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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=158",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=156",
"results": [
{
"id": "jvasp-119368",
"created_at": "2022-09-04T14:38:31.577303Z",
"updated_at": "2022-09-04T14:38:31.577326Z",
"structure_string": "Li2 Mn4 P4 H2 O16\n1.0\n5.100326 0.051778 0.818702\n-2.535408 7.941347 0.721813\n-0.370757 -0.123159 8.571202\nLi Mn P H O\n2 4 4 2 16\ndirect\n0.632604 0.318622 0.171503 Li\n0.367396 0.681378 0.828496 Li\n0.760806 0.413099 0.780684 Mn\n0.239193 0.586901 0.219315 Mn\n0.296576 0.110585 0.609656 Mn\n0.703425 0.889416 0.390344 Mn\n0.142893 0.739801 0.562335 P\n0.857108 0.260201 0.437664 P\n0.850327 0.738806 0.061388 P\n0.149673 0.261194 0.938612 P\n0.864222 0.924284 0.864243 H\n0.135777 0.075715 0.135755 H\n0.695874 0.261776 0.604417 O\n0.338589 0.876045 0.641397 O\n0.661411 0.123955 0.358602 O\n0.244131 0.195130 0.098561 O\n0.755869 0.804870 0.901438 O\n0.304125 0.738225 0.395583 O\n0.883060 0.307227 0.979410 O\n0.891432 0.879968 0.168025 O\n0.127048 0.222731 0.453593 O\n0.872953 0.777271 0.546406 O\n0.615170 0.582277 0.131245 O\n0.384830 0.417723 0.868754 O\n0.898334 0.425320 0.330459 O\n0.108568 0.120032 0.831974 O\n0.116940 0.692773 0.020590 O\n0.101665 0.574681 0.669541 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.908757791680823,
"density_atomic": 0.07968257912433226,
"volume": 351.3942483752987,
"volume_molar": 7.557662949894465,
"formula_full": "Li2 Mn4 P4 H2 O16",
"formula_reduced": "LiMn2P2HO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 3.121965248768473,
"spacegroup": 2
},
{
"id": "jvasp-118988",
"created_at": "2022-09-04T14:38:31.735106Z",
"updated_at": "2022-09-04T14:38:31.735132Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.941592 -0.018723 0.331105\n0.671448 7.599524 1.247179\n-0.060814 0.015378 11.119804\nLi Mn O\n8 6 14\ndirect\n0.640833 0.163246 0.934312 Li\n0.860598 0.576947 0.199928 Li\n0.000001 0.000000 0.500000 Li\n0.139404 0.423053 0.800072 Li\n0.359168 0.836754 0.065688 Li\n0.429514 0.286499 0.355135 Li\n0.570487 0.713501 0.644865 Li\n0.500000 0.500000 0.000000 Li\n0.612240 0.935326 0.284048 Mn\n0.387761 0.064674 0.715952 Mn\n0.788340 0.357476 0.573933 Mn\n0.035546 0.226388 0.138124 Mn\n0.964456 0.773612 0.861876 Mn\n0.211662 0.642524 0.426068 Mn\n0.598890 0.056897 0.117857 O\n0.517930 0.627317 0.826451 O\n0.427945 0.175723 0.546413 O\n0.270580 0.747944 0.255064 O\n0.084314 0.310414 0.976292 O\n0.148732 0.539713 0.598237 O\n-0.012205 0.108506 0.312058 O\n0.729421 0.252056 0.744936 O\n0.572056 0.824277 0.453587 O\n0.482071 0.372683 0.173549 O\n0.401112 0.943103 0.882143 O\n0.851269 0.460287 0.401763 O\n0.915687 0.689586 0.023708 O\n0.012207 0.891494 0.687942 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.065225177389606,
"density_atomic": 0.11253064562768636,
"volume": 248.8211086306169,
"volume_molar": 5.351556215117235,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.709439016009852,
"spacegroup": 2
},
{
"id": "jvasp-36816",
"created_at": "2022-09-04T14:38:31.966682Z",
"updated_at": "2022-09-04T14:38:31.966708Z",
"structure_string": "Cd2 Au2 O4\n1.0\n-4.088476 -0.004487 0.019469\n-0.306794 -5.536882 0.012515\n1.684557 2.547818 5.219903\nCd Au O\n2 2 4\ndirect\n0.271162 0.269876 0.532820 Cd\n0.728837 0.730124 0.467181 Cd\n0.500001 0.000000 0.000000 Au\n-0.000000 0.500000 0.000000 Au\n0.681809 0.162198 0.809270 O\n0.318190 0.837802 0.190730 O\n0.716792 0.279858 0.358946 O\n0.283207 0.720142 0.641054 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Au",
"O"
],
"chemical_system": "Au-Cd-O",
"density": 9.571077776300315,
"density_atomic": 0.06753645869812024,
"volume": 118.4545378039294,
"volume_molar": 8.916873753950052,
"formula_full": "Cd2 Au2 O4",
"formula_reduced": "CdAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.66540358,
"spacegroup": 2
},
{
"id": "jvasp-116519",
"created_at": "2022-09-04T14:38:31.980672Z",
"updated_at": "2022-09-04T14:38:31.980708Z",
"structure_string": "Li4 Fe6 F16\n1.0\n5.222541 0.035805 0.446676\n0.070879 5.532184 1.308975\n0.003615 -0.620812 9.901336\nLi Fe F\n4 6 16\ndirect\n0.303113 0.212869 0.801077 Li\n0.803753 0.900297 0.806443 Li\n0.196246 0.099703 0.193557 Li\n0.696887 0.787132 0.198923 Li\n0.752336 0.340134 -0.000547 Fe\n0.739956 0.176901 0.485226 Fe\n0.247664 0.659866 0.000547 Fe\n0.707357 0.603115 0.511611 Fe\n0.260044 0.823100 0.514774 Fe\n0.292642 0.396886 0.488390 Fe\n0.112302 0.151899 0.385485 F\n0.873644 0.077469 0.132182 F\n0.373683 0.841397 0.131522 F\n0.588260 0.920341 0.382857 F\n0.060565 0.665157 0.385034 F\n0.601240 0.456959 0.340044 F\n0.887697 0.848101 0.614516 F\n0.126356 0.922532 0.867819 F\n0.939434 0.334843 0.614967 F\n0.411739 0.079660 0.617144 F\n0.626316 0.158604 0.868478 F\n0.400493 0.352256 0.105383 F\n0.599506 0.647744 0.894617 F\n0.092920 0.419615 0.893344 F\n0.398759 0.543041 0.659956 F\n0.907079 0.580385 0.106656 F\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.8147176239948695,
"density_atomic": 0.08957473887840064,
"volume": 290.2604051717692,
"volume_molar": 6.723034680765485,
"formula_full": "Li4 Fe6 F16",
"formula_reduced": "Li2Fe3F8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 0.8125891353846153,
"spacegroup": 2
},
{
"id": "jvasp-40731",
"created_at": "2022-09-04T14:38:31.993201Z",
"updated_at": "2022-09-04T14:38:31.993236Z",
"structure_string": "Li6 V2 B4 O12\n1.0\n5.094915 0.031469 0.019817\n0.063760 5.833488 -0.270242\n0.072381 1.672385 7.568712\nLi V B O\n6 2 4 12\ndirect\n0.169762 0.812580 0.895780 Li\n0.343790 0.988370 0.241910 Li\n0.339851 0.739677 0.589045 Li\n0.660150 0.260324 0.410956 Li\n0.656211 0.011631 0.758091 Li\n0.830238 0.187421 0.104221 Li\n0.154879 0.507420 0.248418 V\n0.845122 0.492581 0.751583 V\n0.662057 0.655917 0.076063 B\n0.841983 0.826033 0.415418 B\n0.158018 0.173968 0.584583 B\n0.337944 0.344084 0.923937 B\n0.781960 0.496130 0.208078 O\n0.105478 0.763738 0.391515 O\n0.218041 0.503871 0.791923 O\n0.199848 0.246832 0.070848 O\n0.285474 0.275480 0.428405 O\n0.287666 0.011801 0.698938 O\n0.395114 0.702864 0.095536 O\n0.604886 0.297137 0.904465 O\n0.712335 0.988200 0.301063 O\n0.714526 0.724521 0.571596 O\n0.800152 0.753169 0.929153 O\n0.894522 0.236263 0.608486 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 2.767909265140443,
"density_atomic": 0.10561928798013506,
"volume": 227.2312231882678,
"volume_molar": 5.701743379611353,
"formula_full": "Li6 V2 B4 O12",
"formula_reduced": "Li3V(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.8309866972222224,
"spacegroup": 2
},
{
"id": "jvasp-119384",
"created_at": "2022-09-04T14:38:32.049277Z",
"updated_at": "2022-09-04T14:38:32.049306Z",
"structure_string": "Rb4 Fe4 O8\n1.0\n5.287278 0.905658 -0.540706\n1.559638 9.723772 0.490939\n0.257346 0.391832 6.513911\nRb Fe O\n4 4 8\ndirect\n0.846015 0.348402 0.013506 Rb\n0.346121 0.848413 0.513538 Rb\n0.153887 0.651605 -0.013537 Rb\n0.653983 0.151579 0.486492 Rb\n0.249828 0.498845 0.502702 Fe\n0.250175 0.001155 -0.002700 Fe\n0.749980 0.998839 0.002735 Fe\n0.750019 0.501160 0.497263 Fe\n0.998181 0.486533 0.313128 O\n0.498354 -0.013502 0.813171 O\n0.508960 0.464028 0.322642 O\n0.009093 0.964055 0.822661 O\n0.490901 0.535956 0.677335 O\n-0.008950 0.035958 0.177362 O\n0.001649 0.513501 0.686828 O\n0.501817 0.013469 0.186871 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"O"
],
"chemical_system": "Fe-O-Rb",
"density": 3.5331887019663424,
"density_atomic": 0.0491077566700348,
"volume": 325.8141093169317,
"volume_molar": 12.263115174378688,
"formula_full": "Rb4 Fe4 O8",
"formula_reduced": "RbFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.439115625,
"spacegroup": 2
},
{
"id": "jvasp-17509",
"created_at": "2022-09-04T14:38:32.055552Z",
"updated_at": "2022-09-04T14:38:32.055577Z",
"structure_string": "Rh1 O2 F6\n1.0\n4.991090 0.001890 -0.028052\n-0.942333 5.007116 -0.043112\n-1.118663 -0.362798 5.033481\nRh O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Rh\n0.409620 0.546955 0.531036 O\n0.590382 0.453045 0.468964 O\n0.805332 0.670832 0.072662 F\n0.664543 0.069816 0.796387 F\n0.335459 0.930185 0.203614 F\n0.062295 0.832670 0.697491 F\n0.937706 0.167330 0.302510 F\n0.194669 0.329169 0.927339 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rh",
"O",
"F"
],
"chemical_system": "F-O-Rh",
"density": 3.291758009329369,
"density_atomic": 0.0716812599943682,
"volume": 125.55582868809931,
"volume_molar": 8.401276373313113,
"formula_full": "Rh1 O2 F6",
"formula_reduced": "Rh(OF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.7798968550000002,
"spacegroup": 2
},
{
"id": "jvasp-9494",
"created_at": "2022-09-04T14:38:32.205659Z",
"updated_at": "2022-09-04T14:38:32.205678Z",
"structure_string": "Zn2 Co2 P2 O10\n1.0\n5.256665 0.091017 -0.017231\n-0.753994 5.273889 -0.014372\n-1.882693 -2.235679 6.171270\nZn Co P O\n2 2 2 10\ndirect\n0.866789 0.719972 0.246460 Zn\n0.143401 0.271573 0.724453 Zn\n0.505081 0.995754 0.485445 Co\n0.505077 0.995749 0.985446 Co\n0.128932 0.308571 0.229068 P\n0.881216 0.682929 0.741821 P\n0.263619 0.234749 0.051494 O\n0.167686 0.117468 0.364639 O\n0.746523 0.756744 0.919392 O\n0.842469 0.874025 0.606242 O\n0.783955 0.383319 0.597436 O\n0.192288 0.695712 0.847623 O\n0.226214 0.608175 0.373457 O\n0.817867 0.295790 0.123276 O\n0.436190 0.090613 0.735740 O\n0.573957 0.900880 0.235142 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-Zn",
"density": 4.566301618007751,
"density_atomic": 0.09348881236747694,
"volume": 171.1434726233201,
"volume_molar": 6.44156301433025,
"formula_full": "Zn2 Co2 P2 O10",
"formula_reduced": "ZnCoPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2221267875,
"spacegroup": 2
},
{
"id": "jvasp-57394",
"created_at": "2022-09-04T14:38:32.366044Z",
"updated_at": "2022-09-04T14:38:32.366063Z",
"structure_string": "V2 Ni1 Te2 O10\n1.0\n4.771591 0.007914 -0.003861\n-1.841834 -6.105477 0.010770\n-2.292455 0.072918 -6.094392\nV Ni Te O\n2 1 2 10\ndirect\n0.643506 0.385003 0.371229 V\n0.356495 0.614998 0.628771 V\n0.000000 0.500000 0.000000 Ni\n0.267832 0.096203 0.780946 Te\n0.732170 0.903798 0.219053 Te\n0.038343 0.470014 0.709051 O\n0.662947 0.653418 0.867083 O\n0.294470 0.830929 0.039911 O\n0.602522 0.675535 0.427757 O\n0.725599 0.114727 0.413256 O\n0.274403 0.885274 0.586743 O\n0.397480 0.324466 0.572242 O\n0.705532 0.169072 0.960089 O\n0.337055 0.346583 0.132917 O\n0.961659 0.529987 0.290948 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"Te",
"O"
],
"chemical_system": "Ni-O-Te-V",
"density": 5.386153526079029,
"density_atomic": 0.0845028887388814,
"volume": 177.508724540185,
"volume_molar": 7.12655016872707,
"formula_full": "V2 Ni1 Te2 O10",
"formula_reduced": "V2Ni(TeO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.8406234222222224,
"spacegroup": 2
},
{
"id": "jvasp-24241",
"created_at": "2022-09-04T14:38:32.418633Z",
"updated_at": "2022-09-04T14:38:32.418650Z",
"structure_string": "K2 Li6 Pb2 O8\n1.0\n-5.945894 0.011567 -0.008287\n-0.178532 -5.976161 0.032738\n2.154909 1.967301 6.315576\nK Li Pb O\n2 6 2 8\ndirect\n0.510631 0.990885 0.250460 K\n0.489368 0.009115 0.749540 K\n0.051394 0.126934 0.906605 Li\n0.948605 0.873066 0.093395 Li\n0.681883 0.459196 0.153802 Li\n0.064498 0.165351 0.447043 Li\n0.935501 0.834649 0.552957 Li\n0.318116 0.540804 0.846199 Li\n0.241314 0.494525 0.295033 Pb\n0.758685 0.505475 0.704968 Pb\n0.359504 0.361582 0.566709 O\n0.879754 0.168000 0.633405 O\n0.120245 0.832000 0.366595 O\n0.656097 0.673791 0.973183 O\n0.343902 0.326209 0.026818 O\n0.065461 0.769228 0.835324 O\n0.934538 0.230772 0.164676 O\n0.640495 0.638418 0.433292 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Li",
"Pb",
"O"
],
"chemical_system": "K-Li-O-Pb",
"density": 4.893775042350554,
"density_atomic": 0.08010385981197415,
"volume": 224.7082730126983,
"volume_molar": 7.51791583343877,
"formula_full": "K2 Li6 Pb2 O8",
"formula_reduced": "KLi3PbO4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 1.2604636466666663,
"spacegroup": 2
},
{
"id": "jvasp-9485",
"created_at": "2022-09-04T14:38:32.517301Z",
"updated_at": "2022-09-04T14:38:32.517316Z",
"structure_string": "Ti2 Zn2 P2 O10\n1.0\n5.161547 -0.080706 -0.103230\n-0.886769 5.535033 0.022630\n-1.952249 -2.287592 6.510370\nTi Zn P O\n2 2 2 10\ndirect\n0.499530 0.000352 0.499952 Ti\n0.499532 0.000338 -0.000043 Ti\n0.218139 0.338697 0.716803 Zn\n0.780920 0.661973 0.283121 Zn\n0.820217 0.641788 0.759941 P\n0.178848 0.358911 0.239975 P\n0.574427 0.639236 0.848151 O\n0.759764 0.765456 0.588664 O\n0.424634 0.361445 0.151759 O\n0.239314 0.235259 0.411259 O\n0.170135 0.643712 0.341235 O\n0.897672 0.226237 0.067026 O\n0.828934 0.356989 0.658667 O\n0.101387 0.774457 0.932895 O\n0.621091 0.943984 0.263001 O\n0.377989 0.056697 0.736911 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"P",
"O"
],
"chemical_system": "O-P-Ti-Zn",
"density": 4.037042596739417,
"density_atomic": 0.08673173628284458,
"volume": 184.4768787727449,
"volume_molar": 6.9434108183432866,
"formula_full": "Ti2 Zn2 P2 O10",
"formula_reduced": "TiZnPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2196339666666667,
"spacegroup": 2
},
{
"id": "jvasp-25884",
"created_at": "2022-09-04T14:38:32.443931Z",
"updated_at": "2022-09-04T14:38:32.443966Z",
"structure_string": "Pr2 B4 Cl2 O8\n1.0\n-4.239129 -0.006920 0.002675\n2.024346 6.273332 -0.007224\n-0.135883 -1.121464 -8.007072\nPr B Cl O\n2 4 2 8\ndirect\n0.787324 0.029841 0.777761 Pr\n0.212675 0.970159 0.222237 Pr\n0.168262 0.650101 0.852867 B\n0.564571 0.435464 0.805006 B\n0.435427 0.564536 0.194993 B\n0.831737 0.349899 0.147131 B\n0.144095 0.795602 0.541170 Cl\n0.855904 0.204398 0.458829 Cl\n0.633889 0.766522 0.210649 O\n0.097041 0.537381 0.176319 O\n0.837303 0.152986 0.079086 O\n0.366110 0.233478 0.789350 O\n0.902958 0.462620 0.823679 O\n0.162695 0.847014 0.920913 O\n0.481310 0.626103 0.816914 O\n0.518689 0.373897 0.183085 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Pr",
"B",
"Cl",
"O"
],
"chemical_system": "B-Cl-O-Pr",
"density": 4.087572924335524,
"density_atomic": 0.07516884047746378,
"volume": 212.85415470519237,
"volume_molar": 8.01148550615928,
"formula_full": "Pr2 B4 Cl2 O8",
"formula_reduced": "PrB2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.6120166355208334,
"spacegroup": 2
}
]
}