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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=604",
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"results": [
{
"id": "jvasp-117026",
"created_at": "2022-09-04T14:38:47.785042Z",
"updated_at": "2022-09-04T14:38:47.785057Z",
"structure_string": "Dy2 Ga3 Fe14 C2\n1.0\n6.389223 0.013853 0.737914\n0.751448 6.344895 0.737914\n0.013885 0.012365 6.468169\nDy Ga Fe C\n2 3 14 2\ndirect\n0.348536 0.348535 0.336644 Dy\n0.651464 0.651463 0.663355 Dy\n0.000000 -0.000000 0.500000 Ga\n0.000000 0.500000 -0.000000 Ga\n0.500000 -0.000000 -0.000000 Ga\n0.296846 0.703153 -0.000001 Fe\n0.997752 0.283850 0.716870 Fe\n0.716149 0.002248 0.283129 Fe\n0.002249 0.716148 0.283129 Fe\n0.283852 0.997750 0.716870 Fe\n0.703154 0.296845 -0.000001 Fe\n0.846642 0.350540 0.346560 Fe\n0.347509 0.347507 0.845755 Fe\n0.153359 0.649458 0.653440 Fe\n0.649460 0.153357 0.653440 Fe\n0.652492 0.652491 0.154244 Fe\n0.908734 0.908731 0.905178 Fe\n0.091267 0.091267 0.094821 Fe\n0.350541 0.846641 0.346559 Fe\n0.500000 -0.000001 0.500000 C\n0.000001 0.499999 0.500000 C\n",
"nsites": 21,
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"elements": [
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"density": 8.492018420802815,
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"volume": 262.0291330021158,
"volume_molar": 7.5141729626643,
"formula_full": "Dy2 Ga3 Fe14 C2",
"formula_reduced": "Dy2Ga3(Fe7C)2",
"formula_anonymous": "A2B2C3D14",
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"spacegroup": 12
},
{
"id": "jvasp-112183",
"created_at": "2022-09-04T14:38:46.122268Z",
"updated_at": "2022-09-04T14:38:46.122282Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n3.988001 0.054911 0.806480\n0.787536 4.336349 0.360532\n0.232934 0.308282 13.881708\nCd H C O\n1 14 9 4\ndirect\n0.187647 0.340570 0.171143 Cd\n0.663120 0.533267 0.612429 H\n0.116769 0.027602 0.883399 H\n0.736907 0.079721 0.837001 H\n0.480561 0.028462 0.702990 H\n0.091152 0.100157 0.661032 H\n0.272584 0.613635 0.571144 H\n0.846464 0.996069 0.517909 H\n-0.003237 0.514811 0.969414 H\n0.629461 0.558758 0.920609 H\n0.340662 0.534200 0.793340 H\n0.960059 0.591395 0.747561 H\n0.892292 0.509522 0.425021 H\n0.505276 0.696712 0.385126 H\n0.436356 0.128693 0.488548 H\n0.576506 0.853609 0.034451 C\n0.794364 0.692192 0.944946 C\n0.944322 0.902140 0.859169 C\n0.136775 0.715811 0.770545 C\n0.622650 0.919233 0.502618 C\n0.464309 0.724822 0.592058 C\n0.728780 0.733356 0.411250 C\n0.799365 0.134475 0.279016 C\n0.293205 0.912646 0.681881 C\n0.441932 0.137831 0.023147 O\n0.487880 0.233231 0.303142 O\n0.948459 0.881432 0.328703 O\n0.534173 0.699924 0.119084 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density_atomic": 0.11744785326618705,
"volume": 238.4036763663958,
"volume_molar": 5.127501774214004,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.481489419642857,
"spacegroup": 1
},
{
"id": "jvasp-110707",
"created_at": "2022-09-04T14:38:39.464343Z",
"updated_at": "2022-09-04T14:38:39.464370Z",
"structure_string": "Na2 Li1 Sc1 Cl6\n1.0\n6.035238 -0.000000 3.484446\n2.011746 5.690077 3.484446\n-0.000000 -0.000000 6.968892\nNa Li Sc Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.750104 0.249897 0.249897 Cl\n0.249897 0.249897 0.750103 Cl\n0.249897 0.750104 0.750103 Cl\n0.249897 0.750104 0.249897 Cl\n0.750104 0.249897 0.750103 Cl\n0.750104 0.750104 0.249897 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Sc",
"Cl"
],
"chemical_system": "Cl-Li-Na-Sc",
"density": 2.1550954527592703,
"density_atomic": 0.04178531892259342,
"volume": 239.3185036717041,
"volume_molar": 14.41209715583579,
"formula_full": "Na2 Li1 Sc1 Cl6",
"formula_reduced": "Na2LiScCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1016177655,
"spacegroup": 225
},
{
"id": "jvasp-113192",
"created_at": "2022-09-04T14:38:46.877920Z",
"updated_at": "2022-09-04T14:38:46.877944Z",
"structure_string": "Ba4 Ce1 Mn3 O12\n1.0\n5.572066 -0.017523 8.482943\n2.523825 4.967750 8.482943\n-0.028658 -0.017523 10.149258\nBa Ce Mn O\n4 1 3 12\ndirect\n0.282652 0.282652 0.282652 Ba\n0.131081 0.131081 0.131080 Ba\n0.717348 0.717349 0.717347 Ba\n0.868920 0.868920 0.868918 Ba\n0.000000 0.000000 0.000000 Ce\n0.414049 0.414049 0.414048 Mn\n0.585952 0.585952 0.585950 Mn\n0.500000 0.500001 0.499999 Mn\n0.311238 0.776835 0.776833 O\n0.605807 0.605807 0.163399 O\n0.605807 0.163401 0.605806 O\n0.394193 0.394194 0.836599 O\n0.394194 0.836600 0.394192 O\n0.223166 0.223167 0.688762 O\n0.836600 0.394194 0.394192 O\n0.776834 0.311238 0.776833 O\n0.163401 0.605807 0.605806 O\n0.776835 0.776835 0.311236 O\n0.223167 0.688763 0.223165 O\n0.688763 0.223167 0.223165 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ce",
"Mn",
"O"
],
"chemical_system": "Ba-Ce-Mn-O",
"density": 6.137772470773518,
"density_atomic": 0.07065845321162209,
"volume": 283.0517665041434,
"volume_molar": 8.522887901273025,
"formula_full": "Ba4 Ce1 Mn3 O12",
"formula_reduced": "Ba4CeMn3O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.569905655206896,
"spacegroup": 166
},
{
"id": "jvasp-111928",
"created_at": "2022-09-04T14:38:39.466683Z",
"updated_at": "2022-09-04T14:38:39.466703Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.119867 0.052607 -0.710409\n-2.524027 4.345889 0.289626\n0.016098 -0.144703 9.676202\nLi Mn O F\n8 4 8 4\ndirect\n0.187087 0.862800 0.506230 Li\n-0.000000 0.500000 0.000000 Li\n0.064494 0.138932 0.251812 Li\n0.678077 0.875864 0.992157 Li\n0.500000 0.500000 0.500000 Li\n0.321924 0.124139 0.007843 Li\n0.935506 0.861069 0.748188 Li\n0.812914 0.137201 0.493770 Li\n0.577354 0.155712 0.750453 Mn\n0.751411 0.491519 0.249352 Mn\n0.248590 0.508482 0.750648 Mn\n0.422647 0.844290 0.249547 Mn\n0.057768 0.805436 0.148232 O\n0.289929 0.818208 0.872579 O\n0.521872 0.828556 0.635538 O\n0.254610 0.195528 0.643822 O\n0.745391 0.804473 0.356178 O\n0.478129 0.171445 0.364462 O\n0.710072 0.181794 0.127422 O\n0.942233 0.194566 0.851768 O\n0.352444 0.487617 0.118418 F\n0.124043 0.468635 0.389665 F\n0.647557 0.512385 0.881582 F\n0.875958 0.531366 0.610335 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.6744476796343113,
"density_atomic": 0.1108089602227746,
"volume": 216.58898298250858,
"volume_molar": 5.434705594107963,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.5220640873132187,
"spacegroup": 2
},
{
"id": "jvasp-110338",
"created_at": "2022-09-04T14:38:39.471991Z",
"updated_at": "2022-09-04T14:38:39.472003Z",
"structure_string": "K2 Li1 Ga1 F6\n1.0\n4.882862 0.000000 2.819121\n1.627620 4.603606 2.819121\n0.000000 0.000000 5.638243\nK Li Ga F\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ga\n0.758424 0.241575 0.241575 F\n0.241575 0.241575 0.758424 F\n0.241575 0.758426 0.758424 F\n0.241575 0.758426 0.241575 F\n0.758424 0.241575 0.758424 F\n0.758424 0.758426 0.241575 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ga",
"F"
],
"chemical_system": "F-Ga-K-Li",
"density": 3.5224464338527763,
"density_atomic": 0.07890120080136968,
"volume": 126.74078339028785,
"volume_molar": 7.632508376089835,
"formula_full": "K2 Li1 Ga1 F6",
"formula_reduced": "K2LiGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-24951",
"created_at": "2022-09-04T14:38:30.798672Z",
"updated_at": "2022-09-04T14:38:30.798687Z",
"structure_string": "Rb2 Na1 Fe1 F6\n1.0\n5.113146 -0.000000 2.952076\n1.704382 4.820720 2.952076\n0.000000 0.000000 5.904153\nRb Na Fe 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 Na\n0.000000 0.000000 0.000000 Fe\n0.226228 0.773771 0.773772 F\n0.226228 0.773771 0.226229 F\n0.773772 0.226229 0.773771 F\n0.226229 0.226229 0.773771 F\n0.773772 0.226229 0.226229 F\n0.773772 0.773771 0.226229 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Fe",
"F"
],
"chemical_system": "F-Fe-Na-Rb",
"density": 4.1505655381611755,
"density_atomic": 0.06871353566582634,
"volume": 145.53173407686182,
"volume_molar": 8.764125876577506,
"formula_full": "Rb2 Na1 Fe1 F6",
"formula_reduced": "Rb2NaFeF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-54507",
"created_at": "2022-09-04T14:38:34.577636Z",
"updated_at": "2022-09-04T14:38:34.577665Z",
"structure_string": "Rb2 Pb2 I2 O12\n1.0\n2.772394 -4.801929 -0.000000\n2.772394 4.801929 0.000000\n0.000000 -0.000000 12.262958\nRb Pb I O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.666666 0.333332 0.250000 Pb\n0.333332 0.666666 0.750000 Pb\n0.333332 0.666666 0.250000 I\n0.666666 0.333332 0.750000 I\n0.039187 0.638911 0.157968 O\n0.638910 0.599723 0.657968 O\n0.599722 0.960811 0.157968 O\n0.039187 0.400276 0.342032 O\n0.960812 0.361088 0.657968 O\n0.400276 0.361088 0.842032 O\n0.638911 0.039187 0.842032 O\n0.361088 0.400276 0.157968 O\n0.960811 0.599722 0.842032 O\n0.400276 0.039187 0.657968 O\n0.599723 0.638910 0.342032 O\n0.361088 0.960812 0.342032 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"I",
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],
"chemical_system": "I-O-Pb-Rb",
"density": 5.244084611765352,
"density_atomic": 0.05512855179947812,
"volume": 326.50957466599726,
"volume_molar": 10.923814545146476,
"formula_full": "Rb2 Pb2 I2 O12",
"formula_reduced": "RbPbIO6",
"formula_anonymous": "ABCD6",
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"spacegroup": 182
},
{
"id": "jvasp-116880",
"created_at": "2022-09-04T14:38:34.582193Z",
"updated_at": "2022-09-04T14:38:34.582222Z",
"structure_string": "Li14 Mn2 O6 F6\n1.0\n5.244136 -0.050750 1.243316\n-3.518997 5.417175 0.627611\n-0.079235 -0.053192 10.133871\nLi Mn O F\n14 2 6 6\ndirect\n0.095737 0.099271 0.222921 Li\n0.963207 0.906089 0.730096 Li\n0.882478 0.390250 0.276351 Li\n0.517172 0.008722 0.617689 Li\n0.477796 0.500564 0.891019 Li\n0.758698 0.805124 0.534134 Li\n0.727536 0.248573 0.055494 Li\n0.697109 0.115526 0.815526 Li\n0.202375 0.684252 0.957068 Li\n0.273294 0.230907 0.444695 Li\n0.542326 0.541290 0.123477 Li\n0.447720 0.945858 0.394230 Li\n0.093079 0.612315 0.749414 Li\n0.297232 0.383402 0.671478 Li\n0.102422 0.064630 0.950176 Mn\n0.985641 0.448793 0.516183 Mn\n0.934119 0.129765 0.624061 O\n0.622394 0.269312 0.465297 O\n0.061492 0.354115 0.874738 O\n0.392060 0.254303 0.042925 O\n0.255026 0.924680 0.809271 O\n0.347506 0.690918 0.559987 O\n0.726676 0.585761 0.707896 F\n0.094561 0.932960 0.380745 F\n0.245920 0.421365 0.295119 F\n0.909756 0.582569 0.121454 F\n0.608119 0.790264 0.953443 F\n0.738581 0.078438 0.215112 F\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "F-Li-Mn-O",
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"density_atomic": 0.09755374391242652,
"volume": 287.0212754226578,
"volume_molar": 6.173151863249907,
"formula_full": "Li14 Mn2 O6 F6",
"formula_reduced": "Li7Mn(OF)3",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 1.2341920420628076,
"spacegroup": 1
},
{
"id": "jvasp-113188",
"created_at": "2022-09-04T14:38:46.863983Z",
"updated_at": "2022-09-04T14:38:46.864014Z",
"structure_string": "Ba2 Cu2 Si4 O12\n1.0\n6.263687 -0.052414 -4.057232\n-1.879011 5.975437 -4.057232\n0.038801 0.052414 7.462802\nBa Cu Si O\n2 2 4 12\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500001 Ba\n0.125838 0.125838 0.000000 Cu\n0.874163 0.874163 0.000002 Cu\n0.726586 0.273415 0.000001 Si\n0.273414 0.273414 0.546830 Si\n0.273415 0.726586 0.000001 Si\n0.726586 0.726586 0.453171 Si\n0.935180 0.935180 0.615610 O\n0.319569 0.319569 0.384391 O\n0.064821 0.680431 0.000001 O\n0.766093 0.500001 0.266094 O\n0.500000 0.766093 0.266094 O\n0.680431 0.064821 0.000001 O\n0.233907 0.500000 0.733907 O\n0.064821 0.064821 0.384391 O\n0.935180 0.319570 0.000001 O\n0.500000 0.233907 0.733907 O\n0.319570 0.935180 0.000001 O\n0.680431 0.680431 0.615610 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Cu",
"Si",
"O"
],
"chemical_system": "Ba-Cu-O-Si",
"density": 4.168572570355388,
"density_atomic": 0.07110724663701509,
"volume": 281.26528512761934,
"volume_molar": 8.469095689700291,
"formula_full": "Ba2 Cu2 Si4 O12",
"formula_reduced": "BaCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.143580462,
"spacegroup": 139
},
{
"id": "jvasp-117012",
"created_at": "2022-09-04T14:38:46.042838Z",
"updated_at": "2022-09-04T14:38:46.042850Z",
"structure_string": "Na2 Cd2 Rh8 O16\n1.0\n3.087859 -0.000000 0.000000\n0.000000 9.101029 0.065857\n-0.000000 -0.013475 10.890796\nNa Cd Rh O\n2 2 8 16\ndirect\n0.250000 0.734946 0.842160 Na\n0.750000 0.265055 0.157841 Na\n0.250000 0.236507 0.660922 Cd\n0.750000 0.763494 0.339079 Cd\n0.750000 0.410426 0.901557 Rh\n0.750000 0.908213 0.601326 Rh\n0.250000 0.091788 0.398674 Rh\n0.250000 0.589575 0.098444 Rh\n0.750000 0.949297 0.115704 Rh\n0.250000 0.557336 0.617809 Rh\n0.250000 0.050703 0.884297 Rh\n0.750000 0.442665 0.382191 Rh\n0.250000 0.385501 0.024529 O\n0.250000 0.804465 0.163297 O\n0.250000 0.305652 0.336205 O\n0.750000 0.116797 0.526987 O\n0.750000 0.614499 0.975472 O\n0.250000 0.883204 0.473014 O\n0.750000 0.548484 0.214340 O\n0.250000 0.586216 0.430520 O\n0.250000 0.451517 0.785660 O\n0.250000 0.968522 0.708928 O\n0.750000 0.413785 0.569481 O\n0.750000 0.914720 0.931456 O\n0.750000 0.694348 0.663796 O\n0.250000 0.085281 0.068545 O\n0.750000 0.031478 0.291073 O\n0.750000 0.195536 0.836703 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cd-Na-O-Rh",
"density": 7.324583873322987,
"density_atomic": 0.0914842981413032,
"volume": 306.06345098425805,
"volume_molar": 6.582704226137724,
"formula_full": "Na2 Cd2 Rh8 O16",
"formula_reduced": "NaCd(RhO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.416032053571428,
"spacegroup": 11
},
{
"id": "jvasp-116899",
"created_at": "2022-09-04T14:38:46.826562Z",
"updated_at": "2022-09-04T14:38:46.826590Z",
"structure_string": "Li4 Fe2 B4 O12\n1.0\n7.688973 0.000000 0.000000\n-0.000000 4.692435 2.539107\n-0.000000 0.062991 5.788025\nLi Fe B O\n4 2 4 12\ndirect\n0.435970 0.608195 0.199274 Li\n0.935970 0.391806 0.300726 Li\n0.064030 0.608195 0.699274 Li\n0.564030 0.391806 0.800725 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.258446 0.120674 0.131590 B\n0.758445 0.879327 0.368409 B\n0.241554 0.120674 0.631590 B\n0.741554 0.879327 0.868409 B\n0.265219 0.877251 0.604705 O\n0.765219 0.122750 0.895294 O\n0.081150 0.224597 0.653920 O\n0.395053 0.273151 0.586264 O\n0.604947 0.726850 0.413735 O\n0.104947 0.273151 0.086264 O\n0.234781 0.877251 0.104705 O\n0.734781 0.122750 0.395294 O\n0.418850 0.224597 0.153920 O\n0.581150 0.775404 0.846079 O\n0.918850 0.775404 0.346079 O\n0.895053 0.726850 0.913735 O\n",
"nsites": 22,
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"elements": [
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"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 2.9970237516563216,
"density_atomic": 0.10597190424612674,
"volume": 207.60219566219692,
"volume_molar": 5.682771110740052,
"formula_full": "Li4 Fe2 B4 O12",
"formula_reduced": "Li2Fe(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.9102110606060605,
"spacegroup": 14
}
]
}