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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1025",
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"results": [
{
"id": "jvasp-113073",
"created_at": "2022-09-04T14:38:46.303649Z",
"updated_at": "2022-09-04T14:38:46.303680Z",
"structure_string": "Na3 Pr3 F12\n1.0\n5.546409 -0.001541 2.613346\n1.842028 6.113416 3.261579\n-0.002577 -0.022819 7.180259\nNa Pr F\n3 3 12\ndirect\n0.667540 0.475081 0.173899 Na\n0.662485 0.997809 0.688640 Na\n0.330248 0.424342 0.912125 Na\n0.003161 0.993682 0.002904 Pr\n0.997238 0.493343 0.510035 Pr\n0.335757 0.916517 0.413382 Pr\n0.593554 0.164715 0.202884 F\n0.588986 0.704543 0.668053 F\n0.369677 0.535022 0.505574 F\n0.372315 0.001612 0.034418 F\n0.750973 0.237958 0.751089 F\n0.982670 0.376963 0.889908 F\n0.971746 0.882959 0.390478 F\n0.043427 0.812493 0.775296 F\n0.279055 0.124569 0.629907 F\n0.261186 0.618425 0.133899 F\n0.755670 0.727737 0.236232 F\n0.034306 0.274235 0.319280 F\n",
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"elements": [
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"density": 4.9011576732114595,
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"volume": 243.82918713660843,
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{
"id": "jvasp-10579",
"created_at": "2022-09-04T14:37:05.464373Z",
"updated_at": "2022-09-04T14:37:05.464389Z",
"structure_string": "Ho2 P10\n1.0\n0.000000 4.938732 0.014417\n9.435948 0.000000 0.000000\n0.000000 -1.148867 -5.235332\nHo P\n2 10\ndirect\n0.993798 0.250000 0.651322 Ho\n0.006201 0.750000 0.348677 Ho\n0.726424 0.250000 0.106047 P\n0.273575 0.750000 0.893952 P\n0.381690 0.407396 0.041847 P\n0.618308 0.907396 0.958152 P\n0.618308 0.592604 0.958152 P\n0.381690 0.092604 0.041847 P\n0.283308 0.470471 0.404047 P\n0.716691 0.970472 0.595952 P\n0.716691 0.529529 0.595952 P\n0.283308 0.029529 0.404047 P\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ho-P",
"density": 4.35601575112413,
"density_atomic": 0.0492169069036155,
"volume": 243.81865409584432,
"volume_molar": 12.23591879065771,
"formula_full": "Ho2 P10",
"formula_reduced": "HoP5",
"formula_anonymous": "AB5",
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"spacegroup": 11
},
{
"id": "jvasp-44774",
"created_at": "2022-09-04T14:38:06.842125Z",
"updated_at": "2022-09-04T14:38:06.842143Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n5.220835 0.008556 -0.018347\n0.146769 6.056933 -0.054982\n0.241890 1.589573 7.695335\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.572414 0.875924 0.806791 Li\n0.927088 0.623284 0.692297 Li\n0.070914 0.375192 0.306703 Li\n0.428008 0.125824 0.195370 Li\n0.425903 0.411404 0.825072 Mn\n0.072074 0.086725 0.673481 Mn\n0.575657 0.590996 0.177352 Mn\n0.928842 0.911255 0.323346 Fe\n0.077484 0.740683 0.000806 B\n0.575099 0.240497 0.499806 B\n0.425345 0.761908 0.498278 B\n0.922043 0.256719 0.000704 B\n0.071902 0.155642 0.137645 O\n0.339836 0.714020 0.976428 O\n0.925563 0.836424 0.864002 O\n0.035964 0.341136 0.838632 O\n0.160586 0.787099 0.517767 O\n0.572028 0.662043 0.636091 O\n0.544284 0.847906 0.338249 O\n0.463087 0.156435 0.662751 O\n0.422830 0.340302 0.364459 O\n0.837511 0.215616 0.474885 O\n0.965457 0.658903 0.164174 O\n0.660073 0.284056 0.024901 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2940677332386215,
"density_atomic": 0.09843613564258104,
"volume": 243.81290309021634,
"volume_molar": 6.117815089639675,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.406012064894636,
"spacegroup": 1
},
{
"id": "jvasp-97318",
"created_at": "2022-09-04T14:35:52.195220Z",
"updated_at": "2022-09-04T14:35:52.195233Z",
"structure_string": "La4 Mg2 Cu4\n1.0\n3.898962 0.000000 -0.000000\n-0.000000 7.907694 -0.000000\n0.000000 -0.000000 7.907694\nLa Mg Cu\n4 2 4\ndirect\n0.500000 0.826386 0.326387 La\n0.500000 0.673613 0.826386 La\n0.500000 0.326387 0.173613 La\n0.500000 0.173613 0.673613 La\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.620472 0.120472 Cu\n0.000000 0.879528 0.620472 Cu\n0.000000 0.379528 0.879528 Cu\n0.000000 0.120472 0.379528 Cu\n",
"nsites": 10,
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"elements": [
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"Mg",
"Cu"
],
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"density": 5.846529259760609,
"density_atomic": 0.041015809460449804,
"volume": 243.80842732465567,
"volume_molar": 14.682486678233067,
"formula_full": "La4 Mg2 Cu4",
"formula_reduced": "La2MgCu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5006679074999999,
"spacegroup": 127
},
{
"id": "jvasp-63972",
"created_at": "2022-09-04T14:35:59.271563Z",
"updated_at": "2022-09-04T14:35:59.271586Z",
"structure_string": "Ba4 Bi1 Sb1\n1.0\n-0.000000 4.958370 4.958370\n4.958370 0.000000 4.958370\n4.958370 4.958370 -0.000000\nBa Bi Sb\n4 1 1\ndirect\n0.124539 0.625154 0.625154 Ba\n0.625154 0.625154 0.625154 Ba\n0.625154 0.124539 0.625154 Ba\n0.625154 0.625154 0.124539 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Bi",
"Sb"
],
"chemical_system": "Ba-Bi-Sb",
"density": 5.993891341696314,
"density_atomic": 0.024609594680688802,
"volume": 243.80734741268256,
"volume_molar": 24.47070274068994,
"formula_full": "Ba4 Bi1 Sb1",
"formula_reduced": "Ba4BiSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2597457133333333,
"spacegroup": 216
},
{
"id": "jvasp-42975",
"created_at": "2022-09-04T14:37:27.058164Z",
"updated_at": "2022-09-04T14:37:27.058179Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n-5.162115 -0.027115 0.016678\n2.396326 5.417612 0.025328\n-0.072436 -2.289794 -8.751923\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.259302 0.683536 0.188772 Li\n0.756615 0.681008 0.689730 Li\n0.243654 0.321835 0.312097 Li\n0.739445 0.314946 0.809333 Li\n0.790114 0.769377 0.376740 Mn\n0.285997 0.758793 0.872494 Mn\n0.713376 0.237468 0.125078 Mn\n0.212277 0.233234 0.626195 Fe\n0.720833 0.261068 0.463550 B\n0.222226 0.256674 0.959647 B\n0.777771 0.739998 0.038251 B\n0.279212 0.741847 0.538371 B\n0.947906 0.188234 0.443321 O\n0.557776 0.820822 0.062943 O\n0.058237 0.821768 0.565002 O\n0.368827 0.705550 0.394076 O\n0.894844 0.690636 0.158022 O\n0.397657 0.690278 0.656174 O\n0.132426 0.297894 0.103525 O\n0.867470 0.699542 0.894333 O\n0.606165 0.309469 0.342964 O\n0.104538 0.305095 0.838912 O\n0.620563 0.293558 0.605294 O\n0.442760 0.177358 0.935166 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.294157597240715,
"density_atomic": 0.0984388210351764,
"volume": 243.8062519198983,
"volume_molar": 6.117648196790199,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.4060037315613023,
"spacegroup": 1
},
{
"id": "jvasp-108606",
"created_at": "2022-09-04T14:38:20.213074Z",
"updated_at": "2022-09-04T14:38:20.213095Z",
"structure_string": "In4 Sb1 Te3\n1.0\n6.993723 -0.018531 3.113244\n-4.177744 5.608829 3.113244\n-0.000151 -0.000300 6.226712\nIn Sb Te\n4 1 3\ndirect\n0.001457 0.001457 0.000771 In\n0.501317 0.501317 0.000766 In\n0.247537 0.756210 0.499839 In\n0.756210 0.247536 0.499840 In\n0.001440 0.001440 0.500709 Sb\n0.751812 0.251844 0.999924 Te\n0.251845 0.751812 0.999923 Te\n0.501536 0.501536 0.500530 Te\n",
"nsites": 8,
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"elements": [
"In",
"Sb",
"Te"
],
"chemical_system": "In-Sb-Te",
"density": 6.565165884272775,
"density_atomic": 0.03281597048573066,
"volume": 243.78373948985094,
"volume_molar": 18.351249927588164,
"formula_full": "In4 Sb1 Te3",
"formula_reduced": "In4SbTe3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.3144849100000001,
"spacegroup": 139
},
{
"id": "jvasp-70396",
"created_at": "2022-09-04T14:35:56.571262Z",
"updated_at": "2022-09-04T14:35:56.571287Z",
"structure_string": "K2 Ca2 Be1\n1.0\n-2.376390 2.376390 10.792089\n2.376390 -2.376390 10.792089\n2.376390 2.376390 -10.792089\nK Ca Be\n2 2 1\ndirect\n0.584700 0.584700 0.000000 K\n0.415300 0.415300 0.000000 K\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.000000 0.000000 0.000000 Be\n",
"nsites": 5,
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"elements": [
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"Be"
],
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"density": 1.1400193733645927,
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"volume": 243.78161053857062,
"volume_molar": 29.361743467255437,
"formula_full": "K2 Ca2 Be1",
"formula_reduced": "K2Ca2Be",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-85884",
"created_at": "2022-09-04T14:36:19.254227Z",
"updated_at": "2022-09-04T14:36:19.254243Z",
"structure_string": "Ti9 Ni9\n1.0\n7.271455 -0.000001 0.000000\n-3.635727 6.297266 -0.000000\n0.000000 -0.000000 5.323757\nTi Ni\n9 9\ndirect\n0.000000 0.000000 0.000000 Ti\n0.986406 0.655666 0.653301 Ti\n0.669260 0.013595 0.653301 Ti\n0.655666 0.669260 0.346699 Ti\n0.344335 0.330740 0.653301 Ti\n0.330740 0.986406 0.346699 Ti\n0.666667 0.333333 0.953732 Ti\n0.333333 0.666667 0.046269 Ti\n0.013595 0.344335 0.346699 Ti\n0.973059 0.659946 0.140574 Ni\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666667 0.587990 Ni\n0.666667 0.333333 0.412011 Ni\n0.313113 0.973059 0.859426 Ni\n0.026942 0.340055 0.859426 Ni\n0.659946 0.686888 0.859426 Ni\n0.686888 0.026942 0.140574 Ni\n0.340055 0.313113 0.140574 Ni\n",
"nsites": 18,
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"elements": [
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"volume": 243.7763380896595,
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"formula_full": "Ti9 Ni9",
"formula_reduced": "TiNi",
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{
"id": "jvasp-86383",
"created_at": "2022-09-04T14:36:20.824968Z",
"updated_at": "2022-09-04T14:36:20.824989Z",
"structure_string": "Ti9 Ni9\n1.0\n7.271455 -0.000001 0.000000\n-3.635727 6.297265 -0.000000\n0.000000 -0.000000 5.323737\nTi Ni\n9 9\ndirect\n0.000000 0.000000 0.000000 Ti\n0.986405 0.655666 0.653302 Ti\n0.669260 0.013595 0.653302 Ti\n0.655665 0.669261 0.346698 Ti\n0.344334 0.330740 0.653302 Ti\n0.330739 0.986406 0.346698 Ti\n0.666667 0.333333 0.953732 Ti\n0.333333 0.666668 0.046268 Ti\n0.013595 0.344335 0.346698 Ti\n0.973057 0.659945 0.140574 Ni\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666668 0.587992 Ni\n0.666667 0.333333 0.412009 Ni\n0.313113 0.973059 0.859427 Ni\n0.026942 0.340055 0.859427 Ni\n0.659944 0.686888 0.859427 Ni\n0.686887 0.026942 0.140574 Ni\n0.340055 0.313113 0.140574 Ni\n",
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},
{
"id": "jvasp-86693",
"created_at": "2022-09-04T14:36:07.582389Z",
"updated_at": "2022-09-04T14:36:07.582402Z",
"structure_string": "Rb1 La1 Si1 C4 N8\n1.0\n5.935581 -0.000164 3.361161\n2.967387 5.978206 1.681003\n0.022136 0.000483 6.882291\nRb La Si C N\n1 1 1 4 8\ndirect\n-0.000037 -0.000000 0.000002 Rb\n0.750004 0.500000 0.500000 La\n0.250000 0.499997 0.499994 Si\n0.558524 0.082547 0.543923 C\n0.897544 0.543969 0.917443 C\n0.358948 0.456035 0.082553 C\n0.184995 0.917453 0.456076 C\n0.516968 0.389986 0.898177 N\n0.994589 0.469720 0.722473 N\n0.282965 0.722447 0.530255 N\n0.535662 0.277559 0.469745 N\n0.092988 0.101872 0.390102 N\n0.584958 0.898126 0.609899 N\n0.186775 0.530280 0.277521 N\n0.805121 0.610016 0.101826 N\n",
"nsites": 15,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-La-N-Rb-Si",
"density": 2.810281057426221,
"density_atomic": 0.06153325423905445,
"volume": 243.77062753296855,
"volume_molar": 9.786806881047122,
"formula_full": "Rb1 La1 Si1 C4 N8",
"formula_reduced": "RbLaSi(CN2)4",
"formula_anonymous": "ABCD4E8",
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"spacegroup": 82
},
{
"id": "jvasp-64413",
"created_at": "2022-09-04T14:36:15.842034Z",
"updated_at": "2022-09-04T14:36:15.842068Z",
"structure_string": "Ba4 Ca1 Tc1\n1.0\n0.000000 4.958046 4.958046\n4.958046 0.000000 4.958046\n4.958046 4.958046 -0.000000\nBa Ca Tc\n4 1 1\ndirect\n0.119364 0.626879 0.626879 Ba\n0.626879 0.626879 0.626879 Ba\n0.626879 0.119364 0.626879 Ba\n0.626879 0.626879 0.119364 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.682611518659341,
"density_atomic": 0.024614419583327864,
"volume": 243.75955645381103,
"volume_molar": 24.465906009333608,
"formula_full": "Ba4 Ca1 Tc1",
"formula_reduced": "Ba4CaTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9226426333333332,
"spacegroup": 216
}
]
}