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{
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"results": [
{
"id": "jvasp-47507",
"created_at": "2022-09-04T14:36:33.895183Z",
"updated_at": "2022-09-04T14:36:33.895199Z",
"structure_string": "Li4 Fe2 P2 O10\n1.0\n6.405503 0.000000 0.000000\n0.000000 6.405503 -0.000000\n0.000000 -0.000000 4.434980\nLi Fe P O\n4 2 2 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.500000 0.000000 0.071398 Fe\n0.000000 0.500000 0.928602 Fe\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.693647 0.500000 0.790740 O\n0.306352 0.500000 0.790740 O\n0.000000 0.500000 0.329324 O\n0.500000 0.306352 0.209260 O\n0.193647 0.000000 0.209260 O\n0.500000 0.000000 0.670676 O\n0.806352 0.000000 0.209260 O\n0.500000 0.693647 0.209260 O\n0.000000 0.193647 0.790740 O\n0.000000 0.806352 0.790740 O\n",
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{
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"updated_at": "2022-09-04T14:36:33.905247Z",
"structure_string": "Li4 Si4 W2 O14\n1.0\n5.352003 -0.019045 0.002512\n0.528986 6.045744 -0.060574\n0.444704 2.774006 8.214664\nLi Si W O\n4 4 2 14\ndirect\n0.304781 0.944137 0.149921 Li\n0.216568 0.807860 0.527589 Li\n0.783431 0.192140 0.472411 Li\n0.695219 0.055862 0.850079 Li\n0.696932 0.734674 0.344677 Si\n0.207231 0.794783 0.875054 Si\n0.792769 0.205216 0.124946 Si\n0.303068 0.265325 0.655323 Si\n0.759497 0.577080 0.719124 W\n0.240503 0.422919 0.280876 W\n0.228300 0.684906 0.070202 O\n0.287849 0.067489 0.840292 O\n0.235371 0.159633 0.509122 O\n0.581399 0.308293 0.230602 O\n0.076233 0.187269 0.192690 O\n0.923766 0.812730 0.807310 O\n0.101768 0.480435 0.654640 O\n0.764629 0.840367 0.490878 O\n0.712150 0.932510 0.159708 O\n0.771699 0.315094 0.929798 O\n0.898231 0.519565 0.345360 O\n0.601629 0.319979 0.639965 O\n0.418600 0.691707 0.769398 O\n0.398370 0.680020 0.360034 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.08996173774558569,
"volume": 266.78008452740954,
"volume_molar": 6.6941134207864925,
"formula_full": "Li4 Si4 W2 O14",
"formula_reduced": "Li2Si2WO7",
"formula_anonymous": "AB2C2D7",
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},
{
"id": "jvasp-102088",
"created_at": "2022-09-04T14:36:32.492140Z",
"updated_at": "2022-09-04T14:36:32.492155Z",
"structure_string": "Rb2 Tl1 Ir1 F6\n1.0\n5.639043 -0.000000 3.255703\n1.879681 5.316541 3.255703\n-0.000000 -0.000000 6.511406\nRb Tl Ir F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ir\n0.779066 0.220934 0.220933 F\n0.220933 0.220934 0.779067 F\n0.220933 0.779066 0.779067 F\n0.220933 0.779066 0.220933 F\n0.779066 0.220934 0.779067 F\n0.779066 0.779066 0.220933 F\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.051226024271859884,
"volume": 195.21327571566636,
"volume_molar": 11.756018245804327,
"formula_full": "Rb2 Tl1 Ir1 F6",
"formula_reduced": "Rb2TlIrF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-48174",
"created_at": "2022-09-04T14:36:18.277631Z",
"updated_at": "2022-09-04T14:36:18.277655Z",
"structure_string": "Li4 Mn8 O4 F12\n1.0\n-3.052573 6.360333 4.401614\n3.052573 -6.360333 4.401614\n6.104457 -0.000352 0.000000\nLi Mn O F\n4 8 4 12\ndirect\n0.755417 0.532716 0.111345 Li\n0.032716 0.255418 0.388655 Li\n0.984599 0.744757 0.619928 Li\n0.244757 0.484599 0.880073 Li\n0.983776 0.985424 0.999187 Mn\n0.380663 0.116717 0.389189 Mn\n0.616717 0.880663 0.110811 Mn\n0.216269 0.716269 0.250000 Mn\n0.485425 0.483776 0.500814 Mn\n0.786559 0.286559 0.750001 Mn\n0.380674 0.116706 0.874771 Mn\n0.616706 0.880673 0.625230 Mn\n0.460201 0.960201 0.250000 O\n0.545047 0.045047 0.750001 O\n0.281703 0.239193 0.521249 O\n0.739193 0.781703 0.978752 O\n0.889035 0.135809 0.124154 F\n0.988971 0.488971 0.250000 F\n0.635809 0.389035 0.375846 F\n0.367056 0.615476 0.130241 F\n0.889006 0.135837 0.629051 F\n0.728285 0.741604 0.493356 F\n0.115476 0.867055 0.369759 F\n0.367076 0.615427 0.621354 F\n0.635837 0.389006 0.870950 F\n0.015983 0.515983 0.750000 F\n0.241604 0.228286 0.006644 F\n0.115428 0.867075 0.878647 F\n",
"nsites": 28,
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],
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"density": 3.6887161980568473,
"density_atomic": 0.08192212469524156,
"volume": 341.7880103105575,
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"formula_full": "Li4 Mn8 O4 F12",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 44
},
{
"id": "jvasp-99730",
"created_at": "2022-09-04T14:36:32.484226Z",
"updated_at": "2022-09-04T14:36:32.484242Z",
"structure_string": "Rb2 Li1 Tm1 Cl6\n1.0\n6.257527 0.000000 3.612785\n2.085842 5.899653 3.612785\n-0.000000 0.000000 7.225571\nRb Li Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Tm\n0.747461 0.252539 0.252540 Cl\n0.252540 0.252539 0.747461 Cl\n0.252540 0.747460 0.747461 Cl\n0.252540 0.747460 0.252540 Cl\n0.747461 0.252539 0.747461 Cl\n0.747461 0.747460 0.252541 Cl\n",
"nsites": 10,
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"elements": [
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"Li",
"Tm",
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],
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"density": 3.4831339560989822,
"density_atomic": 0.03748854858217678,
"volume": 266.74812384585914,
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"formula_full": "Rb2 Li1 Tm1 Cl6",
"formula_reduced": "Rb2LiTmCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-50711",
"created_at": "2022-09-04T14:36:13.359396Z",
"updated_at": "2022-09-04T14:36:13.359412Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n4.232058 0.000000 0.000000\n-0.000000 4.555303 0.000000\n0.000000 0.000000 15.005805\nLi Cu P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.249494 Li\n0.000000 0.750000 0.750507 Li\n0.500000 0.750000 0.250507 Li\n0.500000 0.250000 0.749494 Li\n0.000000 0.750000 0.075933 Cu\n0.000000 0.250000 0.924068 Cu\n0.500000 0.250000 0.424067 Cu\n0.500000 0.750000 0.575933 Cu\n0.500000 0.250000 0.114791 P\n0.500000 0.750000 0.885209 P\n0.000000 0.250000 0.614791 P\n0.000000 0.750000 0.385209 P\n0.268901 0.572842 0.944165 O\n0.268901 0.072842 0.055836 O\n0.231100 0.572842 0.444165 O\n0.231100 0.072842 0.555836 O\n0.304117 0.964956 0.825946 O\n0.304117 0.464957 0.174055 O\n0.695884 0.535043 0.825946 O\n0.804117 0.035043 0.674055 O\n0.768901 0.427158 0.555836 O\n0.768901 0.927157 0.444165 O\n0.731100 0.927157 0.944165 O\n0.731100 0.427158 0.055836 O\n0.195884 0.964956 0.325945 O\n0.804117 0.535043 0.325945 O\n0.695884 0.035043 0.174055 O\n0.195884 0.464957 0.674055 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.7990029438905646,
"density_atomic": 0.09678985785299077,
"volume": 289.2865081228633,
"volume_molar": 6.2218716853027365,
"formula_full": "Li4 Cu4 P4 O16",
"formula_reduced": "LiCuPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 60
},
{
"id": "jvasp-99728",
"created_at": "2022-09-04T14:36:32.428181Z",
"updated_at": "2022-09-04T14:36:32.428214Z",
"structure_string": "Rb2 Li1 Nd1 Cl6\n1.0\n6.404997 0.000000 3.697927\n2.134999 6.038689 3.697927\n0.000000 -0.000000 7.395853\nRb Li Nd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.740868 0.259133 0.259133 Cl\n0.259133 0.259133 0.740867 Cl\n0.259133 0.740867 0.740867 Cl\n0.259133 0.740867 0.259133 Cl\n0.740868 0.259133 0.740867 Cl\n0.740868 0.740867 0.259133 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.104705078678717,
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"volume": 286.0552117000039,
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"formula_full": "Rb2 Li1 Nd1 Cl6",
"formula_reduced": "Rb2LiNdCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-96953",
"created_at": "2022-09-04T14:36:32.461994Z",
"updated_at": "2022-09-04T14:36:32.462008Z",
"structure_string": "H32 C12 N8 O4\n1.0\n5.926411 0.000000 0.000000\n0.000000 7.832951 -2.520270\n0.000000 0.205656 9.052728\nH C N O\n32 12 8 4\ndirect\n0.721559 0.745372 0.939109 H\n0.472780 0.667514 0.459362 H\n0.903899 0.875239 0.862540 H\n0.838127 0.610244 0.644421 H\n0.278441 0.254628 0.060891 H\n0.756767 0.150071 0.768793 H\n0.338127 0.889757 0.855579 H\n0.527220 0.332487 0.540638 H\n0.712828 0.943405 0.231354 H\n0.161872 0.389757 0.355579 H\n0.455677 0.397545 0.882235 H\n0.287172 0.056596 0.768647 H\n0.221559 0.754629 0.560891 H\n0.459790 0.946388 0.124314 H\n0.256767 0.349930 0.731208 H\n0.778441 0.245372 0.439109 H\n0.243233 0.849929 0.231208 H\n0.027220 0.167514 0.959363 H\n0.040210 0.446388 0.624314 H\n0.955677 0.102455 0.617765 H\n-0.027220 0.832486 0.040638 H\n0.044323 0.897545 0.382235 H\n0.743233 0.650071 0.268792 H\n0.661872 0.110243 0.144421 H\n0.540210 0.053613 0.875687 H\n0.596101 0.375239 0.362540 H\n0.096101 0.124761 0.137460 H\n0.959790 0.553612 0.375686 H\n0.787172 0.443405 0.731354 H\n0.544322 0.602455 0.117765 H\n0.403899 0.624761 0.637460 H\n0.212828 0.556595 0.268646 H\n0.212157 0.579418 0.907374 C\n0.581998 0.025677 0.203879 C\n0.399150 0.720765 0.573684 C\n0.287842 0.079418 0.407374 C\n0.100850 0.220765 0.073684 C\n0.899150 0.779235 0.926316 C\n0.918002 0.525677 0.703879 C\n0.418002 0.974324 0.796122 C\n0.712157 0.920582 0.592627 C\n0.081998 0.474323 0.296122 C\n0.600850 0.279235 0.426316 C\n0.787842 0.420582 0.092626 C\n0.975241 0.371106 0.156067 N\n0.685298 0.567881 0.168881 N\n0.185298 0.932119 0.331119 N\n0.475241 0.128894 0.343933 N\n0.314701 0.432119 0.831119 N\n0.524759 0.871106 0.656067 N\n0.024759 0.628894 0.843934 N\n0.814701 0.067882 0.668882 N\n0.293974 0.671318 0.033323 O\n0.206026 0.171319 0.533323 O\n0.706026 0.328682 0.966677 O\n0.793974 0.828682 0.466677 O\n",
"nsites": 56,
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],
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"volume": 423.31099440673023,
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"formula_full": "H32 C12 N8 O4",
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},
{
"id": "jvasp-102856",
"created_at": "2022-09-04T14:36:32.374895Z",
"updated_at": "2022-09-04T14:36:32.374922Z",
"structure_string": "K2 Li1 Ti1 F6\n1.0\n4.942687 0.000000 2.853662\n1.647562 4.660010 2.853662\n-0.000000 0.000000 5.707324\nK Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ti\n0.246023 0.246023 0.753976 F\n0.246023 0.753977 0.753976 F\n0.753977 0.753977 0.246023 F\n0.246023 0.753977 0.246023 F\n0.753977 0.246023 0.753976 F\n0.753977 0.246023 0.246023 F\n",
"nsites": 10,
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"elements": [
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"Ti",
"F"
],
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"density": 3.1200015323960444,
"density_atomic": 0.07607071780983422,
"volume": 131.45662730564146,
"volume_molar": 7.916503134694324,
"formula_full": "K2 Li1 Ti1 F6",
"formula_reduced": "K2LiTiF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-106208",
"created_at": "2022-09-04T14:36:38.266080Z",
"updated_at": "2022-09-04T14:36:38.266102Z",
"structure_string": "K2 Hg1 Rh1 F6\n1.0\n5.425572 -0.000000 3.132456\n1.808524 5.115278 3.132456\n0.000000 0.000000 6.264911\nK Hg Rh F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 Rh\n0.772011 0.227989 0.227990 F\n0.227988 0.227989 0.772012 F\n0.227988 0.772012 0.772012 F\n0.227988 0.772012 0.227990 F\n0.772011 0.227989 0.772012 F\n0.772010 0.772012 0.227990 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.73394297991619,
"density_atomic": 0.0575135694329748,
"volume": 173.8720113981763,
"volume_molar": 10.47081726864142,
"formula_full": "K2 Hg1 Rh1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-99724",
"created_at": "2022-09-04T14:36:32.352939Z",
"updated_at": "2022-09-04T14:36:32.352960Z",
"structure_string": "Rb2 Li1 Bi1 F6\n1.0\n5.333279 0.000000 3.079171\n1.777759 5.028264 3.079171\n-0.000000 -0.000000 6.158340\nRb Li Bi F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.261227 0.261227 0.738773 F\n0.261227 0.738772 0.738773 F\n0.738773 0.738772 0.261227 F\n0.261227 0.738772 0.261227 F\n0.738773 0.261227 0.738773 F\n0.738773 0.261227 0.261227 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Bi-F-Li-Rb",
"density": 5.035916264830482,
"density_atomic": 0.06055136844131903,
"volume": 165.14903390979686,
"volume_molar": 9.945507285828098,
"formula_full": "Rb2 Li1 Bi1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-99309",
"created_at": "2022-09-04T14:36:32.315051Z",
"updated_at": "2022-09-04T14:36:32.315081Z",
"structure_string": "Rb2 Cu2 Pd2 Se10\n1.0\n6.178898 0.000000 -1.378894\n0.000000 7.370768 0.000000\n-0.063693 0.000000 9.031150\nRb Cu Pd Se\n2 2 2 10\ndirect\n0.254484 0.250000 0.050991 Rb\n0.745517 0.750000 0.949009 Rb\n0.114516 0.250000 0.609509 Cu\n0.885485 0.750000 0.390492 Cu\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.037837 0.750000 0.658869 Se\n0.685154 0.009952 0.282675 Se\n0.730075 0.250000 0.636410 Se\n0.269926 0.750000 0.363591 Se\n0.685154 0.490048 0.282675 Se\n0.292321 0.750000 0.102994 Se\n0.707680 0.250000 0.897007 Se\n0.962164 0.250000 0.341132 Se\n0.314847 0.990048 0.717325 Se\n0.314847 0.509952 0.717325 Se\n",
"nsites": 16,
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],
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"volume": 410.6603399993553,
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"formula_full": "Rb2 Cu2 Pd2 Se10",
"formula_reduced": "RbCuPdSe5",
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"spacegroup": 11
}
]
}