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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=125",
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"results": [
{
"id": "jvasp-109169",
"created_at": "2022-09-04T14:38:11.296165Z",
"updated_at": "2022-09-04T14:38:11.296195Z",
"structure_string": "La1 Cu1 Si2 Ni1\n1.0\n3.853388 -0.024157 -4.170308\n-0.607483 3.805279 -4.170308\n0.020738 0.024157 5.677996\nLa Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250001 0.750000 0.500001 Cu\n0.627762 0.627761 -0.000000 Si\n0.372239 0.372238 -0.000000 Si\n0.750001 0.250000 0.500000 Ni\n",
"nsites": 5,
"nelements": 4,
"elements": [
"La",
"Cu",
"Si",
"Ni"
],
"chemical_system": "Cu-La-Ni-Si",
"density": 6.276168940782574,
"density_atomic": 0.059555755607171884,
"volume": 83.95494186959631,
"volume_molar": 10.111769548726532,
"formula_full": "La1 Cu1 Si2 Ni1",
"formula_reduced": "LaCuSi2Ni",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.7315750099999998,
"spacegroup": 119
},
{
"id": "jvasp-29435",
"created_at": "2022-09-04T14:38:04.713138Z",
"updated_at": "2022-09-04T14:38:04.713156Z",
"structure_string": "K4 Na4 Zn4 O8\n1.0\n5.601417 0.029949 0.000000\n-1.373935 5.674032 0.000000\n0.000000 0.000000 9.599563\nK Na Zn O\n4 4 4 8\ndirect\n0.500011 0.750056 0.377603 K\n0.000010 0.750056 0.122397 K\n-0.000011 0.249944 0.877603 K\n0.499989 0.249944 0.622397 K\n0.999960 0.749958 0.477352 Na\n0.499960 0.749958 0.022648 Na\n0.500040 0.250042 0.977351 Na\n0.000040 0.250042 0.522648 Na\n0.000127 0.750014 0.760397 Zn\n0.499872 0.249985 0.260398 Zn\n0.500127 0.750014 0.739602 Zn\n0.999873 0.249985 0.239602 Zn\n0.295663 0.431686 0.141250 O\n0.704099 0.068234 0.141281 O\n0.204336 0.568314 0.641250 O\n0.295901 0.931766 0.858719 O\n0.704337 0.568314 0.858750 O\n0.795663 0.431686 0.358750 O\n0.795901 0.931766 0.641280 O\n0.204099 0.068234 0.358719 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Na",
"Zn",
"O"
],
"chemical_system": "K-Na-O-Zn",
"density": 3.4678114453713547,
"density_atomic": 0.06546767873881545,
"volume": 305.4942589272239,
"volume_molar": 9.198647143158144,
"formula_full": "K4 Na4 Zn4 O8",
"formula_reduced": "KNaZnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.03302288,
"spacegroup": 15
},
{
"id": "jvasp-29388",
"created_at": "2022-09-04T14:38:01.870376Z",
"updated_at": "2022-09-04T14:38:01.870395Z",
"structure_string": "Mn2 Sb2 S4 Br2\n1.0\n3.639706 -0.000000 -0.000000\n-1.819853 6.261624 -0.161851\n-0.000000 -0.095943 8.856506\nMn Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.707434 0.414867 0.789683 Sb\n0.292567 0.585132 0.210318 Sb\n0.620922 0.241844 0.045274 S\n0.057620 0.115240 0.750324 S\n0.379080 0.758156 0.954727 S\n0.942382 0.884760 0.249676 S\n0.371924 0.743846 0.550691 Br\n0.628078 0.256154 0.449309 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"S",
"Br"
],
"chemical_system": "Br-Mn-S-Sb",
"density": 5.278704617725789,
"density_atomic": 0.04955710342163087,
"volume": 201.78741914998938,
"volume_molar": 12.151922417183556,
"formula_full": "Mn2 Sb2 S4 Br2",
"formula_reduced": "MnSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.974259489275862,
"spacegroup": 12
},
{
"id": "jvasp-43686",
"created_at": "2022-09-04T14:38:11.304681Z",
"updated_at": "2022-09-04T14:38:11.304706Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n6.487550 -0.002366 0.023277\n-0.538011 6.465204 -0.023277\n-0.600096 0.552434 5.190658\nLi Mn O F\n4 4 4 8\ndirect\n0.218466 0.609416 0.665813 Li\n0.390583 0.781533 0.165813 Li\n0.609416 0.218465 0.834188 Li\n0.781534 0.390582 0.334187 Li\n0.089407 0.089407 0.750000 Mn\n0.259539 0.259538 0.250000 Mn\n0.740461 0.740460 0.750000 Mn\n0.910593 0.910591 0.250000 Mn\n0.001393 0.193359 0.401128 O\n0.806640 -0.001395 0.901129 O\n0.193359 0.001393 0.098872 O\n-0.001394 0.806640 0.598872 O\n0.128402 0.376879 0.867180 F\n0.290781 0.536783 0.355797 F\n0.376879 0.128401 0.632821 F\n0.463216 0.709217 0.855797 F\n0.536784 0.290781 0.144203 F\n0.623120 0.871597 0.367180 F\n0.709218 0.463215 0.644204 F\n0.871598 0.623119 0.132820 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.5326044823404295,
"density_atomic": 0.09179631194920015,
"volume": 217.8736767885397,
"volume_molar": 6.560329747596655,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0017282612758618,
"spacegroup": 15
},
{
"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,
"nelements": 4,
"elements": [
"La",
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-La-Mn-Si",
"density": 6.057175824740639,
"density_atomic": 0.059630587979685616,
"volume": 83.84958407090255,
"volume_molar": 10.09907995884858,
"formula_full": "La1 Mn1 Fe1 Si2",
"formula_reduced": "LaMnFeSi2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.258312988275862,
"spacegroup": 119
},
{
"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-12488",
"created_at": "2022-09-04T14:38:09.569071Z",
"updated_at": "2022-09-04T14:38:09.569101Z",
"structure_string": "Bi2 Pb2 Cl2 O4\n1.0\n5.636503 -0.000000 0.000000\n-0.000000 5.174483 -2.343406\n0.000000 -0.019308 6.841966\nBi Pb Cl O\n2 2 2 4\ndirect\n0.750000 0.090626 0.181252 Bi\n0.250000 0.909373 0.818748 Bi\n0.750000 0.392609 0.785219 Pb\n0.250000 0.607390 0.214781 Pb\n0.750000 0.745612 0.491224 Cl\n0.250000 0.254387 0.508776 Cl\n0.500000 0.238637 -0.000000 O\n0.000000 0.761363 -0.000001 O\n0.500000 0.761363 -0.000001 O\n0.000000 0.238637 -0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Bi",
"Pb",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Pb",
"density": 8.059202604242502,
"density_atomic": 0.05017620054338723,
"volume": 199.2976728350132,
"volume_molar": 12.001986389528778,
"formula_full": "Bi2 Pb2 Cl2 O4",
"formula_reduced": "BiPbClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0105812375,
"spacegroup": 63
},
{
"id": "jvasp-56546",
"created_at": "2022-09-04T14:37:40.216001Z",
"updated_at": "2022-09-04T14:37:40.216014Z",
"structure_string": "Cd4 Bi4 Se8 Br4\n1.0\n4.173554 0.000000 0.000000\n0.000000 10.023037 0.000000\n0.000000 0.000000 13.294841\nCd Bi Se Br\n4 4 8 4\ndirect\n0.749999 0.506003 0.736708 Cd\n0.749999 0.006003 0.763292 Cd\n0.250000 0.493997 0.263292 Cd\n0.250000 0.993997 0.236708 Cd\n0.749999 0.306101 0.025963 Bi\n0.250000 0.193900 0.525963 Bi\n0.749999 0.806101 0.474037 Bi\n0.250000 0.693900 0.974036 Bi\n0.749999 0.556561 0.113354 Se\n0.250000 0.943439 0.613354 Se\n0.250000 0.443439 0.886646 Se\n0.749999 0.748978 0.830652 Se\n0.250000 0.251022 0.169348 Se\n0.749999 0.248978 0.669348 Se\n0.250000 0.751023 0.330652 Se\n0.749999 0.056561 0.386646 Se\n0.749999 0.925169 0.103042 Br\n0.250000 0.574832 0.603042 Br\n0.749999 0.425169 0.396958 Br\n0.250000 0.074832 0.896958 Br\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Se",
"Br"
],
"chemical_system": "Bi-Br-Cd-Se",
"density": 6.678819295657802,
"density_atomic": 0.035961804631055215,
"volume": 556.145616305606,
"volume_molar": 16.745935922246552,
"formula_full": "Cd4 Bi4 Se8 Br4",
"formula_reduced": "CdBiSe2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2455809776666668,
"spacegroup": 62
},
{
"id": "jvasp-41340",
"created_at": "2022-09-04T14:37:39.224007Z",
"updated_at": "2022-09-04T14:37:39.224034Z",
"structure_string": "Ba2 Yb2 Cd2 Sb4\n1.0\n4.742325 -0.000000 -0.000000\n0.000000 -0.000000 7.395827\n2.371162 -9.379123 -0.000000\nYb Ba Cd Sb\n2 2 2 4\ndirect\n0.480598 0.222214 0.038807 Yb\n0.519403 0.722215 0.961193 Yb\n0.302420 0.526541 0.395162 Ba\n0.697580 0.026539 0.604838 Ba\n0.906424 0.892470 0.187150 Cd\n0.093576 0.392469 0.812849 Cd\n0.940694 0.500823 0.118615 Sb\n0.333841 0.013814 0.332319 Sb\n0.666160 0.513815 0.667679 Sb\n0.059308 0.000822 0.881384 Sb\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb-Yb",
"density": 6.726781390486635,
"density_atomic": 0.030399028969964118,
"volume": 328.9578759203309,
"volume_molar": 19.81030632902847,
"formula_full": "Ba2 Yb2 Cd2 Sb4",
"formula_reduced": "BaYbCdSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"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-26408",
"created_at": "2022-09-04T14:37:40.735780Z",
"updated_at": "2022-09-04T14:37:40.735800Z",
"structure_string": "Sr2 Bi2 I2 O4\n1.0\n0.000000 5.925234 0.000001\n5.817488 0.000000 0.000000\n0.000000 -2.962543 -6.769170\nSr Bi I O\n2 2 2 4\ndirect\n0.594047 0.750000 0.188095 Sr\n0.405953 0.250000 0.811905 Sr\n0.924552 0.750000 0.849105 Bi\n0.075448 0.250000 0.150895 Bi\n0.255031 0.750000 0.510062 I\n0.744969 0.250000 0.489938 I\n0.233281 0.499999 0.000001 O\n0.233281 0.000001 0.000001 O\n0.766719 -0.000001 -0.000001 O\n0.766719 0.500001 -0.000001 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-O-Sr",
"density": 6.483277072995382,
"density_atomic": 0.042857181735935834,
"volume": 233.33312166009694,
"volume_molar": 14.051649026073088,
"formula_full": "Sr2 Bi2 I2 O4",
"formula_reduced": "SrBiIO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6295847770000002,
"spacegroup": 63
},
{
"id": "jvasp-56458",
"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"N"
],
"chemical_system": "Ba-Ga-Ge-N",
"density": 5.242309445700386,
"density_atomic": 0.03662202960115092,
"volume": 273.0596886330333,
"volume_molar": 16.444038808298984,
"formula_full": "Ba4 Ga2 Ge2 N2",
"formula_reduced": "Ba2GaGeN",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.929606693,
"spacegroup": 11
}
]
}