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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4534",
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"results": [
{
"id": "jvasp-54835",
"created_at": "2022-09-04T14:37:41.361933Z",
"updated_at": "2022-09-04T14:37:41.361952Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n4.245405 -0.000000 0.000000\n-2.122702 6.895957 -0.138236\n0.000000 -0.050097 10.211763\nCd Bi Se I\n2 2 4 2\ndirect\n-0.000000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.282865 0.565731 0.688425 Bi\n0.717134 0.434269 0.311574 Bi\n0.357211 0.714422 0.440223 Se\n0.642788 0.285578 0.559776 Se\n0.919866 0.839733 0.741681 Se\n0.080133 0.160267 0.258318 Se\n0.640328 0.280656 0.925123 I\n0.359671 0.719344 0.074876 I\n",
"nsites": 10,
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"elements": [
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"Se",
"I"
],
"chemical_system": "Bi-Cd-I-Se",
"density": 6.7349551383276705,
"density_atomic": 0.03345247945200673,
"volume": 298.93150414595425,
"volume_molar": 18.002075955654604,
"formula_full": "Cd2 Bi2 Se4 I2",
"formula_reduced": "CdBiSe2I",
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},
{
"id": "jvasp-26383",
"created_at": "2022-09-04T14:37:50.937705Z",
"updated_at": "2022-09-04T14:37:50.937723Z",
"structure_string": "K2 Li2 Zn2 O4\n1.0\n3.266551 -0.000037 0.754496\n1.417210 5.330220 1.312688\n0.001496 -0.002614 7.443889\nK Li Zn O\n2 2 2 4\ndirect\n0.162315 0.305953 0.369306 K\n0.837686 0.694047 0.630695 K\n0.658895 0.627409 0.054787 Li\n0.341106 0.372590 0.945214 Li\n0.954316 0.906660 0.184668 Zn\n0.045684 0.093339 0.815333 Zn\n0.537115 0.233820 0.692049 O\n0.462886 0.766180 0.307952 O\n0.163019 0.736166 0.937827 O\n0.836981 0.263834 0.062174 O\n",
"nsites": 10,
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"elements": [
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"Zn",
"O"
],
"chemical_system": "K-Li-O-Zn",
"density": 3.67558998335208,
"density_atomic": 0.07715359970135903,
"volume": 129.61158051869683,
"volume_molar": 7.805391820096661,
"formula_full": "K2 Li2 Zn2 O4",
"formula_reduced": "KLiZnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.29271908,
"spacegroup": 12
},
{
"id": "jvasp-109150",
"created_at": "2022-09-04T14:37:58.399469Z",
"updated_at": "2022-09-04T14:37:58.399496Z",
"structure_string": "Rb1 Li1 Mn1 S2\n1.0\n3.757001 0.004262 -5.943106\n-0.311451 3.744071 -5.943106\n-0.003917 -0.004262 7.031042\nRb Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.499999 Li\n0.750000 0.250000 0.499999 Mn\n0.660641 0.660640 -0.000001 S\n0.339359 0.339359 -0.000001 S\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-Rb-S",
"density": 3.557143575833016,
"density_atomic": 0.0506476709651097,
"volume": 98.72122260951373,
"volume_molar": 11.890261971075724,
"formula_full": "Rb1 Li1 Mn1 S2",
"formula_reduced": "RbLiMnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.4758174482758617,
"spacegroup": 119
},
{
"id": "jvasp-26417",
"created_at": "2022-09-04T14:37:51.007937Z",
"updated_at": "2022-09-04T14:37:51.007964Z",
"structure_string": "Ca2 Bi2 Cl2 O4\n1.0\n0.000000 6.392876 0.029951\n4.150602 0.000000 0.000000\n0.000000 -1.994633 -7.526254\nCa Bi Cl O\n2 2 2 4\ndirect\n0.671352 0.250000 0.920514 Ca\n0.328649 0.750000 0.079485 Ca\n0.682301 0.250000 0.408873 Bi\n0.317700 0.750000 0.591127 Bi\n0.055989 0.250000 0.813250 Cl\n0.944012 0.750000 0.186750 Cl\n0.529189 0.750000 0.401127 O\n0.470812 0.250000 0.598872 O\n0.511685 0.750000 0.857571 O\n0.488316 0.250000 0.142428 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Ca-Cl-O",
"density": 5.270115551016112,
"density_atomic": 0.050136421639257994,
"volume": 199.4557982608349,
"volume_molar": 12.01150892524911,
"formula_full": "Ca2 Bi2 Cl2 O4",
"formula_reduced": "CaBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7079751575000001,
"spacegroup": 11
},
{
"id": "jvasp-107740",
"created_at": "2022-09-04T14:37:40.441485Z",
"updated_at": "2022-09-04T14:37:40.441504Z",
"structure_string": "Sr1 Li1 Al1 Sb2\n1.0\n4.575491 -0.000000 0.000000\n-2.287745 3.962491 0.000000\n-0.000000 -0.000000 7.811211\nSr Li Al Sb\n1 1 1 2\ndirect\n0.333332 0.666666 0.026155 Sr\n0.666666 0.333333 0.365251 Li\n0.000000 0.000000 0.603229 Al\n0.000000 0.000000 0.266248 Sb\n0.666666 0.333333 0.739116 Sb\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Al",
"Sb"
],
"chemical_system": "Al-Li-Sb-Sr",
"density": 4.2804753793743835,
"density_atomic": 0.03530576618744733,
"volume": 141.6199261461633,
"volume_molar": 17.057102593459994,
"formula_full": "Sr1 Li1 Al1 Sb2",
"formula_reduced": "SrLiAlSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.9294982620000004,
"spacegroup": 156
},
{
"id": "jvasp-29499",
"created_at": "2022-09-04T14:37:53.446089Z",
"updated_at": "2022-09-04T14:37:53.446106Z",
"structure_string": "Cd2 Bi2 S4 Br2\n1.0\n4.058357 -0.000000 0.000000\n-2.029178 6.541732 -0.148550\n0.000000 -0.041374 9.562708\nCd Bi S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.279031 0.558062 0.698607 Bi\n0.720970 0.441939 0.301394 Bi\n0.355630 0.711259 0.444774 S\n0.918481 0.836962 0.745438 S\n0.644371 0.288742 0.555227 S\n0.081519 0.163038 0.254562 S\n0.359340 0.718679 0.071206 Br\n0.640661 0.281321 0.928794 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-Cd-S",
"density": 6.089027762142555,
"density_atomic": 0.03939297499431948,
"volume": 253.8523683840079,
"volume_molar": 15.287346946678692,
"formula_full": "Cd2 Bi2 S4 Br2",
"formula_reduced": "CdBiS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4487036310000002,
"spacegroup": 12
},
{
"id": "jvasp-35170",
"created_at": "2022-09-04T14:38:05.063390Z",
"updated_at": "2022-09-04T14:38:05.063411Z",
"structure_string": "Li4 Ca4 Al4 N8\n1.0\n0.000000 5.775238 -0.007065\n6.862633 0.000000 0.000000\n0.000000 -0.019677 -5.804997\nLi Ca Al N\n4 4 4 8\ndirect\n0.366678 0.598381 0.909159 Li\n0.633321 0.098381 0.590841 Li\n0.633322 0.401619 0.090841 Li\n0.366678 0.901619 0.409159 Li\n0.027995 0.871184 0.741138 Ca\n0.972005 0.371185 0.758862 Ca\n0.972005 0.128815 0.258862 Ca\n0.027995 0.628815 0.241137 Ca\n0.620752 0.859782 0.074650 Al\n0.379248 0.359782 0.425349 Al\n0.379248 0.140217 0.925349 Al\n0.620752 0.640217 0.574651 Al\n0.268569 0.145528 0.605862 N\n0.731430 0.645528 0.894138 N\n0.731431 0.854471 0.394138 N\n0.268570 0.354471 0.105862 N\n0.287574 0.606967 0.566794 N\n0.712425 0.106967 0.933206 N\n0.712425 0.393033 0.433206 N\n0.287575 0.893033 0.066793 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-Li-N",
"density": 2.9451277846767905,
"density_atomic": 0.08692917029300826,
"volume": 230.0723673375335,
"volume_molar": 6.927640905465267,
"formula_full": "Li4 Ca4 Al4 N8",
"formula_reduced": "LiCaAlN2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.356961944,
"spacegroup": 14
},
{
"id": "jvasp-106999",
"created_at": "2022-09-04T14:38:06.121806Z",
"updated_at": "2022-09-04T14:38:06.121830Z",
"structure_string": "Dy2 P2 Ru4 C2\n1.0\n5.842892 -0.004676 0.000000\n-4.618799 3.578561 0.000000\n-0.000000 -0.000000 7.066865\nDy P Ru C\n2 2 4 2\ndirect\n0.543908 0.456090 0.250000 Dy\n0.456090 0.543908 0.750001 Dy\n0.268329 0.731670 0.250000 P\n0.731669 0.268329 0.750001 P\n0.834739 0.165259 0.053131 Ru\n0.165260 0.834739 0.946870 Ru\n0.165260 0.834739 0.553131 Ru\n0.834739 0.165259 0.446869 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Dy",
"P",
"Ru",
"C"
],
"chemical_system": "C-Dy-P-Ru",
"density": 9.171177042061247,
"density_atomic": 0.06774632566244225,
"volume": 147.60948143264218,
"volume_molar": 8.889250746979778,
"formula_full": "Dy2 P2 Ru4 C2",
"formula_reduced": "DyPRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.9972606,
"spacegroup": 63
},
{
"id": "jvasp-56550",
"created_at": "2022-09-04T14:38:18.796537Z",
"updated_at": "2022-09-04T14:38:18.796551Z",
"structure_string": "Dy2 Si2 Ru4 C2\n1.0\n3.802499 0.000000 0.000000\n-1.901249 5.579241 -0.000000\n0.000000 -0.000000 7.143270\nDy Si Ru C\n2 2 4 2\ndirect\n0.047246 0.094490 0.750000 Dy\n0.952755 0.905510 0.250000 Dy\n0.230855 0.461709 0.250000 Si\n0.769145 0.538291 0.750000 Si\n0.336278 0.672556 0.943782 Ru\n0.336278 0.672556 0.556218 Ru\n0.663722 0.327444 0.056218 Ru\n0.663722 0.327444 0.443782 Ru\n0.500000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Si",
"Ru",
"C"
],
"chemical_system": "C-Dy-Ru-Si",
"density": 8.869718711546351,
"density_atomic": 0.06598704860227099,
"volume": 151.54488966878634,
"volume_molar": 9.126246570441012,
"formula_full": "Dy2 Si2 Ru4 C2",
"formula_reduced": "DySiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.04762922,
"spacegroup": 63
},
{
"id": "jvasp-29474",
"created_at": "2022-09-04T14:38:06.330243Z",
"updated_at": "2022-09-04T14:38:06.330265Z",
"structure_string": "Cd2 Sb2 S4 Br2\n1.0\n3.980238 0.000000 -0.000000\n-1.990120 6.522275 -0.144115\n-0.000000 -0.028201 9.662690\nCd Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.283842 0.567684 0.689244 Sb\n0.716158 0.432317 0.310756 Sb\n0.915266 0.830532 0.741328 S\n0.353781 0.707562 0.447565 S\n0.646220 0.292439 0.552434 S\n0.084735 0.169469 0.258672 S\n0.362853 0.725707 0.075578 Br\n0.637147 0.274294 0.924422 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Sb",
"S",
"Br"
],
"chemical_system": "Br-Cd-S-Sb",
"density": 5.007583183393937,
"density_atomic": 0.03986775797283032,
"volume": 250.82925422630865,
"volume_molar": 15.105290756766555,
"formula_full": "Cd2 Sb2 S4 Br2",
"formula_reduced": "CdSbS2Br",
"formula_anonymous": "ABCD2",
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"spacegroup": 12
},
{
"id": "jvasp-108918",
"created_at": "2022-09-04T14:38:15.586556Z",
"updated_at": "2022-09-04T14:38:15.586577Z",
"structure_string": "U2 Co2 Ni2 Ge4\n1.0\n4.116518 -0.000000 0.000000\n0.000000 4.116518 0.000000\n-0.000000 -0.000000 9.228345\nU Co Ni Ge\n2 2 2 4\ndirect\n-0.000000 0.500000 0.235632 U\n0.500000 0.000000 0.764368 U\n0.500000 0.500000 -0.000000 Co\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.623344 Ni\n0.500000 0.000000 0.376656 Ni\n-0.000000 0.500000 0.870154 Ge\n0.500000 0.000000 0.129845 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 10,
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"elements": [
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"Ge"
],
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"density": 10.63841793752247,
"density_atomic": 0.06394640594063007,
"volume": 156.38095453377514,
"volume_molar": 9.41748120385554,
"formula_full": "U2 Co2 Ni2 Ge4",
"formula_reduced": "UCoNiGe2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.4534062400000005,
"spacegroup": 129
},
{
"id": "jvasp-109168",
"created_at": "2022-09-04T14:38:08.956878Z",
"updated_at": "2022-09-04T14:38:08.956908Z",
"structure_string": "La1 Mn1 Fe1 Si2\n1.0\n3.776199 -0.026825 -4.503857\n-0.520038 3.740315 -4.503857\n0.023521 0.026825 5.877402\nLa Mn Fe Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750001 0.499999 Mn\n0.750000 0.250001 0.500000 Fe\n0.636054 0.636056 0.000001 Si\n0.363946 0.363947 0.000000 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.057175824740639,
"density_atomic": 0.059630587979685616,
"volume": 83.84958407090255,
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"formula_full": "La1 Mn1 Fe1 Si2",
"formula_reduced": "LaMnFeSi2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.258312988275862,
"spacegroup": 119
}
]
}