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=created_at&page=83",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=81",
"results": [
{
"id": "jvasp-71835",
"created_at": "2022-09-04T14:35:43.381683Z",
"updated_at": "2022-09-04T14:35:43.381712Z",
"structure_string": "Be2 Nb1 V1\n1.0\n2.680405 0.000000 -0.000000\n0.000000 2.680405 0.000000\n-0.000000 0.000000 6.890100\nBe Nb V\n2 1 1\ndirect\n0.000000 0.000000 0.734008 Be\n0.000000 0.000000 0.265992 Be\n0.499999 0.499999 0.000000 Nb\n0.499999 0.499999 0.500000 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"V"
],
"chemical_system": "Be-Nb-V",
"density": 5.429941126755992,
"density_atomic": 0.08080414279087393,
"volume": 49.50241239922865,
"volume_molar": 7.452762385693107,
"formula_full": "Be2 Nb1 V1",
"formula_reduced": "Be2NbV",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.38165395,
"spacegroup": 123
},
{
"id": "jvasp-90854",
"created_at": "2022-09-04T14:35:43.386296Z",
"updated_at": "2022-09-04T14:35:43.386320Z",
"structure_string": "K1 Cd4 As3\n1.0\n-2.266297 -3.925342 0.000000\n2.266297 -3.925342 0.000000\n-0.000000 -2.616894 12.031292\nK Cd As\n1 4 3\ndirect\n0.500000 0.500000 0.500000 K\n0.089762 0.089762 0.730713 Cd\n0.910237 0.910237 0.269287 Cd\n0.301042 0.301042 0.096873 Cd\n0.698957 0.698957 0.903127 Cd\n0.226460 0.226460 0.320621 As\n0.773540 0.773540 0.679379 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cd",
"As"
],
"chemical_system": "As-Cd-K",
"density": 5.534913123847254,
"density_atomic": 0.03737260743468236,
"volume": 214.06052585391396,
"volume_molar": 16.113782723148613,
"formula_full": "K1 Cd4 As3",
"formula_reduced": "KCd4As3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-3252",
"created_at": "2022-09-04T14:35:43.387900Z",
"updated_at": "2022-09-04T14:35:43.387918Z",
"structure_string": "Sm2 Se1 O2\n1.0\n1.970730 -3.413404 0.000000\n1.970730 3.413404 0.000000\n0.000000 0.000000 6.958026\nSm Se O\n2 1 2\ndirect\n0.333333 0.666667 0.288729 Sm\n0.666667 0.333333 0.711271 Sm\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.625905 O\n0.666667 0.333333 0.374096 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Se",
"O"
],
"chemical_system": "O-Se-Sm",
"density": 7.302586948490285,
"density_atomic": 0.053412036921921834,
"volume": 93.6118577037053,
"volume_molar": 11.274875677936073,
"formula_full": "Sm2 Se1 O2",
"formula_reduced": "Sm2SeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3251776233333332,
"spacegroup": 164
},
{
"id": "jvasp-74390",
"created_at": "2022-09-04T14:35:43.390601Z",
"updated_at": "2022-09-04T14:35:43.390630Z",
"structure_string": "Ca1 Y1 Be2\n1.0\n-2.122162 2.122162 4.463787\n2.122162 -2.122162 4.463787\n2.122162 2.122162 -4.463787\nCa Y Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.750000 0.250000 0.499999 Y\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.499999 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Be"
],
"chemical_system": "Be-Ca-Y",
"density": 3.035779172717791,
"density_atomic": 0.04974385853215173,
"volume": 80.41193662961665,
"volume_molar": 12.106300029193786,
"formula_full": "Ca1 Y1 Be2",
"formula_reduced": "CaYBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6594245174999998,
"spacegroup": 119
},
{
"id": "jvasp-65696",
"created_at": "2022-09-04T14:35:43.393295Z",
"updated_at": "2022-09-04T14:35:43.393311Z",
"structure_string": "Ba1 Y1 Sb2\n1.0\n5.566054 0.000000 0.000000\n0.000000 5.566054 0.000000\n0.000000 -0.000000 4.169118\nBa Y Sb\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Y\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Sb"
],
"chemical_system": "Ba-Sb-Y",
"density": 6.039201260829563,
"density_atomic": 0.030968557260059988,
"volume": 129.16326603173027,
"volume_molar": 19.445984226610157,
"formula_full": "Ba1 Y1 Sb2",
"formula_reduced": "BaYSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.281015905,
"spacegroup": 123
},
{
"id": "jvasp-67722",
"created_at": "2022-09-04T14:35:43.393899Z",
"updated_at": "2022-09-04T14:35:43.393924Z",
"structure_string": "Zr1 Be1 Fe4\n1.0\n-0.000000 3.358303 3.358303\n3.358303 -0.000000 3.358303\n3.358303 3.358303 -0.000000\nZr Be Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n0.120783 0.626405 0.626405 Fe\n0.626405 0.626405 0.626405 Fe\n0.626405 0.120783 0.626405 Fe\n0.626405 0.626405 0.120783 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Zr",
"density": 7.093975746887436,
"density_atomic": 0.079206645810831,
"volume": 75.75121933997536,
"volume_molar": 7.603075093449432,
"formula_full": "Zr1 Be1 Fe4",
"formula_reduced": "ZrBeFe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.6584871,
"spacegroup": 216
},
{
"id": "jvasp-98874",
"created_at": "2022-09-04T14:35:43.397120Z",
"updated_at": "2022-09-04T14:35:43.397149Z",
"structure_string": "K2 Yb6 F20\n1.0\n6.894882 -0.003323 3.980311\n2.257969 6.642314 4.046240\n-0.082992 0.022807 8.099068\nYb K F\n6 2 20\ndirect\n0.770058 0.773711 0.231217 Yb\n0.770049 0.231093 0.773793 Yb\n0.768465 0.226302 0.226297 Yb\n0.229937 0.226291 0.768778 Yb\n0.231530 0.773707 0.773701 Yb\n0.229950 0.768902 0.226213 Yb\n0.770329 0.735794 0.735875 K\n0.229670 0.264207 0.264126 K\n0.812741 0.163624 0.512577 F\n0.493057 0.493335 0.131616 F\n0.499915 0.681175 0.318960 F\n0.812781 0.512356 0.163998 F\n0.869249 0.500752 0.500824 F\n0.641126 0.109351 0.109452 F\n0.107757 0.667712 0.107829 F\n0.500076 0.318828 0.681047 F\n0.871485 0.885699 0.885800 F\n0.128517 0.114303 0.114199 F\n0.507158 0.868212 0.506897 F\n0.892268 0.892178 0.332303 F\n0.107733 0.107821 0.667700 F\n0.358879 0.890650 0.890542 F\n0.506949 0.506663 0.868382 F\n0.130750 0.499249 0.499179 F\n0.187223 0.487635 0.836006 F\n0.187262 0.836382 0.487416 F\n0.892243 0.332289 0.892169 F\n0.492843 0.131786 0.493104 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"K",
"F"
],
"chemical_system": "F-K-Yb",
"density": 6.666310960684584,
"density_atomic": 0.07511824776919504,
"volume": 372.745648780727,
"volume_molar": 8.016881302268072,
"formula_full": "K2 Yb6 F20",
"formula_reduced": "KYb3F10",
"formula_anonymous": "AB3C10",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-74478",
"created_at": "2022-09-04T14:35:43.398173Z",
"updated_at": "2022-09-04T14:35:43.398198Z",
"structure_string": "Be2 Si1 Mo1\n1.0\n3.149406 0.000000 0.000000\n0.000000 3.149406 -0.000000\n0.000000 -0.000000 4.868615\nBe Si Mo\n2 1 1\ndirect\n0.000000 0.000000 0.008570 Be\n0.500001 0.500001 0.237411 Be\n0.500001 0.500001 0.751380 Si\n0.000000 0.000000 0.502640 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Mo"
],
"chemical_system": "Be-Mo-Si",
"density": 4.8845795383646236,
"density_atomic": 0.08283183021875472,
"volume": 48.290614724269645,
"volume_molar": 7.2703219814120095,
"formula_full": "Be2 Si1 Mo1",
"formula_reduced": "Be2SiMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2143091750000004,
"spacegroup": 99
},
{
"id": "jvasp-66128",
"created_at": "2022-09-04T14:35:43.402234Z",
"updated_at": "2022-09-04T14:35:43.402266Z",
"structure_string": "Ba4 Pt1 Rh1\n1.0\n0.000000 4.665125 4.665125\n4.665125 -0.000000 4.665125\n4.665125 4.665125 0.000000\nBa Pt Rh\n4 1 1\ndirect\n0.125068 0.624976 0.624976 Ba\n0.624976 0.624976 0.624976 Ba\n0.624976 0.125068 0.624976 Ba\n0.624976 0.624976 0.125068 Ba\n0.250000 0.250000 0.250000 Pt\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Pt",
"Rh"
],
"chemical_system": "Ba-Pt-Rh",
"density": 6.928914014005414,
"density_atomic": 0.029548225165798653,
"volume": 203.0578813560976,
"volume_molar": 20.38071906589666,
"formula_full": "Ba4 Pt1 Rh1",
"formula_reduced": "Ba4PtRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9576830466666668,
"spacegroup": 216
},
{
"id": "jvasp-42239",
"created_at": "2022-09-04T14:35:43.404620Z",
"updated_at": "2022-09-04T14:35:43.404638Z",
"structure_string": "Fe8 O12 F4\n1.0\n5.328539 0.007675 0.015755\n-2.224096 4.842072 -0.017221\n-2.083678 -2.082152 8.961190\nFe O F\n8 12 4\ndirect\n0.873335 0.372112 0.749494 Fe\n0.631617 0.098201 0.233848 Fe\n0.742302 0.736825 0.498142 Fe\n0.257281 0.251783 0.498142 Fe\n0.489393 0.492455 0.000848 Fe\n0.115050 0.646034 0.265140 Fe\n0.373332 0.872117 0.749496 Fe\n0.004369 0.007407 0.000846 Fe\n0.046106 0.855790 0.405941 O\n0.226730 0.925605 0.152705 O\n0.268802 0.575241 0.847199 O\n0.519935 0.818633 0.346284 O\n0.023608 0.322275 0.346279 O\n0.453362 0.634984 0.592392 O\n0.477869 0.168989 0.651788 O\n0.293306 0.109252 0.906596 O\n0.978758 0.669894 0.651791 O\n0.723057 0.421966 0.152712 O\n0.767908 0.074330 0.847195 O\n0.700557 0.888446 0.093045 O\n0.800913 0.586153 0.891135 F\n0.945766 0.158073 0.607860 F\n0.561459 0.321255 0.386747 F\n0.185198 0.422979 0.112237 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.128986736799882,
"density_atomic": 0.10371503921181267,
"volume": 231.40327750333154,
"volume_molar": 5.8064296227100165,
"formula_full": "Fe8 O12 F4",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.32135696375,
"spacegroup": 12
},
{
"id": "jvasp-105787",
"created_at": "2022-09-04T14:35:43.404765Z",
"updated_at": "2022-09-04T14:35:43.404785Z",
"structure_string": "Li2 Cd1 In1\n1.0\n4.091227 0.000000 2.362071\n1.363742 3.857246 2.362071\n-0.000000 -0.000000 4.724141\nLi Cd In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.749999 Li\n0.500000 0.500001 0.499999 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 5.370470757750898,
"density_atomic": 0.053654509104630446,
"volume": 74.5510501680239,
"volume_molar": 11.22392294794154,
"formula_full": "Li2 Cd1 In1",
"formula_reduced": "Li2CdIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.13834249625,
"spacegroup": 225
},
{
"id": "jvasp-86722",
"created_at": "2022-09-04T14:35:43.410049Z",
"updated_at": "2022-09-04T14:35:43.410083Z",
"structure_string": "Pr4 Ni4 I2\n1.0\n4.089424 0.000000 -0.000000\n-2.044712 3.541546 -0.000000\n0.000000 -0.000000 17.454148\nPr Ni I\n4 4 2\ndirect\n0.000000 0.000000 0.605916 Pr\n0.000000 0.000000 0.394084 Pr\n0.000000 0.000000 0.105916 Pr\n0.000000 0.000000 0.894084 Pr\n0.666667 0.333333 0.500492 Ni\n0.333333 0.666668 0.000492 Ni\n0.666667 0.333333 0.999509 Ni\n0.333333 0.666668 0.499509 Ni\n0.666667 0.333333 0.250000 I\n0.333333 0.666668 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"I"
],
"chemical_system": "I-Ni-Pr",
"density": 6.911926888383217,
"density_atomic": 0.03955909223777334,
"volume": 252.7863870053978,
"volume_molar": 15.223152047583406,
"formula_full": "Pr4 Ni4 I2",
"formula_reduced": "Pr2Ni2I",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.944676155,
"spacegroup": 194
}
]
}