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=updated_at&page=3488",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3486",
"results": [
{
"id": "jvasp-17943",
"created_at": "2022-09-04T14:38:10.506362Z",
"updated_at": "2022-09-04T14:38:10.506384Z",
"structure_string": "U1 Ge2 Ir2\n1.0\n3.872796 -0.000000 -1.466640\n-0.555422 3.832760 -1.466640\n0.045168 0.052185 5.965823\nU Ge Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.617611 0.617610 0.235219 Ge\n0.382392 0.382391 0.764781 Ge\n0.750001 0.250001 0.500000 Ir\n0.250001 0.750001 0.500000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-U",
"density": 14.300808952849014,
"density_atomic": 0.05608745024144002,
"volume": 89.14650208694577,
"volume_molar": 10.737055676584426,
"formula_full": "U1 Ge2 Ir2",
"formula_reduced": "U(GeIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.50314002,
"spacegroup": 139
},
{
"id": "jvasp-18168",
"created_at": "2022-09-04T14:38:10.513626Z",
"updated_at": "2022-09-04T14:38:10.513642Z",
"structure_string": "Dy3 In3 Au3\n1.0\n3.887875 -6.733997 -0.000000\n3.887875 6.733997 -0.000000\n0.000000 0.000000 3.926723\nDy In Au\n3 3 3\ndirect\n-0.000000 0.402193 0.500000 Dy\n0.597806 0.597806 0.500000 Dy\n0.402193 -0.000000 0.500000 Dy\n0.263789 0.263789 0.000000 In\n0.736210 -0.000001 0.000000 In\n-0.000001 0.736210 0.000000 In\n0.333332 0.666666 0.000000 Au\n0.666666 0.333332 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"In",
"Au"
],
"chemical_system": "Au-Dy-In",
"density": 11.491160042909545,
"density_atomic": 0.0437720650139917,
"volume": 205.6105874174124,
"volume_molar": 13.757954435266027,
"formula_full": "Dy3 In3 Au3",
"formula_reduced": "DyInAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1417080133333332,
"spacegroup": 189
},
{
"id": "jvasp-40450",
"created_at": "2022-09-04T14:38:10.517803Z",
"updated_at": "2022-09-04T14:38:10.517822Z",
"structure_string": "Li1 Tm1 Pd2\n1.0\n0.000003 3.274269 3.274263\n3.274265 0.000004 3.274262\n3.274265 3.274267 0.000004\nLi Tm Pd\n1 1 2\ndirect\n0.250000 0.250001 0.250002 Li\n0.749998 0.750001 0.750002 Tm\n0.000000 0.000000 0.000000 Pd\n0.499999 0.500000 0.500002 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tm",
"Pd"
],
"chemical_system": "Li-Pd-Tm",
"density": 9.194112681964821,
"density_atomic": 0.05697563597084594,
"volume": 70.20544715019545,
"volume_molar": 10.569677121430448,
"formula_full": "Li1 Tm1 Pd2",
"formula_reduced": "LiTmPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1482589125,
"spacegroup": 225
},
{
"id": "jvasp-44740",
"created_at": "2022-09-04T14:38:10.525073Z",
"updated_at": "2022-09-04T14:38:10.525088Z",
"structure_string": "Li3 Fe1 O1 F4\n1.0\n3.699352 0.000376 0.000232\n-1.849117 -4.831234 0.016401\n-1.849461 0.238085 -4.941144\nLi Fe O F\n3 1 1 4\ndirect\n0.574101 0.770566 0.441612 Li\n0.396756 0.243295 0.614189 Li\n0.756941 0.429226 0.148634 Li\n0.963525 0.997026 0.994019 Fe\n0.480723 0.028191 0.997231 O\n0.034224 0.790923 0.341512 F\n0.276398 0.372403 0.244364 F\n0.672160 0.608410 0.799885 F\n0.850031 0.144740 0.619301 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.172132058221911,
"density_atomic": 0.1019365584734009,
"volume": 88.29020848637381,
"volume_molar": 5.907734035940996,
"formula_full": "Li3 Fe1 O1 F4",
"formula_reduced": "Li3FeOF4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.67477557,
"spacegroup": 8
},
{
"id": "jvasp-43068",
"created_at": "2022-09-04T14:38:10.527483Z",
"updated_at": "2022-09-04T14:38:10.527504Z",
"structure_string": "Li2 Cr3 Fe1 O8\n1.0\n5.730166 -0.047733 -0.033753\n2.823745 4.986336 -0.033753\n2.823745 1.630290 4.712413\nLi Cr Fe O\n2 3 1 8\ndirect\n0.124553 0.124553 0.124552 Li\n0.875449 0.875449 0.875448 Li\n0.000001 0.500000 0.500000 Cr\n0.500001 0.000000 0.500000 Cr\n0.500000 0.500001 0.000001 Cr\n0.500001 0.500001 0.500000 Fe\n0.261656 0.261656 0.261656 O\n0.263677 0.263677 0.713212 O\n0.263677 0.713212 0.263677 O\n0.713212 0.263677 0.263677 O\n0.286789 0.736324 0.736324 O\n0.736325 0.286789 0.736324 O\n0.736324 0.736324 0.286789 O\n0.738345 0.738345 0.738344 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.321277722290464,
"density_atomic": 0.10300140878472613,
"volume": 135.92047104190706,
"volume_molar": 5.8466586341419164,
"formula_full": "Li2 Cr3 Fe1 O8",
"formula_reduced": "Li2Cr3FeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.250488978571429,
"spacegroup": 166
},
{
"id": "jvasp-37080",
"created_at": "2022-09-04T14:38:10.527499Z",
"updated_at": "2022-09-04T14:38:10.527524Z",
"structure_string": "Sm1 Tl1 S2\n1.0\n-2.053212 -3.556268 0.000000\n-4.106424 -0.000000 0.000000\n-2.053212 -1.185423 -7.460568\nSm Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.499999 0.500000 Tl\n0.734551 0.734550 0.796347 S\n0.265448 0.265448 0.203654 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Tl",
"S"
],
"chemical_system": "S-Sm-Tl",
"density": 6.384128371265826,
"density_atomic": 0.03671384134052804,
"volume": 108.9507350347576,
"volume_molar": 16.402916557119344,
"formula_full": "Sm1 Tl1 S2",
"formula_reduced": "SmTlS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7696828687499999,
"spacegroup": 166
},
{
"id": "jvasp-108749",
"created_at": "2022-09-04T14:38:10.533946Z",
"updated_at": "2022-09-04T14:38:10.533975Z",
"structure_string": "Mo1 Pd4\n1.0\n2.765218 0.001792 11.168278\n1.363559 2.405647 11.168278\n0.003073 0.001792 11.505514\nMo Pd\n1 4\ndirect\n0.000000 0.000000 0.000000 Mo\n0.601667 0.601667 0.601667 Pd\n0.200422 0.200422 0.200422 Pd\n0.799578 0.799578 0.799578 Pd\n0.398333 0.398333 0.398333 Pd\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mo",
"Pd"
],
"chemical_system": "Mo-Pd",
"density": 11.33766417714357,
"density_atomic": 0.06544707793792724,
"volume": 76.39760486697679,
"volume_molar": 9.201542604715906,
"formula_full": "Mo1 Pd4",
"formula_reduced": "MoPd4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.68364374,
"spacegroup": 166
},
{
"id": "jvasp-16302",
"created_at": "2022-09-04T14:38:10.535206Z",
"updated_at": "2022-09-04T14:38:10.535232Z",
"structure_string": "Au2 Se2\n1.0\n2.072073 -3.588934 0.000000\n2.072073 3.588934 0.000000\n0.000000 -0.000000 5.801239\nAu Se\n2 2\ndirect\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.666666 0.333333 0.750000 Se\n0.333333 0.666666 0.250000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Au",
"Se"
],
"chemical_system": "Au-Se",
"density": 10.620655862456752,
"density_atomic": 0.04635949689160718,
"volume": 86.28221331548038,
"volume_molar": 12.990090841754228,
"formula_full": "Au2 Se2",
"formula_reduced": "AuSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6819804683333333,
"spacegroup": 194
},
{
"id": "jvasp-47093",
"created_at": "2022-09-04T14:38:10.535215Z",
"updated_at": "2022-09-04T14:38:10.535241Z",
"structure_string": "Li3 V3 O5 F3\n1.0\n-0.004083 4.142378 4.142378\n4.150464 -0.001952 4.140386\n4.150464 4.140386 -0.001952\nLi V O F\n3 3 5 3\ndirect\n0.266296 0.249528 0.249528 Li\n0.132758 0.620795 0.620795 Li\n0.622136 0.622577 0.622577 Li\n0.986250 0.007305 0.007305 V\n0.619451 0.622697 0.110411 V\n0.619451 0.110411 0.622697 V\n0.408301 0.381360 0.381360 O\n0.864589 0.887307 0.382038 O\n0.864589 0.382038 0.887307 O\n0.849818 0.882246 0.882246 O\n0.376545 0.877024 0.877024 O\n0.861604 0.378554 0.378554 F\n0.389118 0.854069 0.374087 F\n0.389118 0.374087 0.854069 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.619685189614866,
"density_atomic": 0.09824099840966835,
"volume": 142.50669503194092,
"volume_molar": 6.129966976605292,
"formula_full": "Li3 V3 O5 F3",
"formula_reduced": "Li3V3O5F3",
"formula_anonymous": "A3B3C3D5",
"energy_above_hull": 2.1701286391071437,
"spacegroup": 8
},
{
"id": "jvasp-20567",
"created_at": "2022-09-04T14:38:10.535633Z",
"updated_at": "2022-09-04T14:38:10.535661Z",
"structure_string": "Th1 Tl3\n1.0\n4.822101 -0.000000 -0.000000\n-0.000000 4.822101 -0.000000\n0.000000 -0.000000 4.822101\nTh Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Tl"
],
"chemical_system": "Th-Tl",
"density": 12.516805150596232,
"density_atomic": 0.03567394050830185,
"volume": 112.12666565582069,
"volume_molar": 16.88106408822025,
"formula_full": "Th1 Tl3",
"formula_reduced": "ThTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3193558500000001,
"spacegroup": 221
},
{
"id": "jvasp-28694",
"created_at": "2022-09-04T14:38:10.541705Z",
"updated_at": "2022-09-04T14:38:10.541734Z",
"structure_string": "Te4 Mo4 S4\n1.0\n3.368881 0.000000 0.000000\n-1.684440 2.917535 -0.000086\n0.000000 -0.001028 36.943296\nTe Mo S\n4 4 4\ndirect\n0.333290 0.666581 0.327423 Te\n0.666711 0.333420 0.424035 Te\n0.666742 0.333483 0.526505 Te\n0.333258 0.666518 0.224953 Te\n0.333359 0.666717 0.095157 Mo\n0.333394 0.666786 0.475249 Mo\n0.666606 0.333215 0.276209 Mo\n0.666641 0.333284 0.656301 Mo\n0.333329 0.666659 0.697194 S\n0.666671 0.333342 0.054264 S\n0.666714 0.333426 0.136099 S\n0.333286 0.666575 0.615359 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 4.675639826444484,
"density_atomic": 0.033047899517976445,
"volume": 363.10931027469945,
"volume_molar": 18.222461481172953,
"formula_full": "Te4 Mo4 S4",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4371612222222216,
"spacegroup": 164
},
{
"id": "jvasp-11674",
"created_at": "2022-09-04T14:38:10.544766Z",
"updated_at": "2022-09-04T14:38:10.544790Z",
"structure_string": "Mn2 C2 O6\n1.0\n4.360545 -0.020148 3.916403\n1.734284 4.000878 3.916403\n-0.030848 -0.020148 5.861025\nMn C O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n0.750000 0.750000 0.749999 C\n0.250000 0.250000 0.250000 C\n0.479930 0.020070 0.749999 O\n0.750000 0.479929 0.020070 O\n0.979930 0.249999 0.520069 O\n0.520070 0.979930 0.249999 O\n0.249999 0.520070 0.979929 O\n0.020070 0.750000 0.479929 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"C",
"O"
],
"chemical_system": "C-Mn-O",
"density": 3.7009240787026774,
"density_atomic": 0.0969468381770517,
"volume": 103.14931552215492,
"volume_molar": 6.211796973720699,
"formula_full": "Mn2 C2 O6",
"formula_reduced": "MnCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.4290055482758617,
"spacegroup": 167
}
]
}