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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1059",
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"results": [
{
"id": "jvasp-40122",
"created_at": "2022-09-04T14:38:03.053040Z",
"updated_at": "2022-09-04T14:38:03.053063Z",
"structure_string": "Ba2 Na2 Sc2 Si4 O14\n1.0\n0.000000 6.864613 0.007232\n5.684181 0.000000 0.000000\n0.000000 -2.965606 -8.368844\nBa Na Sc Si O\n2 2 2 4 14\ndirect\n0.705720 0.250000 0.534713 Ba\n0.294279 0.750000 0.465287 Ba\n0.269542 0.750000 -0.000565 Na\n0.730458 0.250000 0.000565 Na\n0.698547 0.750000 0.266979 Sc\n0.301451 0.250000 0.733021 Sc\n0.643283 0.750000 0.845131 Si\n0.356716 0.250000 0.154869 Si\n0.949361 0.750000 0.681171 Si\n0.050637 0.250000 0.318829 Si\n0.916648 0.013318 0.315301 O\n0.083351 0.513317 0.684698 O\n0.264236 0.250000 0.474650 O\n0.735763 0.750000 0.525350 O\n0.365414 0.250000 0.974529 O\n0.634585 0.750000 0.025471 O\n0.108565 0.250000 0.148759 O\n0.461180 0.008175 0.250701 O\n0.461180 0.491825 0.250701 O\n0.538818 0.991824 0.749299 O\n0.916648 0.486682 0.315301 O\n0.891433 0.750000 0.851240 O\n0.538818 0.508175 0.749299 O\n0.083351 0.986682 0.684698 O\n",
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],
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"density_atomic": 0.07352312818897822,
"volume": 326.4278954278474,
"volume_molar": 8.19081139273774,
"formula_full": "Ba2 Na2 Sc2 Si4 O14",
"formula_reduced": "BaNaScSi2O7",
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"spacegroup": 11
},
{
"id": "jvasp-74755",
"created_at": "2022-09-04T14:35:53.201490Z",
"updated_at": "2022-09-04T14:35:53.201508Z",
"structure_string": "Be2 Zn1 Br1\n1.0\n-1.650822 1.650822 6.548781\n1.650822 -1.650822 6.548781\n1.650822 1.650822 -6.548781\nBe Zn Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Zn\n0.500000 0.500000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Zn",
"Br"
],
"chemical_system": "Be-Br-Zn",
"density": 3.7993883388489826,
"density_atomic": 0.05603237575539212,
"volume": 71.38729968298857,
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"formula_full": "Be2 Zn1 Br1",
"formula_reduced": "Be2ZnBr",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-52226",
"created_at": "2022-09-04T14:36:56.593056Z",
"updated_at": "2022-09-04T14:36:56.593077Z",
"structure_string": "K4 I4 O8 F8\n1.0\n5.705548 0.000000 0.000000\n0.000000 8.639188 0.000000\n0.000000 0.000000 8.369901\nK I O F\n4 4 8 8\ndirect\n0.470355 0.265023 0.191517 K\n0.470355 0.765024 0.308483 K\n0.529645 0.265023 0.691517 K\n0.529645 0.765024 0.808483 K\n0.008687 0.020794 0.014162 I\n0.991314 0.520794 0.985838 I\n0.008687 0.520794 0.485838 I\n0.991314 0.020794 0.514162 I\n-0.109142 0.214635 0.024632 O\n0.850733 0.507698 0.792153 O\n0.850733 0.007698 0.707847 O\n-0.109142 0.714636 0.475368 O\n0.109142 0.214635 0.524632 O\n0.149268 0.507698 0.292153 O\n0.149268 0.007698 0.207847 O\n0.109142 0.714636 0.975368 O\n0.676355 0.594291 0.082211 F\n0.693797 0.934159 0.093052 F\n0.693797 0.434159 0.406948 F\n0.676355 0.094291 0.417790 F\n0.323645 0.594291 0.582210 F\n0.306203 0.934159 0.593052 F\n0.306203 0.434159 0.906948 F\n0.323645 0.094291 0.917790 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"I",
"O",
"F"
],
"chemical_system": "F-I-K-O",
"density": 3.799509148129758,
"density_atomic": 0.05817288898141506,
"volume": 412.56331635287125,
"volume_molar": 10.352143181205838,
"formula_full": "K4 I4 O8 F8",
"formula_reduced": "KI(OF)2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 29
},
{
"id": "jvasp-1073",
"created_at": "2022-09-04T14:37:10.241592Z",
"updated_at": "2022-09-04T14:37:10.241609Z",
"structure_string": "Si2 Ge2\n1.0\n1.973247 -3.417763 0.000000\n1.973247 3.417763 0.000000\n0.000000 0.000000 6.527222\nSi Ge\n2 2\ndirect\n0.333334 0.666668 0.374439 Si\n0.666668 0.333334 0.874439 Si\n0.333334 0.666668 0.000560 Ge\n0.666668 0.333334 0.500560 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Ge"
],
"chemical_system": "Ge-Si",
"density": 3.7995901256374967,
"density_atomic": 0.04543371157214907,
"volume": 88.04035289188228,
"volume_molar": 13.254784941874703,
"formula_full": "Si2 Ge2",
"formula_reduced": "SiGe",
"formula_anonymous": "AB",
"energy_above_hull": 1.3315922749999995,
"spacegroup": 186
},
{
"id": "jvasp-122940",
"created_at": "2022-09-04T14:38:55.452198Z",
"updated_at": "2022-09-04T14:38:55.452216Z",
"structure_string": "Mg1 V1\n1.0\n3.203791 0.000000 -0.000000\n0.000000 3.203791 -0.000000\n0.000000 0.000000 3.203791\nMg V\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
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"elements": [
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"V"
],
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"density": 3.7996436694404925,
"density_atomic": 0.06081874644832938,
"volume": 32.88459754262064,
"volume_molar": 9.90178376188058,
"formula_full": "Mg1 V1",
"formula_reduced": "MgV",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-12523",
"created_at": "2022-09-04T14:37:05.173994Z",
"updated_at": "2022-09-04T14:37:05.174009Z",
"structure_string": "K4 Te2 Br12\n1.0\n7.338840 0.000000 0.000000\n-0.000000 7.338840 0.000000\n-0.000000 -0.000000 11.119901\nK Te Br\n4 2 12\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.697988 0.184484 0.500000 Br\n0.315516 0.802012 0.000000 Br\n0.684484 0.197988 0.000000 Br\n0.197988 0.315516 0.000000 Br\n0.500000 0.500000 0.746737 Br\n0.000000 0.000000 0.246737 Br\n0.500000 0.500000 0.253263 Br\n0.302012 0.815516 0.500000 Br\n0.815516 0.697988 0.500000 Br\n0.184484 0.302012 0.500000 Br\n0.000000 0.000000 0.753263 Br\n0.802012 0.684484 0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Te",
"Br"
],
"chemical_system": "Br-K-Te",
"density": 3.799738807325605,
"density_atomic": 0.03005500091674321,
"volume": 598.90199470839,
"volume_molar": 20.037067297659448,
"formula_full": "K4 Te2 Br12",
"formula_reduced": "K2TeBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.00103,
"spacegroup": 128
},
{
"id": "jvasp-14516",
"created_at": "2022-09-04T14:38:08.174653Z",
"updated_at": "2022-09-04T14:38:08.174681Z",
"structure_string": "Ca2 Ge2\n1.0\n4.021019 -0.000000 -0.000000\n-0.000000 4.180365 -1.760946\n0.000000 0.006596 5.858083\nCa Ge\n2 2\ndirect\n0.750000 0.363730 0.727457 Ca\n0.250000 0.636270 0.272542 Ca\n0.750000 0.077908 0.155816 Ge\n0.250000 0.922092 0.844183 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 3.7997986115902074,
"density_atomic": 0.040602072617606136,
"volume": 98.51713821785279,
"volume_molar": 14.832101840507127,
"formula_full": "Ca2 Ge2",
"formula_reduced": "CaGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-100124",
"created_at": "2022-09-04T14:36:20.877700Z",
"updated_at": "2022-09-04T14:36:20.877711Z",
"structure_string": "Rb2 Al1 In1 Br6\n1.0\n6.825459 -0.000000 3.940680\n2.275153 6.435105 3.940680\n-0.000000 0.000000 7.881361\nRb Al In Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.774149 0.225851 0.225851 Br\n0.225851 0.225851 0.774149 Br\n0.225851 0.774149 0.774149 Br\n0.225851 0.774149 0.225851 Br\n0.774149 0.225851 0.774149 Br\n0.774149 0.774149 0.225851 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"In",
"Br"
],
"chemical_system": "Al-Br-In-Rb",
"density": 3.799905654243255,
"density_atomic": 0.028887587881550502,
"volume": 346.16943584918187,
"volume_molar": 20.846810694935634,
"formula_full": "Rb2 Al1 In1 Br6",
"formula_reduced": "Rb2AlInBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112407",
"created_at": "2022-09-04T14:38:40.009549Z",
"updated_at": "2022-09-04T14:38:40.009565Z",
"structure_string": "Rb1 Cr5 S8\n1.0\n3.433670 -0.000000 -0.671529\n-0.428924 8.381000 -2.193183\n0.004231 0.014617 9.135942\nRb Cr S\n1 5 8\ndirect\n0.499984 0.500021 0.999966 Rb\n0.296177 0.664469 0.592354 Cr\n0.703815 0.335525 0.407628 Cr\n0.341390 0.026155 0.682779 Cr\n0.658617 0.973845 0.317233 Cr\n0.000003 0.000000 0.000005 Cr\n0.238026 0.156999 0.476050 S\n0.761982 0.843015 0.523964 S\n0.171145 0.488956 0.342288 S\n0.828844 0.511041 0.657688 S\n0.086477 0.828512 0.172952 S\n0.913543 0.171485 0.827086 S\n0.423820 0.849409 0.847639 S\n0.576184 0.150570 0.152367 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Cr",
"S"
],
"chemical_system": "Cr-Rb-S",
"density": 3.8000291629287855,
"density_atomic": 0.05322212934940034,
"volume": 263.0484757212695,
"volume_molar": 11.315106767835195,
"formula_full": "Rb1 Cr5 S8",
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"formula_anonymous": "AB5C8",
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"spacegroup": 12
},
{
"id": "jvasp-56286",
"created_at": "2022-09-04T14:37:50.907916Z",
"updated_at": "2022-09-04T14:37:50.907945Z",
"structure_string": "Li1 Zn1 P1\n1.0\n3.461420 -0.000000 1.998452\n1.153807 3.263458 1.998452\n-0.000000 -0.000000 3.996904\nLi Zn P\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 P\n",
"nsites": 3,
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"elements": [
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"Zn",
"P"
],
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"density": 3.8000845898158007,
"density_atomic": 0.06644544448842093,
"volume": 45.14982212998504,
"volume_molar": 9.06328613852443,
"formula_full": "Li1 Zn1 P1",
"formula_reduced": "LiZnP",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-101477",
"created_at": "2022-09-04T14:36:34.511625Z",
"updated_at": "2022-09-04T14:36:34.511658Z",
"structure_string": "Li1 Ca1 Sb1\n1.0\n4.076494 -0.000000 2.353565\n1.358831 3.843356 2.353565\n0.000000 -0.000000 4.707130\nLi Ca Sb\n1 1 1\ndirect\n0.749999 0.750001 0.750002 Li\n0.499999 0.500001 0.500001 Ca\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
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"elements": [
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"Ca",
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],
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"density": 3.800265096008632,
"density_atomic": 0.040678753887724864,
"volume": 73.74857175517546,
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"formula_full": "Li1 Ca1 Sb1",
"formula_reduced": "LiCaSb",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-2649",
"created_at": "2022-09-04T14:37:04.356600Z",
"updated_at": "2022-09-04T14:37:04.356627Z",
"structure_string": "Ba2 P6\n1.0\n4.537413 0.005236 1.554668\n1.454396 6.297278 2.799508\n0.007609 -0.008672 7.043301\nBa P\n2 6\ndirect\n0.315560 0.826592 0.826592 Ba\n0.684440 0.173409 0.173408 Ba\n0.015469 0.593273 0.593272 P\n0.984531 0.406728 0.406728 P\n0.710882 0.648780 0.181645 P\n0.289118 0.818355 0.351220 P\n0.289118 0.351221 0.818355 P\n0.710882 0.181646 0.648780 P\n",
"nsites": 8,
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],
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"density": 3.8003092666021216,
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"volume": 201.21324192256537,
"volume_molar": 15.146680820420272,
"formula_full": "Ba2 P6",
"formula_reduced": "BaP3",
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"spacegroup": 12
}
]
}