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=-nelements&page=214",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=212",
"results": [
{
"id": "jvasp-109850",
"created_at": "2022-09-04T14:38:37.007291Z",
"updated_at": "2022-09-04T14:38:37.007311Z",
"structure_string": "K2 Y1 Hg1 Cl6\n1.0\n6.704706 -0.000000 3.870964\n2.234902 6.321257 3.870964\n-0.000000 -0.000000 7.741927\nK Y Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Hg\n0.761589 0.238411 0.238410 Cl\n0.238411 0.238411 0.761589 Cl\n0.238411 0.761589 0.761589 Cl\n0.238411 0.761589 0.238411 Cl\n0.761589 0.238411 0.761589 Cl\n0.761589 0.761589 0.238410 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"Hg",
"Cl"
],
"chemical_system": "Cl-Hg-K-Y",
"density": 2.9373254091830456,
"density_atomic": 0.030476686072998572,
"volume": 328.11966419340126,
"volume_molar": 19.75982803896594,
"formula_full": "K2 Y1 Hg1 Cl6",
"formula_reduced": "K2YHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-55180",
"created_at": "2022-09-04T14:38:35.641641Z",
"updated_at": "2022-09-04T14:38:35.641664Z",
"structure_string": "Cu4 Te4 Cl4 O10\n1.0\n7.602315 -0.000000 -0.000000\n0.000000 7.602315 0.000000\n-0.000000 0.000000 6.382054\nCu Te Cl O\n4 4 4 10\ndirect\n0.452007 0.735388 0.844158 Cu\n0.547994 0.264612 0.844158 Cu\n0.735388 0.547994 0.155842 Cu\n0.264612 0.452007 0.155842 Cu\n0.654008 0.169905 0.359221 Te\n0.169905 0.345993 0.640778 Te\n0.830096 0.654008 0.640778 Te\n0.345993 0.830096 0.359221 Te\n0.093252 0.213352 0.195662 Cl\n0.906749 0.786649 0.195662 Cl\n0.786649 0.093252 0.804338 Cl\n0.213352 0.906749 0.804338 Cl\n0.668051 0.591400 0.862412 O\n0.500000 0.000000 0.214240 O\n0.331949 0.408601 0.862412 O\n0.529853 0.774376 0.554668 O\n0.774376 0.470147 0.445331 O\n0.470147 0.225625 0.554668 O\n0.408601 0.668051 0.137588 O\n-0.000000 0.500000 0.785759 O\n0.225625 0.529853 0.445331 O\n0.591400 0.331949 0.137588 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cu",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Te",
"density": 4.800792836673395,
"density_atomic": 0.05964451139872225,
"volume": 368.8520449590153,
"volume_molar": 10.09672242889563,
"formula_full": "Cu4 Te4 Cl4 O10",
"formula_reduced": "Cu2Te2Cl2O5",
"formula_anonymous": "A2B2C2D5",
"energy_above_hull": 1.375415642575757,
"spacegroup": 81
},
{
"id": "jvasp-46721",
"created_at": "2022-09-04T14:38:31.111658Z",
"updated_at": "2022-09-04T14:38:31.111685Z",
"structure_string": "Li8 Cr3 Sb1 O12\n1.0\n4.958603 0.022351 0.010755\n-0.026547 4.977815 0.008882\n-0.018326 -0.015356 8.484632\nLi Cr Sb O\n8 3 1 12\ndirect\n0.500104 -0.001309 0.073520 Li\n0.500041 0.499756 0.249452 Li\n0.500031 0.499329 0.934431 Li\n0.000054 0.500211 0.280981 Li\n0.000009 0.500296 0.577261 Li\n0.499964 0.999880 0.764818 Li\n-0.000037 0.000189 0.739697 Li\n0.000043 0.000392 0.444781 Li\n0.499981 0.500006 0.598231 Cr\n0.500017 0.999992 0.426051 Cr\n-0.000022 0.500137 0.901917 Cr\n0.000038 0.000200 0.099396 Sb\n0.251459 0.845324 0.259853 O\n0.224777 0.826513 0.925544 O\n0.281736 0.824536 0.582313 O\n0.716711 0.675534 0.435031 O\n0.776892 0.667107 0.080158 O\n0.750352 0.643899 0.754779 O\n0.249544 0.356173 0.754777 O\n0.223010 0.333247 0.080166 O\n0.283262 0.324492 0.435020 O\n0.718178 0.175498 0.582357 O\n0.775155 0.173638 0.925569 O\n0.748721 0.154779 0.259974 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Li-O-Sb",
"density": 4.164721557974982,
"density_atomic": 0.11459515645751472,
"volume": 209.43293540419236,
"volume_molar": 5.255144236600141,
"formula_full": "Li8 Cr3 Sb1 O12",
"formula_reduced": "Li8Cr3SbO12",
"formula_anonymous": "AB3C8D12",
"energy_above_hull": 2.5940379291666678,
"spacegroup": 3
},
{
"id": "jvasp-119747",
"created_at": "2022-09-04T14:38:37.024117Z",
"updated_at": "2022-09-04T14:38:37.024151Z",
"structure_string": "Li4 V4 Ni4 O16\n1.0\n4.839407 0.000004 -0.000124\n-0.000005 5.940874 -0.000000\n0.000262 -0.000000 10.161987\nLi V Ni O\n4 4 4 16\ndirect\n1.000000 -0.000001 0.000001 Li\n0.500000 -0.000000 0.500000 Li\n1.000001 0.500000 0.000001 Li\n0.500001 0.500000 0.500001 Li\n0.428804 0.249999 0.094690 V\n0.071198 0.250000 0.594691 V\n0.928803 0.749999 0.405311 V\n0.571197 0.749999 0.905310 V\n0.003664 0.750000 0.734040 Ni\n0.996339 0.249999 0.265961 Ni\n0.496337 0.749999 0.234040 Ni\n0.503664 0.250000 0.765961 Ni\n0.772248 0.515047 0.331304 O\n0.727754 0.515047 0.831304 O\n0.227753 0.484951 0.668697 O\n0.272247 0.484950 0.168697 O\n0.227753 0.015048 0.668697 O\n0.272247 0.015048 0.168697 O\n0.213829 0.749999 0.905321 O\n0.293950 0.250000 0.937174 O\n0.713830 0.249999 0.594681 O\n0.786170 0.249999 0.094680 O\n0.706051 0.749999 0.062828 O\n0.793951 0.749999 0.562828 O\n0.772248 0.984951 0.331304 O\n0.206051 0.250000 0.437173 O\n0.286172 0.749999 0.405320 O\n0.727754 0.984951 0.831304 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-V",
"density": 4.105272401126392,
"density_atomic": 0.09583781555094698,
"volume": 292.16024842631475,
"volume_molar": 6.2836790732137,
"formula_full": "Li4 V4 Ni4 O16",
"formula_reduced": "LiVNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.274232942857143,
"spacegroup": 62
},
{
"id": "jvasp-112623",
"created_at": "2022-09-04T14:38:41.872978Z",
"updated_at": "2022-09-04T14:38:41.872993Z",
"structure_string": "Ti1 Nb6 Tl2 O18\n1.0\n7.662107 -0.003401 0.009056\n3.833983 6.633889 0.009056\n-0.009861 -0.005687 8.299046\nTi Nb Tl O\n1 6 2 18\ndirect\n0.997173 0.002827 0.500001 Ti\n0.332308 0.835253 0.847313 Nb\n0.829631 0.337928 0.847307 Nb\n0.829627 0.835251 0.847306 Nb\n0.662072 0.170370 0.152694 Nb\n0.164747 0.667692 0.152689 Nb\n0.164748 0.170373 0.152695 Nb\n0.330509 0.336071 0.713494 Tl\n0.663929 0.669491 0.286508 Tl\n0.756572 0.123113 0.363814 O\n0.283759 0.859529 0.102180 O\n0.140482 0.146124 0.897808 O\n0.140471 0.716241 0.897822 O\n0.710622 0.146099 0.897804 O\n0.117492 0.123087 0.363802 O\n0.117465 0.762260 0.363786 O\n0.876913 0.882508 0.636200 O\n0.446616 0.103949 0.160765 O\n0.237740 0.882535 0.636216 O\n0.446611 0.452243 0.160790 O\n0.853900 0.289378 0.102197 O\n0.098298 0.452255 0.160851 O\n0.547758 0.553389 0.839211 O\n0.547745 0.901702 0.839151 O\n0.896051 0.553384 0.839236 O\n0.876888 0.243428 0.636188 O\n0.853875 0.859518 0.102193 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Tl",
"O"
],
"chemical_system": "Nb-O-Ti-Tl",
"density": 5.124171555436101,
"density_atomic": 0.06398924270810599,
"volume": 421.9459218038176,
"volume_molar": 9.41117679337238,
"formula_full": "Ti1 Nb6 Tl2 O18",
"formula_reduced": "TiNb6Tl2O18",
"formula_anonymous": "AB2C6D18",
"energy_above_hull": 3.6489793679012346,
"spacegroup": 164
},
{
"id": "jvasp-111932",
"created_at": "2022-09-04T14:38:41.843499Z",
"updated_at": "2022-09-04T14:38:41.843519Z",
"structure_string": "Li3 Nb1 V4 O8\n1.0\n5.045924 0.025714 2.870372\n1.657410 4.766026 2.870372\n-0.081457 -0.058228 5.988878\nLi Nb V O\n3 1 4 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.499999 -0.000001 0.500001 Li\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Nb\n0.000000 0.000000 0.000000 V\n0.500000 -0.000000 0.000000 V\n-0.000000 0.500000 -0.000000 V\n0.499999 0.500000 0.500000 V\n0.245387 0.245387 0.251493 O\n0.755582 0.239860 0.260670 O\n0.239860 0.755583 0.260670 O\n0.754612 0.754613 0.748507 O\n0.751317 0.751318 0.244370 O\n0.244417 0.760140 0.739330 O\n0.760139 0.244417 0.739330 O\n0.248681 0.248682 0.755630 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 5.086110971325149,
"density_atomic": 0.11000646056627351,
"volume": 145.4460030587093,
"volume_molar": 5.474351896243363,
"formula_full": "Li3 Nb1 V4 O8",
"formula_reduced": "Li3NbV4O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.3113302625,
"spacegroup": 12
},
{
"id": "jvasp-111099",
"created_at": "2022-09-04T14:38:37.050690Z",
"updated_at": "2022-09-04T14:38:37.050723Z",
"structure_string": "Ca1 Mg1 P2 Se6\n1.0\n5.873482 -0.116906 5.085376\n2.253175 5.425371 5.085376\n-0.178969 -0.116906 7.767033\nCa Mg P Se\n1 1 2 6\ndirect\n0.828929 0.828926 0.828929 Ca\n0.171292 0.171291 0.171292 Mg\n0.555197 0.555195 0.555197 P\n0.443591 0.443590 0.443591 P\n0.916625 0.272936 0.573782 Se\n0.573782 0.916624 0.272938 Se\n0.272938 0.573780 0.916625 Se\n0.110653 0.754797 0.372200 Se\n0.372200 0.110651 0.754798 Se\n0.754798 0.372199 0.110653 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"P",
"Se"
],
"chemical_system": "Ca-Mg-P-Se",
"density": 3.8811769391606257,
"density_atomic": 0.03894911336771659,
"volume": 256.74525388012074,
"volume_molar": 15.461560583280233,
"formula_full": "Ca1 Mg1 P2 Se6",
"formula_reduced": "CaMg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.481390067,
"spacegroup": 146
},
{
"id": "jvasp-116517",
"created_at": "2022-09-04T14:38:42.570304Z",
"updated_at": "2022-09-04T14:38:42.570319Z",
"structure_string": "Li3 V3 Co1 O8\n1.0\n3.263798 -0.020614 9.716512\n-1.675910 2.867215 9.698101\n-0.059193 -0.004103 14.555426\nLi V Co O\n3 3 1 8\ndirect\n-0.000061 0.506681 0.496798 Li\n0.506612 0.000039 0.496798 Li\n0.493150 0.493415 0.510183 Li\n0.000022 0.519710 0.987242 V\n0.519762 -0.000002 0.987196 V\n0.480284 0.480252 0.026679 V\n0.000037 -0.000012 -0.001613 Co\n-0.000027 0.000007 0.258933 O\n-0.000034 0.508203 0.252462 O\n0.508166 0.000004 0.252467 O\n0.000061 -0.000009 0.750445 O\n0.491809 0.491818 0.268829 O\n0.000079 0.492868 0.742583 O\n0.492974 -0.000045 0.742599 O\n0.507184 0.507091 0.728370 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.3525039424520315,
"density_atomic": 0.10903969915526039,
"volume": 137.56457617002107,
"volume_molar": 5.52288827523739,
"formula_full": "Li3 V3 Co1 O8",
"formula_reduced": "Li3V3CoO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.972304766666667,
"spacegroup": 160
},
{
"id": "jvasp-26329",
"created_at": "2022-09-04T14:38:31.221354Z",
"updated_at": "2022-09-04T14:38:31.221377Z",
"structure_string": "Sm1 Bi2 Cl1 O4\n1.0\n3.930558 0.000000 0.000000\n0.000000 3.930558 0.000000\n0.000000 -0.000000 9.021484\nSm Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.282634 Bi\n0.500000 0.500000 0.717366 Bi\n0.000000 0.000000 0.500000 Cl\n0.500000 0.000000 0.841168 O\n0.000000 0.500000 0.841168 O\n0.000000 0.500000 0.158831 O\n0.500000 0.000000 0.158831 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sm",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-O-Sm",
"density": 7.955921889019103,
"density_atomic": 0.05739890208870328,
"volume": 139.37548818681125,
"volume_molar": 10.491735104433682,
"formula_full": "Sm1 Bi2 Cl1 O4",
"formula_reduced": "SmBi2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6301006928125,
"spacegroup": 123
},
{
"id": "jvasp-104914",
"created_at": "2022-09-04T14:38:42.564632Z",
"updated_at": "2022-09-04T14:38:42.564666Z",
"structure_string": "Ti1 Cu2 Ni1 O4\n1.0\n2.973515 0.024331 11.334278\n1.482512 2.577701 11.334278\n0.041668 0.024331 11.717760\nTi Cu Ni O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752507 0.752503 0.752504 Cu\n0.247496 0.247495 0.247495 Cu\n0.500001 0.499999 0.500000 Ni\n0.195118 0.195117 0.195118 O\n0.698358 0.698355 0.698356 O\n0.804884 0.804881 0.804882 O\n0.301645 0.301643 0.301644 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O-Ti",
"density": 5.630987229787301,
"density_atomic": 0.09114220790125416,
"volume": 87.77491992148586,
"volume_molar": 6.60741153706145,
"formula_full": "Ti1 Cu2 Ni1 O4",
"formula_reduced": "TiCu2NiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7989869541666663,
"spacegroup": 166
},
{
"id": "jvasp-19361",
"created_at": "2022-09-04T14:38:35.655187Z",
"updated_at": "2022-09-04T14:38:35.655201Z",
"structure_string": "Zn4 Sn2 Sb2 O12\n1.0\n0.000000 5.414818 -0.009724\n8.043126 0.000000 0.000000\n0.000000 -0.001640 -5.417855\nZn Sn Sb O\n4 2 2 12\ndirect\n0.528429 0.750000 0.511090 Zn\n0.471572 0.250000 0.488908 Zn\n0.022781 0.750000 0.988575 Zn\n0.977219 0.250000 0.011423 Zn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.329248 0.572636 0.337893 O\n0.899773 0.750000 0.628047 O\n0.670753 0.072635 0.662106 O\n0.596390 0.250000 0.121018 O\n0.832307 0.927909 0.168157 O\n0.167693 0.072091 0.831842 O\n0.832307 0.572091 0.168157 O\n0.329248 0.927365 0.337893 O\n0.403610 0.750000 0.878980 O\n0.670753 0.427365 0.662106 O\n0.167693 0.427909 0.831842 O\n0.100227 0.250000 0.371951 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Sn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sn-Zn",
"density": 6.576942210068109,
"density_atomic": 0.08476052650827433,
"volume": 235.95889294113337,
"volume_molar": 7.104888334326378,
"formula_full": "Zn4 Sn2 Sb2 O12",
"formula_reduced": "Zn2SnSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.44668396,
"spacegroup": 11
},
{
"id": "jvasp-26874",
"created_at": "2022-09-04T14:38:31.528512Z",
"updated_at": "2022-09-04T14:38:31.528538Z",
"structure_string": "Dy6 Cu2 Ge2 Se14\n1.0\n5.136107 -8.895998 -0.000000\n5.136107 8.895998 -0.000000\n0.000000 0.000000 6.123607\nDy Cu Ge Se\n6 2 2 14\ndirect\n0.217736 0.357016 0.417203 Dy\n0.860720 0.217736 0.917203 Dy\n0.357016 0.139280 0.917203 Dy\n0.642984 0.860720 0.417203 Dy\n0.139280 0.782264 0.417203 Dy\n0.782264 0.642984 0.917203 Dy\n0.000000 0.000000 0.479871 Cu\n0.000000 0.000000 0.979872 Cu\n0.666667 0.333333 0.335141 Ge\n0.333333 0.666667 0.835141 Ge\n0.481092 0.571633 0.668480 Se\n0.909460 0.481093 0.168480 Se\n0.571633 0.090540 0.168480 Se\n0.428368 0.909460 0.668480 Se\n0.090540 0.518908 0.668480 Se\n0.518908 0.428368 0.168480 Se\n0.158053 0.264524 0.959213 Se\n0.841948 0.735476 0.459213 Se\n0.893529 0.158053 0.459213 Se\n0.106472 0.841947 0.959213 Se\n0.333333 0.666667 0.221621 Se\n0.264524 0.106471 0.459213 Se\n0.735476 0.893529 0.959213 Se\n0.666667 0.333333 0.721621 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Cu",
"Ge",
"Se"
],
"chemical_system": "Cu-Dy-Ge-Se",
"density": 6.98184620689148,
"density_atomic": 0.04288892845201673,
"volume": 559.5849760352655,
"volume_molar": 14.041247886939983,
"formula_full": "Dy6 Cu2 Ge2 Se14",
"formula_reduced": "Dy3CuGeSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.3482974555555556,
"spacegroup": 173
}
]
}