0.493679 0.636939 0.940565 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5589114939104245,
"density_atomic": 0.09284502176051135,
"volume": 215.4127342614977,
"volume_molar": 6.486229036096068,
"formula_full": "H6 C11 S1 O2",
"formula_reduced": "H6C11SO2",
"formula_anonymous": "AB2C6D11",
"energy_above_hull": 5.591468350000001,
"spacegroup": 1
},
{
"id": "jvasp-23506",
"created_at": "2022-09-04T14:37:40.592122Z",
"updated_at": "2022-09-04T14:37:40.592141Z",
"structure_string": "Ce2 B4 C4\n1.0\n5.369971 0.000000 0.000000\n0.000000 5.369971 0.000000\n0.000000 0.000000 3.734915\nCe B C\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.137051 0.637051 0.500001 B\n0.637051 0.862949 0.500001 B\n0.862949 0.362949 0.500001 B\n0.362949 0.137051 0.500001 B\n0.838276 0.661724 0.500001 C\n0.338276 0.838276 0.500001 C\n0.661724 0.161724 0.500001 C\n0.161724 0.338276 0.500001 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"B",
"C"
],
"chemical_system": "B-C-Ce",
"density": 5.728030075193747,
"density_atomic": 0.09284860793653206,
"volume": 107.70220709001515,
"volume_molar": 6.485978512587413,
"formula_full": "Ce2 B4 C4",
"formula_reduced": "Ce(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.843962133333333,
"spacegroup": 127
},
{
"id": "jvasp-49551",
"created_at": "2022-09-04T14:37:15.077390Z",
"updated_at": "2022-09-04T14:37:15.077410Z",
"structure_string": "Zn4 Cr8 O16\n1.0\n5.066235 0.000000 0.000000\n0.000000 5.856329 0.000000\n0.000000 0.000000 10.163358\nZn Cr O\n4 8 16\ndirect\n0.860409 0.500000 0.500000 Zn\n0.139592 0.000000 0.000000 Zn\n0.540351 0.500000 0.000000 Zn\n0.459650 0.000000 0.500000 Zn\n0.000000 0.750000 0.750000 Cr\n0.000000 0.250000 0.250000 Cr\n0.000000 0.750000 0.250000 Cr\n0.000000 0.250000 0.750000 Cr\n0.490227 0.500000 0.264207 Cr\n0.509774 0.000000 0.764207 Cr\n0.509774 0.000000 0.235793 Cr\n0.490227 0.500000 0.735793 Cr\n0.666066 0.752388 0.359029 O\n0.333935 0.252388 0.859029 O\n0.333935 0.747612 0.140971 O\n0.333935 0.747612 0.859029 O\n0.333935 0.252388 0.140971 O\n0.666066 0.247612 0.640971 O\n0.810163 0.500000 0.846548 O\n0.855114 0.000000 0.855968 O\n0.189838 0.000000 0.653452 O\n0.189838 0.000000 0.346548 O\n0.144887 0.500000 0.644032 O\n0.144887 0.500000 0.355968 O\n0.666066 0.247612 0.359029 O\n0.855114 0.000000 0.144032 O\n0.810163 0.500000 0.153452 O\n0.666066 0.752388 0.640971 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 5.141143028465342,
"density_atomic": 0.0928560082433467,
"volume": 301.5421460571589,
"volume_molar": 6.485461602245322,
"formula_full": "Zn4 Cr8 O16",
"formula_reduced": "ZnCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.613161314285714,
"spacegroup": 59
}
]
}