HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=596",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=594",
"results": [
{
"id": "jvasp-113193",
"created_at": "2022-09-04T14:38:46.232572Z",
"updated_at": "2022-09-04T14:38:46.232588Z",
"structure_string": "Co6 P4 O16\n1.0\n4.736850 0.000082 0.000072\n-0.000117 5.896110 -0.109269\n-0.000131 -0.057617 10.227228\nCo P O\n6 4 16\ndirect\n0.499999 0.500001 0.500002 Co\n0.015404 0.761285 0.722889 Co\n0.484593 0.761284 0.222888 Co\n0.000000 0.499998 -0.000003 Co\n0.515405 0.238715 0.777111 Co\n0.984594 0.238717 0.277111 Co\n0.927535 0.746629 0.403010 P\n0.572464 0.746630 0.903010 P\n0.072464 0.253369 0.596990 P\n0.427537 0.253371 0.096989 P\n0.251487 0.733236 0.399148 O\n0.807127 0.944864 0.322805 O\n0.692877 0.944866 0.822808 O\n0.751489 0.266763 0.100852 O\n0.248513 0.733240 0.899148 O\n0.748513 0.266758 0.600852 O\n0.809182 0.745883 0.544580 O\n0.276848 0.467388 0.164918 O\n0.690816 0.745877 0.044580 O\n0.190815 0.254122 0.455420 O\n0.776847 0.532611 0.335082 O\n0.307128 0.055135 0.177195 O\n0.223147 0.467385 0.664921 O\n0.723147 0.532614 0.835079 O\n0.309184 0.254116 0.955420 O\n0.192878 0.055133 0.677192 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 4.264541111184195,
"density_atomic": 0.09103440234489821,
"volume": 285.6063128914154,
"volume_molar": 6.615236223756562,
"formula_full": "Co6 P4 O16",
"formula_reduced": "Co3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.1926585923076924,
"spacegroup": 14
},
{
"id": "jvasp-111717",
"created_at": "2022-09-04T14:38:41.765708Z",
"updated_at": "2022-09-04T14:38:41.765735Z",
"structure_string": "Mg2 Al4 P4 O20\n1.0\n7.431637 0.000000 0.000000\n0.000000 6.212560 3.404976\n0.000000 0.013617 7.145584\nMg Al P O\n2 4 4 20\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.232826 0.226308 0.266485 Al\n0.732826 0.273692 0.733514 Al\n0.767175 0.773692 0.733514 Al\n0.267175 0.726308 0.266486 Al\n0.616568 0.991270 0.250267 P\n0.116568 0.508731 0.749733 P\n0.383432 0.008731 0.749732 P\n0.883433 0.491270 0.250267 P\n0.753863 0.583428 0.052301 O\n0.828013 0.008190 0.770036 O\n0.328012 0.491811 0.229964 O\n0.261965 0.081854 0.555216 O\n0.761965 0.418147 0.444783 O\n0.738036 0.918147 0.444783 O\n0.238036 0.581854 0.555217 O\n0.253863 0.916573 0.947699 O\n0.746138 0.083428 0.052301 O\n0.494772 0.194638 0.738222 O\n0.005228 0.694638 0.738222 O\n0.505229 0.805362 0.261778 O\n0.994772 0.305362 0.261778 O\n0.671988 0.508190 0.770036 O\n0.992341 0.319253 0.781260 O\n0.492341 0.180748 0.218739 O\n0.007660 0.680748 0.218739 O\n0.507660 0.819253 0.781261 O\n0.246138 0.416573 0.947699 O\n0.171988 0.991811 0.229964 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"Al",
"P",
"O"
],
"chemical_system": "Al-Mg-O-P",
"density": 3.0252738454849397,
"density_atomic": 0.09102952504781235,
"volume": 329.5634024701634,
"volume_molar": 6.6155906633995185,
"formula_full": "Mg2 Al4 P4 O20",
"formula_reduced": "MgAl2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 2.530342043333334,
"spacegroup": 14
},
{
"id": "jvasp-58581",
"created_at": "2022-09-04T14:38:00.990873Z",
"updated_at": "2022-09-04T14:38:00.990897Z",
"structure_string": "Mg2 Ti4 O8\n1.0\n6.034183 -0.025948 -0.089856\n2.994620 5.238729 -0.089856\n2.936233 1.695236 4.794849\nMg Ti O\n2 4 8\ndirect\n0.124999 0.625001 0.625000 Mg\n0.624999 0.125000 0.625000 Mg\n0.997085 0.997085 0.002914 Ti\n0.252915 0.252915 0.247085 Ti\n0.625000 0.625000 0.124999 Ti\n0.624999 0.625001 0.624999 Ti\n0.385682 0.385683 0.373068 O\n0.373350 0.867070 0.379790 O\n0.385681 0.385683 0.855568 O\n0.867069 0.373351 0.379790 O\n0.382930 0.876650 0.870209 O\n0.876649 0.382932 0.870209 O\n0.864317 0.864318 0.394431 O\n0.864317 0.864319 0.876930 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.974076008958477,
"density_atomic": 0.09102923868192664,
"volume": 153.796738308651,
"volume_molar": 6.615611475168433,
"formula_full": "Mg2 Ti4 O8",
"formula_reduced": "MgTi2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.2524885309523803,
"spacegroup": 74
},
{
"id": "jvasp-70430",
"created_at": "2022-09-04T14:36:09.133122Z",
"updated_at": "2022-09-04T14:36:09.133141Z",
"structure_string": "Li1 Be2 Ga1\n1.0\n-1.980845 1.980845 2.799824\n1.980845 -1.980845 2.799824\n1.980845 1.980845 -2.799824\nLi Be Ga\n1 2 1\ndirect\n0.749998 0.250000 0.499999 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.749998 0.499999 Be\n0.499999 0.499999 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ga"
],
"chemical_system": "Be-Ga-Li",
"density": 3.5781125728987493,
"density_atomic": 0.09102659151051981,
"volume": 43.94320311925253,
"volume_molar": 6.615803865735246,
"formula_full": "Li1 Be2 Ga1",
"formula_reduced": "LiBe2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.00609613125,
"spacegroup": 216
},
{
"id": "jvasp-22411",
"created_at": "2022-09-04T14:38:30.537449Z",
"updated_at": "2022-09-04T14:38:30.537474Z",
"structure_string": "Ho2 Cu4 O8\n1.0\n5.063689 0.105223 -2.510216\n-1.362948 4.859609 -2.545226\n-0.052979 -0.025373 6.256472\nHo Cu O\n2 4 8\ndirect\n0.874998 0.124998 0.749994 Ho\n0.125002 0.875003 0.250004 Ho\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 -0.000001 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.499999 Cu\n0.721586 0.529961 0.855203 O\n0.133616 0.825244 0.855203 O\n0.278413 0.470039 0.144795 O\n0.866383 0.174756 0.144795 O\n0.529991 0.133625 0.355198 O\n0.825208 0.721574 0.355197 O\n0.174792 0.278426 0.644801 O\n0.470008 0.866375 0.644800 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"O"
],
"chemical_system": "Cu-Ho-O",
"density": 7.687321501654416,
"density_atomic": 0.09102269478751361,
"volume": 153.80779521724844,
"volume_molar": 6.616087091310892,
"formula_full": "Ho2 Cu4 O8",
"formula_reduced": "Ho(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.391801495238095,
"spacegroup": 88
},
{
"id": "jvasp-119494",
"created_at": "2022-09-04T14:38:51.524012Z",
"updated_at": "2022-09-04T14:38:51.524034Z",
"structure_string": "Li1 Cu1 Ru2 Rh2 O8\n1.0\n5.329562 0.010721 -2.959745\n-1.498484 4.753161 -3.510902\n-0.032176 -0.010721 6.096169\nLi Cu Ru Rh O\n1 1 2 2 8\ndirect\n0.379459 0.379458 0.000000 Li\n0.132460 0.632460 0.500000 Cu\n0.749838 0.026299 0.276461 Ru\n0.749838 0.473377 0.723540 Ru\n0.752175 0.999191 0.752985 Rh\n0.246207 0.999191 0.247016 Rh\n0.988218 0.767327 0.220891 O\n0.546437 0.767328 0.779111 O\n0.977764 0.735785 0.758023 O\n0.977764 0.219742 0.241979 O\n0.476760 0.230258 0.246502 O\n0.983757 0.230258 0.753499 O\n0.519660 0.253983 0.734323 O\n0.519661 0.785337 0.265678 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Li",
"Cu",
"Ru",
"Rh",
"O"
],
"chemical_system": "Cu-Li-O-Rh-Ru",
"density": 6.546306854538033,
"density_atomic": 0.09101067337627025,
"volume": 153.82811137018027,
"volume_molar": 6.616960996544158,
"formula_full": "Li1 Cu1 Ru2 Rh2 O8",
"formula_reduced": "LiCuRu2(RhO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.952075389285714,
"spacegroup": 44
},
{
"id": "jvasp-43374",
"created_at": "2022-09-04T14:37:35.361625Z",
"updated_at": "2022-09-04T14:37:35.361652Z",
"structure_string": "Li2 Fe2 F8\n1.0\n3.340966 3.213679 -0.000000\n-3.340966 3.213679 -0.000000\n0.000000 0.000000 6.140265\nLi Fe F\n2 2 8\ndirect\n0.500070 0.500070 0.250000 Li\n0.499931 0.499931 0.750001 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.194038 0.805930 0.250000 F\n0.194071 0.805962 0.750001 F\n0.293918 0.293918 0.000015 F\n0.293918 0.293918 0.499985 F\n0.706082 0.706082 0.500016 F\n0.706082 0.706082 0.999986 F\n0.805930 0.194038 0.250000 F\n0.805962 0.194071 0.750001 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.4955305602040787,
"density_atomic": 0.09101009858865342,
"volume": 131.8534996235691,
"volume_molar": 6.6170027869311685,
"formula_full": "Li2 Fe2 F8",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2300511049999999,
"spacegroup": 65
},
{
"id": "jvasp-117040",
"created_at": "2022-09-04T14:38:46.130000Z",
"updated_at": "2022-09-04T14:38:46.130014Z",
"structure_string": "Al1 Cr3 O8\n1.0\n4.960255 0.018841 2.839167\n1.655090 4.676020 2.839167\n0.026549 0.018841 5.715269\nAl Cr O\n1 3 8\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Cr\n0.500001 0.500000 0.000000 Cr\n0.500001 -0.000000 0.500000 Cr\n0.263227 0.263226 0.263227 O\n0.703638 0.264345 0.264346 O\n0.264346 0.264345 0.703637 O\n0.264346 0.703637 0.264346 O\n0.736775 0.736773 0.736774 O\n0.296364 0.735654 0.735655 O\n0.735655 0.735654 0.296363 O\n0.735655 0.296363 0.735655 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 3.9161833060671025,
"density_atomic": 0.09100884353594976,
"volume": 131.85531794236934,
"volume_molar": 6.617094038362514,
"formula_full": "Al1 Cr3 O8",
"formula_reduced": "AlCr3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.42286525,
"spacegroup": 166
},
{
"id": "jvasp-59285",
"created_at": "2022-09-04T14:38:02.279648Z",
"updated_at": "2022-09-04T14:38:02.279669Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.362356 -0.000000 0.000000\n-0.000000 8.773154 0.000000\n0.000000 0.000000 9.342601\nMg Si O\n8 8 24\ndirect\n0.250000 0.904301 0.000000 Mg\n0.750001 0.595699 0.500000 Mg\n0.750001 0.095699 0.000000 Mg\n0.250000 0.404301 0.500000 Mg\n0.750001 0.736915 0.000000 Mg\n0.250000 0.763084 0.500000 Mg\n0.250000 0.263085 0.000000 Mg\n0.750001 0.236915 0.500000 Mg\n0.933683 0.408399 0.207776 Si\n0.433682 0.091601 0.292224 Si\n0.066318 0.091601 0.707776 Si\n0.566318 0.408399 0.792224 Si\n0.566318 0.908398 0.707776 Si\n0.433682 0.591601 0.207776 Si\n0.933683 0.908398 0.292224 Si\n0.066318 0.591601 0.792224 Si\n0.069851 0.750730 0.877399 O\n0.578605 0.406002 0.617804 O\n0.078604 0.093998 0.882196 O\n0.078604 0.593998 0.617804 O\n0.578605 0.906001 0.882196 O\n0.421396 0.593998 0.382196 O\n0.921397 0.906001 0.117804 O\n0.930149 0.749269 0.377399 O\n0.430149 0.750730 0.122601 O\n0.569852 0.749269 0.622601 O\n0.069851 0.250730 0.622601 O\n0.288411 0.973779 0.650088 O\n0.430149 0.250730 0.377399 O\n0.930149 0.249270 0.122601 O\n0.711589 0.026220 0.349911 O\n0.211589 0.473779 0.150088 O\n0.788412 0.026220 0.650088 O\n0.288411 0.473779 0.849911 O\n0.421396 0.093998 0.117804 O\n0.788412 0.526220 0.849911 O\n0.211589 0.973779 0.349911 O\n0.711589 0.526220 0.150088 O\n0.569852 0.249270 0.877399 O\n0.921397 0.406002 0.382196 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.03420358737088,
"density_atomic": 0.09100825642706276,
"volume": 439.5205618740473,
"volume_molar": 6.617136726299505,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.42321363,
"spacegroup": 60
},
{
"id": "jvasp-117440",
"created_at": "2022-09-04T14:38:27.505962Z",
"updated_at": "2022-09-04T14:38:27.505987Z",
"structure_string": "V8 O8 F8\n1.0\n7.691798 0.030182 0.020392\n-2.071423 7.407690 0.020392\n-0.004800 -0.006352 4.623363\nV O F\n8 8 8\ndirect\n0.615280 0.615279 0.566976 V\n0.361219 0.862713 0.476032 V\n0.142326 0.142326 0.446249 V\n0.862713 0.361218 0.476032 V\n0.514877 0.246356 0.011087 V\n0.766622 0.994038 0.012295 V\n0.246356 0.514877 0.011087 V\n0.994038 0.766621 0.012295 V\n0.772947 0.772946 0.805867 O\n0.395686 0.650620 0.700212 O\n0.650620 0.395685 0.700212 O\n0.098985 0.353439 0.295778 O\n0.353439 0.098985 0.295778 O\n0.209839 0.725498 0.193385 O\n0.725498 0.209838 0.193385 O\n0.981448 0.981447 0.208426 O\n0.475963 0.475963 0.207662 F\n0.596122 0.836725 0.297774 F\n0.836725 0.596121 0.297774 F\n0.913605 0.153326 0.703911 F\n0.153326 0.913605 0.703911 F\n0.018791 0.534272 0.791950 F\n0.534271 0.018790 0.791950 F\n0.279312 0.279312 0.799957 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.328951386701667,
"density_atomic": 0.09100453563925467,
"volume": 263.7231191985516,
"volume_molar": 6.617407272833068,
"formula_full": "V8 O8 F8",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0557226608333332,
"spacegroup": 8
},
{
"id": "jvasp-47526",
"created_at": "2022-09-04T14:37:03.721229Z",
"updated_at": "2022-09-04T14:37:03.721248Z",
"structure_string": "Li2 Mn2 P2 O8\n1.0\n4.938260 -0.007685 0.001638\n-2.462153 4.899450 -0.024315\n-0.004103 -1.684531 6.371581\nLi Mn P O\n2 2 2 8\ndirect\n0.062594 0.001213 0.498648 Li\n0.031627 0.001347 -0.001438 Li\n0.355588 0.710903 0.273477 Mn\n0.646082 0.291888 0.723436 Mn\n0.316984 0.650596 0.769878 P\n0.667697 0.352154 0.227031 P\n0.748688 0.668983 0.327089 O\n0.305344 0.835275 0.623329 O\n0.211494 0.732745 0.983474 O\n0.647053 0.690539 0.792443 O\n0.957834 0.312253 0.204434 O\n0.480061 0.270024 0.013444 O\n0.471361 0.167471 0.373593 O\n0.081104 0.333769 0.669817 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.386003526491867,
"density_atomic": 0.09100195003131852,
"volume": 153.84285716055393,
"volume_molar": 6.617595291010212,
"formula_full": "Li2 Mn2 P2 O8",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5517166773399014,
"spacegroup": 5
},
{
"id": "jvasp-21571",
"created_at": "2022-09-04T14:37:39.962226Z",
"updated_at": "2022-09-04T14:37:39.962253Z",
"structure_string": "Sc2 B8 Ir6\n1.0\n3.825092 -6.625254 0.000000\n3.825092 6.625254 -0.000000\n0.000000 -0.000000 3.469003\nSc B Ir\n2 8 6\ndirect\n0.333333 0.666667 0.749999 Sc\n0.666667 0.333333 0.250000 Sc\n0.599907 0.548542 0.749999 B\n0.051365 0.599907 0.250000 B\n0.548542 0.948634 0.250000 B\n0.451457 0.051365 0.749999 B\n0.000000 0.000000 0.000000 B\n0.400092 0.451457 0.250000 B\n0.000000 0.000000 0.500000 B\n0.948634 0.400092 0.749999 B\n0.744867 0.076563 0.749999 Ir\n0.331695 0.255133 0.749999 Ir\n0.668304 0.744867 0.250000 Ir\n0.076563 0.331695 0.250000 Ir\n0.255133 0.923437 0.250000 Ir\n0.923437 0.668304 0.749999 Ir\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sc",
"B",
"Ir"
],
"chemical_system": "B-Ir-Sc",
"density": 12.55810970828613,
"density_atomic": 0.09099989547004676,
"volume": 175.8243777902636,
"volume_molar": 6.617744700577408,
"formula_full": "Sc2 B8 Ir6",
"formula_reduced": "ScB4Ir3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.9365423604166665,
"spacegroup": 176
}
]
}