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&page=4071",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4069",
"results": [
{
"id": "jvasp-102714",
"created_at": "2022-09-04T14:36:48.982834Z",
"updated_at": "2022-09-04T14:36:48.982854Z",
"structure_string": "Mg1 Zn1 S2\n1.0\n3.922301 0.000000 0.000000\n0.000000 3.922301 0.000000\n-0.000000 -0.000000 5.560296\nMg Zn S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n-0.000000 0.500000 0.239859 S\n0.500000 0.000000 0.760142 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"S"
],
"chemical_system": "Mg-S-Zn",
"density": 2.986413304149914,
"density_atomic": 0.04676061800614276,
"volume": 85.5420687441414,
"volume_molar": 12.8786594719704,
"formula_full": "Mg1 Zn1 S2",
"formula_reduced": "MgZnS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0301423624999999,
"spacegroup": 115
},
{
"id": "jvasp-43581",
"created_at": "2022-09-04T14:36:12.379466Z",
"updated_at": "2022-09-04T14:36:12.379491Z",
"structure_string": "Li4 Fe2 B4 O12\n1.0\n0.000000 5.356082 0.052129\n7.691359 0.000000 0.000000\n0.000000 -2.783538 -5.084594\nLi Fe B O\n4 2 4 12\ndirect\n0.609008 0.435872 0.800051 Li\n0.390990 0.935872 0.699948 Li\n0.609008 0.064128 0.300051 Li\n0.390991 0.564128 0.199948 Li\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.120888 0.258601 0.869182 B\n0.879110 0.758601 0.630817 B\n0.120888 0.241399 0.369182 B\n0.879111 0.741399 0.130817 B\n0.878271 0.264788 0.395323 O\n0.121728 0.764788 0.104677 O\n0.224105 0.081195 0.346475 O\n0.272760 0.394899 0.414897 O\n0.727238 0.605102 0.585102 O\n0.272760 0.105101 0.914896 O\n0.878271 0.235212 0.895322 O\n0.121728 0.735212 0.604676 O\n0.224104 0.418805 0.846475 O\n0.775894 0.581195 0.153524 O\n0.775894 0.918805 0.653524 O\n0.727239 0.894899 0.085103 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.986315586539296,
"density_atomic": 0.10559327373050069,
"volume": 208.3466041231875,
"volume_molar": 5.703148076808326,
"formula_full": "Li4 Fe2 B4 O12",
"formula_reduced": "Li2Fe(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.911670151515151,
"spacegroup": 14
},
{
"id": "jvasp-87880",
"created_at": "2022-09-04T14:36:08.470225Z",
"updated_at": "2022-09-04T14:36:08.470251Z",
"structure_string": "Ca12 Fe2 N10\n1.0\n6.214086 -0.000000 -0.000000\n-3.107042 5.381556 0.000000\n-0.000000 0.000000 12.183181\nCa Fe N\n12 2 10\ndirect\n0.603519 0.603519 0.879420 Ca\n0.000000 0.603519 0.379420 Ca\n0.396482 0.000000 0.879420 Ca\n0.603519 0.603519 0.620580 Ca\n0.000000 0.396482 0.620580 Ca\n0.000000 0.603519 0.120580 Ca\n0.396482 0.396482 0.120580 Ca\n0.603519 0.000000 0.379420 Ca\n0.396482 0.396482 0.379420 Ca\n0.396482 0.000000 0.620580 Ca\n0.000000 0.396482 0.879420 Ca\n0.603519 0.000000 0.120580 Ca\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.000001 0.711170 0.750000 N\n0.000000 0.288831 0.250000 N\n0.711170 0.711170 0.250000 N\n0.666668 0.333333 0.000000 N\n0.333334 0.666667 0.500000 N\n0.333334 0.666667 0.000000 N\n0.666668 0.333333 0.500000 N\n0.288831 0.000000 0.250000 N\n0.288831 0.288831 0.750000 N\n0.711170 0.000000 0.750000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"N"
],
"chemical_system": "Ca-Fe-N",
"density": 2.9862442067244523,
"density_atomic": 0.058906798769505705,
"volume": 407.42326015556773,
"volume_molar": 10.223167589812203,
"formula_full": "Ca12 Fe2 N10",
"formula_reduced": "Ca6FeN5",
"formula_anonymous": "AB5C6",
"energy_above_hull": 2.6205145225,
"spacegroup": 193
},
{
"id": "jvasp-92222",
"created_at": "2022-09-04T14:36:00.557902Z",
"updated_at": "2022-09-04T14:36:00.557927Z",
"structure_string": "Ti2 O2 F4\n1.0\n3.797015 -0.000000 0.000000\n0.000000 3.797015 0.000000\n0.000000 0.000000 7.857722\nTi O F\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500001 0.000000 0.000000 O\n0.000000 0.500001 0.500000 O\n0.500001 0.000000 0.500000 F\n0.000000 0.500001 0.000000 F\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"O",
"F"
],
"chemical_system": "F-O-Ti",
"density": 2.986174278382784,
"density_atomic": 0.07061690861726948,
"volume": 113.28731541277901,
"volume_molar": 8.527901996728408,
"formula_full": "Ti2 O2 F4",
"formula_reduced": "TiOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6606305995833333,
"spacegroup": 131
},
{
"id": "jvasp-42526",
"created_at": "2022-09-04T14:38:30.706142Z",
"updated_at": "2022-09-04T14:38:30.706168Z",
"structure_string": "Na12 Mn4 O12\n1.0\n0.000000 5.777126 0.034066\n12.391761 0.000000 0.000000\n0.000000 -3.278803 -5.360747\nNa Mn O\n12 4 12\ndirect\n0.427805 0.777237 0.138151 Na\n0.467307 0.515138 0.245592 Na\n0.532693 0.015138 0.254407 Na\n0.572196 0.277237 0.361848 Na\n0.948416 0.399415 0.289965 Na\n0.051585 0.899415 0.210035 Na\n0.948416 0.100585 0.789965 Na\n0.051585 0.600585 0.710035 Na\n0.427805 0.722763 0.638151 Na\n0.467308 0.984862 0.745593 Na\n0.532694 0.484862 0.754407 Na\n0.572196 0.222763 0.861849 Na\n0.098630 0.339870 0.828381 Mn\n0.901371 0.839870 0.671619 Mn\n0.098630 0.160130 0.328380 Mn\n0.901371 0.660130 0.171619 Mn\n0.531145 0.629860 0.990905 O\n0.814708 0.066797 0.119253 O\n0.059529 0.264121 0.072937 O\n0.531144 0.870140 0.490905 O\n0.940472 0.764121 0.427063 O\n0.814709 0.433203 0.619253 O\n0.185292 0.566797 0.380747 O\n0.059529 0.235879 0.572937 O\n0.468857 0.129860 0.509095 O\n0.940472 0.735879 0.927063 O\n0.185293 0.933203 0.880747 O\n0.468856 0.370140 0.009095 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.9860562007768485,
"density_atomic": 0.07322460110936779,
"volume": 382.385148922551,
"volume_molar": 8.224204254804159,
"formula_full": "Na12 Mn4 O12",
"formula_reduced": "Na3MnO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.2859321059113302,
"spacegroup": 14
},
{
"id": "jvasp-116484",
"created_at": "2022-09-04T14:38:42.938285Z",
"updated_at": "2022-09-04T14:38:42.938310Z",
"structure_string": "Li4 Mn2 Sn2 S8\n1.0\n6.828645 0.000000 0.000000\n-0.000000 5.035991 4.041024\n-0.000000 0.033445 10.240983\nLi Mn Sn S\n4 2 2 8\ndirect\n0.338507 0.165151 0.225840 Li\n0.661492 0.165151 0.725840 Li\n0.833187 0.913454 0.479125 Li\n0.166813 0.913455 0.979125 Li\n0.169762 0.418686 0.475933 Mn\n0.830237 0.418687 0.975932 Mn\n0.669454 0.667216 0.227192 Sn\n0.330545 0.667217 0.727191 Sn\n0.333538 0.539728 0.229344 S\n0.666461 0.539729 0.729343 S\n0.839020 0.293701 0.476576 S\n0.160979 0.293701 0.976575 S\n0.832151 0.789869 0.975747 S\n0.167849 0.789869 0.475748 S\n0.676169 0.047126 0.225341 S\n0.323831 0.047127 0.725340 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"S"
],
"chemical_system": "Li-Mn-S-Sn",
"density": 2.985767563867398,
"density_atomic": 0.045551056056793715,
"volume": 351.25420539209824,
"volume_molar": 13.22063917133229,
"formula_full": "Li4 Mn2 Sn2 S8",
"formula_reduced": "Li2MnSnS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.8666848676724137,
"spacegroup": 7
},
{
"id": "jvasp-58025",
"created_at": "2022-09-04T14:37:32.132330Z",
"updated_at": "2022-09-04T14:37:32.132353Z",
"structure_string": "Mg2 Ti4 S8\n1.0\n6.471436 0.000000 -3.397587\n-1.783776 6.220744 -3.397587\n-0.298454 -0.396064 7.293446\nMg Ti S\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n0.000000 0.000000 0.500001 Ti\n-0.000000 0.500000 -0.000001 Ti\n0.500001 0.000000 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.759088 0.777140 0.518177 S\n0.758966 0.240912 0.981824 S\n0.222860 0.240912 0.981824 S\n0.240912 0.222860 0.481823 S\n0.240912 0.758965 0.481823 S\n0.241034 0.759088 0.018176 S\n0.759089 0.241035 0.518178 S\n0.777140 0.759088 0.018176 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"S"
],
"chemical_system": "Mg-S-Ti",
"density": 2.985628052350964,
"density_atomic": 0.050688527445269346,
"volume": 276.1966209240626,
"volume_molar": 11.880678061721902,
"formula_full": "Mg2 Ti4 S8",
"formula_reduced": "Mg(TiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1325922452380954,
"spacegroup": 227
},
{
"id": "jvasp-91683",
"created_at": "2022-09-04T14:35:45.761605Z",
"updated_at": "2022-09-04T14:35:45.761630Z",
"structure_string": "K4 Co4\n1.0\n0.000000 -0.000000 3.644352\n10.718373 0.000000 0.000000\n0.000000 5.583650 -0.000000\nK Co\n4 4\ndirect\n0.250000 0.399699 0.499881 K\n0.750000 0.100300 0.500119 K\n0.750000 0.899699 0.000119 K\n0.250000 0.600300 -0.000119 K\n0.250000 0.804663 0.500142 Co\n0.750000 0.695337 0.499858 Co\n0.750000 0.304663 -0.000142 Co\n0.250000 0.195337 0.000142 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Co"
],
"chemical_system": "Co-K",
"density": 2.9854330934455913,
"density_atomic": 0.036679433124027404,
"volume": 218.10587892536108,
"volume_molar": 16.418303793400526,
"formula_full": "K4 Co4",
"formula_reduced": "KCo",
"formula_anonymous": "AB",
"energy_above_hull": 1.13991945,
"spacegroup": 74
},
{
"id": "jvasp-114333",
"created_at": "2022-09-04T14:38:41.435406Z",
"updated_at": "2022-09-04T14:38:41.435432Z",
"structure_string": "Li2 Y2 P2\n1.0\n4.629891 -0.000000 -0.000000\n-0.000000 4.629891 -0.000000\n-0.000000 -0.000000 6.581801\nLi Y P\n2 2 2\ndirect\n0.499999 0.000000 0.605770 Li\n0.000000 0.499999 0.394230 Li\n0.499999 0.499999 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.499999 0.768667 P\n0.499999 0.000000 0.231332 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Y",
"P"
],
"chemical_system": "Li-P-Y",
"density": 2.9852634043772595,
"density_atomic": 0.04252702178976085,
"volume": 141.08676666007702,
"volume_molar": 14.160739470004314,
"formula_full": "Li2 Y2 P2",
"formula_reduced": "LiYP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7085669833333337,
"spacegroup": 129
},
{
"id": "jvasp-21387",
"created_at": "2022-09-04T14:38:32.119918Z",
"updated_at": "2022-09-04T14:38:32.119952Z",
"structure_string": "K2 Na1 Al1 F6\n1.0\n4.983248 -0.000000 2.877080\n1.661083 4.698252 2.877080\n-0.000000 -0.000000 5.754160\nK Na Al F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.225059 0.774940 0.774941 F\n0.225059 0.774940 0.225060 F\n0.774940 0.225060 0.774940 F\n0.225060 0.225060 0.774940 F\n0.774940 0.225060 0.225060 F\n0.774940 0.774940 0.225060 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Al",
"F"
],
"chemical_system": "Al-F-K-Na",
"density": 2.9848173674096476,
"density_atomic": 0.07422825616773876,
"volume": 134.71958680266317,
"volume_molar": 8.113003148546758,
"formula_full": "K2 Na1 Al1 F6",
"formula_reduced": "K2NaAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-117549",
"created_at": "2022-09-04T14:38:53.130355Z",
"updated_at": "2022-09-04T14:38:53.130386Z",
"structure_string": "Ba1 C2\n1.0\n4.411148 0.000000 0.000000\n0.000000 4.457786 0.000000\n0.000000 0.000000 4.565016\nBa C\n1 2\ndirect\n0.466644 0.000000 0.000000 Ba\n-0.033322 0.000000 0.637830 C\n-0.033322 0.000000 0.362171 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 2.984699490123842,
"density_atomic": 0.03342012773979327,
"volume": 89.76626371262809,
"volume_molar": 18.01950251922422,
"formula_full": "Ba1 C2",
"formula_reduced": "BaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.6908286566666666,
"spacegroup": 47
},
{
"id": "jvasp-90487",
"created_at": "2022-09-04T14:36:13.892646Z",
"updated_at": "2022-09-04T14:36:13.892664Z",
"structure_string": "P3 N3 O3\n1.0\n4.728522 0.000000 -0.000000\n-2.364261 4.095021 -0.000000\n0.000000 0.000000 5.256526\nP N O\n3 3 3\ndirect\n0.986349 0.457233 0.327858 P\n0.542767 0.529116 0.994526 P\n0.470884 0.013651 0.661192 P\n0.387045 0.268829 0.777169 N\n0.881784 0.612955 0.110502 N\n0.731170 0.118215 0.443836 N\n0.137635 0.712704 0.561640 O\n0.287296 0.424931 0.228307 O\n0.575069 0.862365 0.894974 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"P",
"N",
"O"
],
"chemical_system": "N-O-P",
"density": 2.98453327513247,
"density_atomic": 0.08842236880740754,
"volume": 101.78419919514788,
"volume_molar": 6.810653052189548,
"formula_full": "P3 N3 O3",
"formula_reduced": "PNO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.73589075,
"spacegroup": 145
}
]
}