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=formula_anonymous&page=1232",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1230",
"results": [
{
"id": "jvasp-56358",
"created_at": "2022-09-04T14:37:40.972792Z",
"updated_at": "2022-09-04T14:37:40.972812Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.231390 -3.864881 -0.000000\n2.231390 3.864881 -0.000000\n0.000000 0.000000 10.407681\nCa Si Br\n3 1 2\ndirect\n0.333333 0.666667 0.129890 Ca\n0.666667 0.333333 0.870110 Ca\n0.000000 -0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.644080 Br\n0.666667 0.333333 0.355919 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.8502567359547415,
"density_atomic": 0.03342378840964732,
"volume": 179.51286450425775,
"volume_molar": 18.017528971257466,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1118830116666666,
"spacegroup": 164
},
{
"id": "jvasp-58425",
"created_at": "2022-09-04T14:37:32.896894Z",
"updated_at": "2022-09-04T14:37:32.896926Z",
"structure_string": "U4 Cr6 Si2\n1.0\n2.567122 -4.446385 0.000000\n2.567122 4.446385 0.000000\n0.000000 -0.000000 8.053991\nU Cr Si\n4 6 2\ndirect\n0.333333 0.666667 0.913955 U\n0.666667 0.333333 0.413955 U\n0.666667 0.333333 0.086045 U\n0.333333 0.666667 0.586045 U\n0.346189 0.173095 0.750000 Cr\n0.826905 0.173095 0.750000 Cr\n0.826905 0.653811 0.750000 Cr\n0.173095 0.826905 0.250000 Cr\n0.173095 0.346189 0.250000 Cr\n0.653811 0.826905 0.250000 Cr\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Cr",
"Si"
],
"chemical_system": "Cr-Si-U",
"density": 11.923806518230867,
"density_atomic": 0.06526593100261432,
"volume": 183.86315518151918,
"volume_molar": 9.227081675673599,
"formula_full": "U4 Cr6 Si2",
"formula_reduced": "U2Cr3Si",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.4303738,
"spacegroup": 194
},
{
"id": "jvasp-15891",
"created_at": "2022-09-04T14:37:49.488438Z",
"updated_at": "2022-09-04T14:37:49.488458Z",
"structure_string": "U1 B2 Os3\n1.0\n2.789396 -4.831376 -0.000000\n2.789396 4.831376 -0.000000\n0.000000 0.000000 2.975032\nU B Os\n1 2 3\ndirect\n0.000000 0.000000 0.000000 U\n0.333334 0.666668 0.000000 B\n0.666668 0.333334 0.000000 B\n0.000000 0.500001 0.500000 Os\n0.500001 0.000000 0.500000 Os\n0.500001 0.500001 0.500000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"B",
"Os"
],
"chemical_system": "B-Os-U",
"density": 17.195027892402138,
"density_atomic": 0.0748253232826672,
"volume": 80.18675679266809,
"volume_molar": 8.048265608222223,
"formula_full": "U1 B2 Os3",
"formula_reduced": "UB2Os3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 6.01720436111111,
"spacegroup": 191
},
{
"id": "jvasp-59547",
"created_at": "2022-09-04T14:37:53.464605Z",
"updated_at": "2022-09-04T14:37:53.464621Z",
"structure_string": "Al8 Re12 B4\n1.0\n6.599181 -0.000000 3.810038\n2.199727 6.221767 3.810038\n-0.000000 -0.000000 7.620077\nAl Re B\n8 12 4\ndirect\n0.710982 0.710983 0.710983 Al\n0.710982 0.710983 0.367054 Al\n0.289018 0.632946 0.289018 Al\n0.367054 0.710983 0.710983 Al\n0.289018 0.289018 0.289018 Al\n0.632946 0.289018 0.289018 Al\n0.289018 0.289018 0.632946 Al\n0.710982 0.367054 0.710983 Al\n0.934007 0.934007 0.315993 Re\n0.315993 0.315993 0.934007 Re\n0.065993 0.684007 0.684007 Re\n0.315993 0.934007 0.934007 Re\n0.684007 0.065993 0.684007 Re\n0.684007 0.684007 0.065993 Re\n0.065993 0.065993 0.684007 Re\n0.934007 0.315993 0.934007 Re\n0.315993 0.934007 0.315993 Re\n0.934007 0.315993 0.315993 Re\n0.684007 0.065993 0.065993 Re\n0.065993 0.684007 0.065993 Re\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Re",
"B"
],
"chemical_system": "Al-B-Re",
"density": 13.234554114394328,
"density_atomic": 0.07670931393129311,
"volume": 312.8694387945678,
"volume_molar": 7.850599166346218,
"formula_full": "Al8 Re12 B4",
"formula_reduced": "Al2Re3B",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.345210363888889,
"spacegroup": 227
},
{
"id": "jvasp-35082",
"created_at": "2022-09-04T14:37:30.034890Z",
"updated_at": "2022-09-04T14:37:30.034920Z",
"structure_string": "Sr2 H3 I1\n1.0\n2.113640 -3.660932 0.000000\n2.113640 3.660932 -0.000000\n0.000000 -0.000000 7.635662\nSr H I\n2 3 1\ndirect\n0.666667 0.333333 0.320331 Sr\n0.333333 0.666667 0.679669 Sr\n0.000000 0.000000 0.500000 H\n0.666667 0.333333 0.645004 H\n0.333333 0.666667 0.354996 H\n0.000000 0.000000 0.000000 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"H",
"I"
],
"chemical_system": "H-I-Sr",
"density": 4.288339189192647,
"density_atomic": 0.0507752274645579,
"volume": 118.16786058099133,
"volume_molar": 11.86039149544642,
"formula_full": "Sr2 H3 I1",
"formula_reduced": "Sr2H3I",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9961414825,
"spacegroup": 164
},
{
"id": "jvasp-48471",
"created_at": "2022-09-04T14:37:41.274536Z",
"updated_at": "2022-09-04T14:37:41.274565Z",
"structure_string": "Na4 V2 O6\n1.0\n2.652907 4.594619 -0.005360\n-2.652907 4.594619 0.005360\n-1.813738 0.000000 5.339552\nNa V O\n4 2 6\ndirect\n0.157682 0.157683 0.500000 Na\n0.842317 0.842318 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.667595 0.667595 0.000000 V\n0.332405 0.332405 0.000000 V\n0.308858 0.691142 0.797571 O\n0.068535 0.552708 0.200259 O\n0.447292 0.931465 0.200259 O\n0.931465 0.447292 0.799742 O\n0.552708 0.068535 0.799742 O\n0.691142 0.308858 0.202429 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 3.699959313513885,
"density_atomic": 0.09225141956868003,
"volume": 130.0792991165426,
"volume_molar": 6.527965410349694,
"formula_full": "Na4 V2 O6",
"formula_reduced": "Na2VO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5072987833333331,
"spacegroup": 12
},
{
"id": "jvasp-35914",
"created_at": "2022-09-04T14:37:36.838743Z",
"updated_at": "2022-09-04T14:37:36.838774Z",
"structure_string": "La1 Ni2 Rh3\n1.0\n5.286909 0.000043 0.000000\n-2.643418 4.578620 0.000000\n0.000000 0.000000 4.054409\nLa Ni Rh\n1 2 3\ndirect\n0.000008 0.000008 0.000000 La\n0.666654 0.333322 0.000000 Ni\n0.333322 0.666654 0.000000 Ni\n0.500068 0.500068 0.500000 Rh\n0.500010 0.000037 0.500000 Rh\n0.000037 0.500010 0.500000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ni",
"Rh"
],
"chemical_system": "La-Ni-Rh",
"density": 9.559567709292404,
"density_atomic": 0.06113433853779394,
"volume": 98.14451490778349,
"volume_molar": 9.850668059943176,
"formula_full": "La1 Ni2 Rh3",
"formula_reduced": "LaNi2Rh3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.271241466666667,
"spacegroup": 191
},
{
"id": "jvasp-15885",
"created_at": "2022-09-04T14:37:45.632592Z",
"updated_at": "2022-09-04T14:37:45.632608Z",
"structure_string": "Th1 B2 Ir3\n1.0\n2.753101 -4.768511 -0.000000\n2.753101 4.768511 0.000000\n-0.000000 -0.000000 3.253098\nTh B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 -0.000000 0.500000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"B",
"Ir"
],
"chemical_system": "B-Ir-Th",
"density": 16.142018662093268,
"density_atomic": 0.07024560788141211,
"volume": 85.41459289709809,
"volume_molar": 8.572978356407015,
"formula_full": "Th1 B2 Ir3",
"formula_reduced": "ThB2Ir3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.731550677777778,
"spacegroup": 191
},
{
"id": "jvasp-35083",
"created_at": "2022-09-04T14:37:30.047077Z",
"updated_at": "2022-09-04T14:37:30.047106Z",
"structure_string": "Ta2 Ti1 N3\n1.0\n2.633810 -4.561894 0.000000\n2.633810 4.561894 -0.000000\n-0.000000 -0.000000 2.930727\nTa Ti N\n2 1 3\ndirect\n0.666667 0.333333 0.500001 Ta\n0.333333 0.666667 0.500001 Ta\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"N"
],
"chemical_system": "N-Ta-Ti",
"density": 10.65231142493528,
"density_atomic": 0.08519542176852643,
"volume": 70.42631957738095,
"volume_molar": 7.068620161728863,
"formula_full": "Ta2 Ti1 N3",
"formula_reduced": "Ta2TiN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.881754413888888,
"spacegroup": 191
},
{
"id": "jvasp-120733",
"created_at": "2022-09-04T14:38:48.915450Z",
"updated_at": "2022-09-04T14:38:48.915487Z",
"structure_string": "U2 Si6 Ni4\n1.0\n3.857068 -0.026875 -11.465766\n-0.128819 3.855010 -11.465766\n0.026174 0.026875 12.097111\nU Si Ni\n2 6 4\ndirect\n0.849167 0.849165 -0.000001 U\n0.150834 0.150833 -0.000000 U\n0.949866 0.449866 0.499999 Si\n0.449866 0.949866 0.499999 Si\n0.050133 0.550134 0.500000 Si\n0.550134 0.050134 0.499999 Si\n0.696986 0.696985 -0.000001 Si\n0.303014 0.303014 -0.000000 Si\n0.750000 0.250000 0.499999 Ni\n0.249999 0.750000 0.499999 Ni\n0.599351 0.599350 -0.000001 Ni\n0.400649 0.400648 -0.000001 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-U",
"density": 8.013150044487013,
"density_atomic": 0.06585312842343718,
"volume": 182.22368909856058,
"volume_molar": 9.144805879650077,
"formula_full": "U2 Si6 Ni4",
"formula_reduced": "USi3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.145794433333333,
"spacegroup": 139
},
{
"id": "jvasp-119275",
"created_at": "2022-09-04T14:38:50.501475Z",
"updated_at": "2022-09-04T14:38:50.501501Z",
"structure_string": "Li8 Cr4 O12\n1.0\n2.824267 -0.005050 0.540134\n1.319998 9.478141 0.836691\n0.017203 0.016607 7.566880\nLi Cr O\n8 4 12\ndirect\n0.333299 0.000001 0.333327 Li\n0.333353 0.500001 0.833335 Li\n0.333328 0.249995 0.083323 Li\n0.333268 0.750000 0.583347 Li\n0.993583 0.756211 0.257046 Li\n0.993494 0.256219 0.757028 Li\n0.673272 0.243788 0.409618 Li\n0.673327 0.743784 0.909640 Li\n-0.009804 0.002807 0.016663 Cr\n0.676341 0.997194 0.649999 Cr\n-0.009721 0.502811 0.516668 Cr\n0.676474 0.497190 0.149997 Cr\n0.843109 0.118393 0.195262 O\n0.502893 0.885291 0.108728 O\n0.502958 0.385295 0.608726 O\n0.163787 0.614705 0.057941 O\n0.163656 0.114709 0.557936 O\n0.159903 0.393122 0.287094 O\n0.159798 0.893125 0.787095 O\n0.506829 0.606878 0.379572 O\n0.506734 0.106876 0.879569 O\n0.823435 0.881606 0.471403 O\n0.823528 0.381607 0.971400 O\n0.843164 0.618395 0.695267 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.73539286257681,
"density_atomic": 0.11852366973695509,
"volume": 202.49119904289395,
"volume_molar": 5.080960430406186,
"formula_full": "Li8 Cr4 O12",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.103882983333334,
"spacegroup": 12
},
{
"id": "jvasp-119728",
"created_at": "2022-09-04T14:38:50.443862Z",
"updated_at": "2022-09-04T14:38:50.443884Z",
"structure_string": "Fe10 O15 F5\n1.0\n4.397817 0.029717 0.000000\n-0.298462 4.387778 0.000000\n-0.000000 -0.000000 14.341720\nFe O F\n10 15 5\ndirect\n0.997233 0.002769 0.600213 Fe\n0.525768 0.474233 0.698489 Fe\n0.525768 0.474233 0.301511 Fe\n0.523143 0.476859 0.100042 Fe\n0.464795 0.535206 0.500000 Fe\n0.523143 0.476859 0.899958 Fe\n0.981605 0.018397 -0.000000 Fe\n0.978521 0.021480 0.199708 Fe\n0.997233 0.002769 0.399787 Fe\n0.978521 0.021480 0.800292 Fe\n0.692795 0.699796 0.599699 O\n0.183251 0.816752 0.500000 O\n0.701003 0.694011 0.799769 O\n0.701125 0.694460 -0.000000 O\n0.701003 0.694011 0.200231 O\n0.692795 0.699796 0.400301 O\n0.305990 0.298999 0.799769 O\n0.300206 0.307207 0.599699 O\n0.305990 0.298999 0.200231 O\n0.300206 0.307207 0.400301 O\n0.807212 0.192789 0.700026 O\n0.803600 0.196402 0.900335 O\n0.803600 0.196402 0.099665 O\n0.807212 0.192789 0.299974 O\n0.305541 0.298877 -0.000000 O\n0.198580 0.801422 0.698987 F\n0.794711 0.205290 0.500000 F\n0.200449 0.799552 0.100012 F\n0.198580 0.801422 0.301013 F\n0.200449 0.799552 0.899988 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.358318008998483,
"density_atomic": 0.10835242727872213,
"volume": 276.8742773323297,
"volume_molar": 5.557919569728556,
"formula_full": "Fe10 O15 F5",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.3115552970833333,
"spacegroup": 38
}
]
}