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=-id&page=454",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=452",
"results": [
{
"id": "jvasp-89182",
"created_at": "2022-09-04T14:36:08.895407Z",
"updated_at": "2022-09-04T14:36:08.895431Z",
"structure_string": "Mg8 Si4 O16\n1.0\n4.794369 -0.000000 0.000000\n-0.000000 6.010511 0.000000\n0.000000 0.000000 10.242992\nMg Si O\n8 4 16\ndirect\n0.490997 0.750000 0.776980 Mg\n0.990997 0.250000 0.723019 Mg\n0.509003 0.250000 0.223020 Mg\n0.009003 0.750000 0.276980 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.572768 0.750000 0.094076 Si\n0.427233 0.250000 0.905924 Si\n0.927233 0.750000 0.594076 Si\n0.072767 0.250000 0.405924 Si\n0.232309 0.750000 0.091530 O\n0.732309 0.250000 0.408470 O\n0.276161 0.468216 0.836803 O\n0.722166 0.750000 0.946157 O\n0.222166 0.250000 0.553843 O\n0.277834 0.250000 0.053843 O\n0.777835 0.750000 0.446157 O\n0.776161 0.968216 0.663196 O\n0.276161 0.031784 0.836803 O\n0.223839 0.468216 0.336804 O\n0.723839 0.531784 0.163196 O\n0.223839 0.031784 0.336804 O\n0.723839 0.968216 0.163196 O\n0.776161 0.531784 0.663196 O\n0.267691 0.750000 0.591530 O\n0.767691 0.250000 0.908470 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.166009409514528,
"density_atomic": 0.09486114118403019,
"volume": 295.1682812425809,
"volume_molar": 6.348374776893179,
"formula_full": "Mg8 Si4 O16",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3684486714285713,
"spacegroup": 62
},
{
"id": "jvasp-89179",
"created_at": "2022-09-04T14:36:04.756372Z",
"updated_at": "2022-09-04T14:36:04.756395Z",
"structure_string": "K4 Pd8 F20\n1.0\n6.104313 0.000000 0.000000\n0.000000 7.487439 0.000000\n0.000000 0.000000 10.727214\nK Pd F\n4 8 20\ndirect\n0.483793 0.750000 0.865531 K\n0.983793 0.750000 0.634468 K\n0.516206 0.250000 0.134468 K\n0.016207 0.250000 0.365532 K\n0.309556 0.750000 0.213755 Pd\n0.690444 0.250000 0.786245 Pd\n0.190444 0.250000 0.713755 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.809555 0.750000 0.286245 Pd\n0.179273 0.066910 0.579674 F\n0.679272 0.433090 0.920326 F\n0.820727 0.566910 0.420326 F\n0.320727 0.933090 0.079674 F\n0.708648 0.053829 0.661120 F\n0.549554 0.250000 0.399543 F\n0.049555 0.250000 0.100456 F\n0.679272 0.066910 0.920326 F\n0.179273 0.433090 0.579674 F\n0.320727 0.566910 0.079674 F\n0.820727 0.933090 0.420326 F\n0.208648 0.053829 0.838880 F\n0.708648 0.446172 0.661120 F\n0.791352 0.553829 0.161120 F\n0.291352 0.946172 0.338880 F\n0.791352 0.946172 0.161120 F\n0.291352 0.553829 0.338880 F\n0.208648 0.446172 0.838880 F\n0.950445 0.750000 0.899543 F\n0.450445 0.750000 0.600456 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Pd",
"F"
],
"chemical_system": "F-K-Pd",
"density": 4.699961545777555,
"density_atomic": 0.06526689355113219,
"volume": 490.294516237856,
"volume_molar": 9.226945595751483,
"formula_full": "K4 Pd8 F20",
"formula_reduced": "KPd2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.2482173893749999,
"spacegroup": 62
},
{
"id": "jvasp-89178",
"created_at": "2022-09-04T14:36:00.092906Z",
"updated_at": "2022-09-04T14:36:00.092934Z",
"structure_string": "Na4 Ir1 O4\n1.0\n4.290662 -0.000000 1.995206\n2.145331 5.052366 0.997603\n0.014989 -0.000000 5.578873\nNa Ir O\n4 1 4\ndirect\n0.410055 0.787101 0.392788 Na\n0.589944 0.212900 0.607210 Na\n0.802844 0.607211 0.787100 Na\n0.197155 0.392789 0.212900 Na\n0.000000 0.000000 0.000000 Ir\n0.742377 0.342864 0.172380 O\n0.257622 0.657137 0.827620 O\n0.914758 0.827621 0.342864 O\n0.085242 0.172380 0.657136 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Ir",
"O"
],
"chemical_system": "Ir-Na-O",
"density": 4.7865475832362305,
"density_atomic": 0.07451090844711303,
"volume": 120.78768314022227,
"volume_molar": 8.082226999385528,
"formula_full": "Na4 Ir1 O4",
"formula_reduced": "Na4IrO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.3443156777777776,
"spacegroup": 87
},
{
"id": "jvasp-89176",
"created_at": "2022-09-04T14:35:56.570500Z",
"updated_at": "2022-09-04T14:35:56.570517Z",
"structure_string": "Ta2 Te8 I2\n1.0\n6.614387 0.019926 -1.472057\n-2.233485 7.022393 -3.005136\n-0.021671 0.000891 8.572797\nTa Te I\n2 8 2\ndirect\n0.750551 0.998626 0.001199 Ta\n0.249451 0.001374 0.998801 Ta\n0.118601 0.328992 0.167928 Te\n0.035127 0.881527 0.212897 Te\n0.382684 0.855286 0.689791 Te\n0.617317 0.144713 0.310209 Te\n0.881400 0.671008 0.832071 Te\n0.537745 0.252653 0.923624 Te\n0.462256 0.747347 0.076375 Te\n0.964874 0.118473 0.787102 Te\n0.249449 0.400186 0.574107 I\n0.750552 0.599814 0.425893 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Te",
"I"
],
"chemical_system": "I-Ta-Te",
"density": 6.821398403038297,
"density_atomic": 0.030122312299377087,
"volume": 398.37579136473374,
"volume_molar": 19.992292424790158,
"formula_full": "Ta2 Te8 I2",
"formula_reduced": "TaTe4I",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8143810902777784,
"spacegroup": 2
},
{
"id": "jvasp-89142",
"created_at": "2022-09-04T14:35:53.450912Z",
"updated_at": "2022-09-04T14:35:53.450935Z",
"structure_string": "Ba2 V2 Se6\n1.0\n6.997222 0.000000 0.000000\n-3.498611 6.059772 -0.000000\n-0.000000 0.000000 5.949371\nBa V Se\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.167854 0.832146 0.250000 Se\n0.832146 0.664291 0.750000 Se\n0.167854 0.335708 0.250000 Se\n0.832146 0.167854 0.750000 Se\n0.335708 0.167854 0.750000 Se\n0.664291 0.832146 0.250000 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"V",
"Se"
],
"chemical_system": "Ba-Se-V",
"density": 5.5971475413220695,
"density_atomic": 0.039641219903137105,
"volume": 252.26267063513413,
"volume_molar": 15.191613110582962,
"formula_full": "Ba2 V2 Se6",
"formula_reduced": "BaVSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.508876054,
"spacegroup": 194
},
{
"id": "jvasp-89134",
"created_at": "2022-09-04T14:35:50.400905Z",
"updated_at": "2022-09-04T14:35:50.400931Z",
"structure_string": "Tl4 Cd4 I12\n1.0\n4.436568 0.000000 0.000000\n-0.000000 10.134274 0.000000\n0.000000 0.000000 16.361685\nTl Cd I\n4 4 12\ndirect\n0.750000 0.559515 0.175758 Tl\n0.750000 0.059515 0.324242 Tl\n0.250000 0.940484 0.675758 Tl\n0.250000 0.440484 0.824242 Tl\n0.250000 0.667405 0.443434 Cd\n0.750000 0.832595 0.943435 Cd\n0.250000 0.167405 0.056566 Cd\n0.750000 0.332595 0.556566 Cd\n0.250000 0.023716 0.892133 I\n0.750000 0.476284 0.392133 I\n0.250000 0.523716 0.607867 I\n0.750000 0.838483 0.510191 I\n0.750000 0.338483 0.989809 I\n0.250000 0.661516 0.010191 I\n0.750000 0.708311 0.783626 I\n0.250000 0.291688 0.216374 I\n0.750000 0.208312 0.716374 I\n0.250000 0.791688 0.283626 I\n0.750000 0.976283 0.107867 I\n0.250000 0.161516 0.489809 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"I"
],
"chemical_system": "Cd-I-Tl",
"density": 6.297820663660184,
"density_atomic": 0.027187056133691184,
"volume": 735.6441941213075,
"volume_molar": 22.150764431376388,
"formula_full": "Tl4 Cd4 I12",
"formula_reduced": "TlCdI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-89132",
"created_at": "2022-09-04T14:35:42.482511Z",
"updated_at": "2022-09-04T14:35:42.482534Z",
"structure_string": "Na12 Nb4 O16\n1.0\n5.623291 0.002622 -1.243043\n-2.188177 8.210025 -1.325734\n0.009634 -0.003257 8.599423\nNa Nb O\n12 4 16\ndirect\n0.499999 0.499999 0.500000 Na\n-0.000001 0.376030 0.623969 Na\n-0.000000 0.500000 0.000000 Na\n0.999999 0.623969 0.376031 Na\n0.479365 0.626617 0.880965 Na\n0.520633 0.119034 0.373382 Na\n0.520633 0.373382 0.119035 Na\n0.479365 0.880965 0.626618 Na\n0.500000 -0.000000 0.000000 Na\n0.499999 0.740454 0.259546 Na\n0.499999 0.259545 0.740454 Na\n-0.000000 -0.000000 0.500000 Na\n-0.000001 0.866003 0.133997 Nb\n0.971072 0.738371 0.738371 Nb\n0.028926 0.261628 0.261629 Nb\n0.999999 0.133996 0.866003 Nb\n0.233013 0.246352 0.464963 O\n0.800330 0.887044 0.887045 O\n0.227589 0.875204 0.335786 O\n0.227589 0.335786 0.875205 O\n0.772409 0.124795 0.664214 O\n0.789902 0.347286 0.347287 O\n0.210096 0.652713 0.652713 O\n0.193838 0.767156 0.991729 O\n0.806160 0.008270 0.232843 O\n0.806160 0.232843 0.008271 O\n0.193838 0.991728 0.767157 O\n0.233013 0.464963 0.246352 O\n0.766985 0.753647 0.535037 O\n0.766985 0.535036 0.753648 O\n0.199668 0.112955 0.112955 O\n0.772409 0.664213 0.124795 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 3.777847263995253,
"density_atomic": 0.08057872878722411,
"volume": 397.12713865838066,
"volume_molar": 7.473611026927519,
"formula_full": "Na12 Nb4 O16",
"formula_reduced": "Na3NbO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5978663000000002,
"spacegroup": 12
},
{
"id": "jvasp-89125",
"created_at": "2022-09-04T14:36:20.689950Z",
"updated_at": "2022-09-04T14:36:20.689976Z",
"structure_string": "V4 W2 O12\n1.0\n4.664805 -0.000000 0.000000\n0.000000 4.664805 0.000000\n0.000000 0.000000 8.820962\nV W O\n4 2 12\ndirect\n0.000000 0.000000 0.333434 V\n0.499998 0.499998 0.833433 V\n0.499998 0.499998 0.166567 V\n0.000000 0.000000 0.666566 V\n0.000000 0.000000 0.000000 W\n0.499998 0.499998 0.499999 W\n0.702532 0.702532 0.000000 O\n0.298933 0.298933 0.337135 O\n0.201066 0.798933 0.837136 O\n0.701064 0.701064 0.662864 O\n0.297467 0.297467 0.000000 O\n0.798933 0.201066 0.837136 O\n0.798933 0.201066 0.162864 O\n0.201066 0.798933 0.162864 O\n0.701064 0.701064 0.337135 O\n0.298933 0.298933 0.662864 O\n0.202534 0.797465 0.499999 O\n0.797465 0.202534 0.499999 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"W",
"O"
],
"chemical_system": "O-V-W",
"density": 6.604506723584005,
"density_atomic": 0.09377553836189798,
"volume": 191.9477116786524,
"volume_molar": 6.4218674349374485,
"formula_full": "V4 W2 O12",
"formula_reduced": "V2WO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.814491044444445,
"spacegroup": 136
},
{
"id": "jvasp-89103",
"created_at": "2022-09-04T14:36:14.396330Z",
"updated_at": "2022-09-04T14:36:14.396358Z",
"structure_string": "Sn4 Pb8 O16\n1.0\n6.442159 0.000000 0.000000\n0.000000 8.806419 0.000000\n0.000000 -0.000000 8.851024\nSn Pb O\n4 8 16\ndirect\n0.750053 0.000000 0.500000 Sn\n0.249947 0.500000 0.000000 Sn\n0.249947 0.000000 0.500000 Sn\n0.750053 0.500000 0.000000 Sn\n0.500000 0.359550 0.339548 Pb\n0.500000 0.859550 0.160452 Pb\n0.500000 0.140450 0.839548 Pb\n0.000000 0.840814 0.857896 Pb\n0.000000 0.159187 0.142103 Pb\n0.000000 0.340814 0.642103 Pb\n0.000000 0.659187 0.357897 Pb\n0.500000 0.640450 0.660452 Pb\n0.249978 0.666262 0.833891 O\n0.249978 0.333738 0.166108 O\n0.500000 0.096119 0.375031 O\n0.249978 0.166262 0.666108 O\n0.249978 0.833738 0.333892 O\n0.750022 0.666262 0.833891 O\n0.750022 0.333738 0.166108 O\n0.000000 0.374188 0.904486 O\n0.000000 0.625812 0.095514 O\n0.000000 0.874188 0.595513 O\n0.000000 0.125812 0.404486 O\n0.500000 0.403881 0.875031 O\n0.500000 0.596119 0.124969 O\n0.500000 0.903881 0.624968 O\n0.750022 0.833738 0.333892 O\n0.750022 0.166262 0.666108 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sn",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sn",
"density": 7.898368372604578,
"density_atomic": 0.055761407644813195,
"volume": 502.13940398264856,
"volume_molar": 10.799836328307192,
"formula_full": "Sn4 Pb8 O16",
"formula_reduced": "Sn(PbO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.505992477142857,
"spacegroup": 135
},
{
"id": "jvasp-891",
"created_at": "2022-09-04T14:37:47.861064Z",
"updated_at": "2022-09-04T14:37:47.861089Z",
"structure_string": "H1\n1.0\n-2.223347 2.223347 2.223347\n2.223347 -2.223347 2.223347\n2.223347 2.223347 -2.223347\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.03807167989875114,
"density_atomic": 0.02274669279909258,
"volume": 43.962434839753605,
"volume_molar": 26.474797075732425,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 2.50383,
"spacegroup": 229
},
{
"id": "jvasp-89098",
"created_at": "2022-09-04T14:36:08.754081Z",
"updated_at": "2022-09-04T14:36:08.754118Z",
"structure_string": "Zr6 Ga2 Co1\n1.0\n7.817783 -0.000000 0.000000\n-3.908892 6.770399 -0.000000\n0.000000 -0.000000 3.367121\nZr Ga Co\n6 2 1\ndirect\n0.249884 0.000000 0.000000 Zr\n0.750116 0.750116 0.000000 Zr\n0.000000 0.249884 0.000000 Zr\n0.000000 0.594466 0.500000 Zr\n0.405534 0.405534 0.500000 Zr\n0.594465 0.000000 0.500000 Zr\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Zr",
"density": 6.948165437252426,
"density_atomic": 0.05049936427312676,
"volume": 178.2200653323739,
"volume_molar": 11.925181329866133,
"formula_full": "Zr6 Ga2 Co1",
"formula_reduced": "Zr6Ga2Co",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.671644727777779,
"spacegroup": 189
},
{
"id": "jvasp-89097",
"created_at": "2022-09-04T14:36:02.902286Z",
"updated_at": "2022-09-04T14:36:02.902314Z",
"structure_string": "Co12 Mo12 N4\n1.0\n6.725934 -0.000000 3.883220\n2.241978 6.341271 3.883220\n-0.000000 -0.000000 7.766439\nCo Mo N\n12 12 4\ndirect\n0.291324 0.626028 0.291324 Co\n0.708676 0.708676 0.708676 Co\n0.291324 0.291324 0.626028 Co\n0.626028 0.291324 0.291324 Co\n0.708676 0.373972 0.708676 Co\n0.373972 0.708676 0.708676 Co\n0.291324 0.291324 0.291324 Co\n0.708676 0.708676 0.373972 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.670257 0.079743 0.670257 Mo\n0.329743 0.329743 0.920257 Mo\n0.329743 0.920257 0.329743 Mo\n0.920257 0.920257 0.329743 Mo\n0.920256 0.329743 0.920257 Mo\n0.079743 0.670257 0.079743 Mo\n0.670257 0.079743 0.079743 Mo\n0.329743 0.920257 0.920257 Mo\n0.670257 0.670257 0.079743 Mo\n0.920256 0.329743 0.329743 Mo\n0.079743 0.670257 0.670257 Mo\n0.079743 0.079743 0.670257 Mo\n0.000000 0.500000 -0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Co",
"Mo",
"N"
],
"chemical_system": "Co-Mo-N",
"density": 9.597426253552323,
"density_atomic": 0.0845292821659585,
"volume": 331.2461585208648,
"volume_molar": 7.124324974364005,
"formula_full": "Co12 Mo12 N4",
"formula_reduced": "Co3Mo3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 5.346623378571429,
"spacegroup": 227
}
]
}