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=-nsites&page=949",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=947",
"results": [
{
"id": "jvasp-44082",
"created_at": "2022-09-04T14:35:58.247872Z",
"updated_at": "2022-09-04T14:35:58.247897Z",
"structure_string": "Li2 Fe4 F10\n1.0\n5.177548 0.177586 -0.708624\n-2.195696 4.814461 2.318238\n-1.213453 -0.378395 7.405074\nLi Fe F\n2 4 10\ndirect\n0.387677 0.575563 0.948213 Li\n0.515811 0.074253 0.362132 Li\n0.845746 -0.005351 0.104592 Fe\n0.797298 0.510140 0.632340 Fe\n0.189762 0.469128 0.391829 Fe\n0.159990 -0.007657 0.914515 Fe\n0.124642 0.733620 0.768632 F\n0.516378 0.722777 0.526605 F\n-0.031309 0.717484 0.359180 F\n0.280763 0.217273 0.103154 F\n0.612397 0.217532 0.877111 F\n0.376446 0.740680 0.138028 F\n0.759615 0.744659 0.952588 F\n0.048793 0.277610 0.668703 F\n0.484109 0.279211 0.479698 F\n0.872815 0.213740 0.274665 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.798201382371827,
"density_atomic": 0.08565857292221452,
"volume": 186.78807566090788,
"volume_molar": 7.030400524496983,
"formula_full": "Li2 Fe4 F10",
"formula_reduced": "LiFe2F5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.7094903015625,
"spacegroup": 1
},
{
"id": "jvasp-86144",
"created_at": "2022-09-04T14:35:56.136551Z",
"updated_at": "2022-09-04T14:35:56.136585Z",
"structure_string": "Er10 Bi2 Au4\n1.0\n6.546295 -0.000000 -3.362001\n-1.726632 6.314484 -3.362001\n0.948358 1.242492 9.900873\nEr Bi Au\n10 2 4\ndirect\n0.503198 0.326421 0.329619 Er\n0.326422 0.826421 0.329619 Er\n0.673579 0.173578 0.670381 Er\n0.496803 0.673578 0.670381 Er\n0.000000 0.000000 0.000000 Er\n0.996804 0.496802 0.670381 Er\n0.003198 0.503197 0.329619 Er\n0.826422 0.003197 0.329619 Er\n0.173579 0.996802 0.670381 Er\n0.500000 0.500000 0.000000 Er\n0.250000 0.250000 0.500000 Bi\n0.750001 0.749999 0.500000 Bi\n0.129173 0.629172 0.000000 Au\n0.870828 0.370827 0.000000 Au\n0.370828 0.129173 0.000000 Au\n0.629173 0.870827 0.000000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Er",
"density": 10.302054525412405,
"density_atomic": 0.03448585572005179,
"volume": 463.95832917368506,
"volume_molar": 17.462639781614662,
"formula_full": "Er10 Bi2 Au4",
"formula_reduced": "Er5BiAu2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.20871243,
"spacegroup": 140
},
{
"id": "jvasp-5524",
"created_at": "2022-09-04T14:35:48.625397Z",
"updated_at": "2022-09-04T14:35:48.625429Z",
"structure_string": "S4 Cl8 O4\n1.0\n0.000000 7.457349 0.067364\n5.765047 0.000000 0.000000\n0.000000 -1.425550 -8.614460\nS Cl O\n4 8 4\ndirect\n0.238126 0.059673 0.838139 S\n0.261874 0.559673 0.161861 S\n0.761874 0.940328 0.161862 S\n0.738126 0.440328 0.838139 S\n0.262955 0.214201 0.623281 Cl\n0.237045 0.714201 0.376719 Cl\n0.737045 0.785799 0.376720 Cl\n0.762955 0.285799 0.623281 Cl\n0.083979 0.766052 0.744776 Cl\n0.416021 0.266052 0.255224 Cl\n0.916022 0.233949 0.255225 Cl\n0.583979 0.733949 0.744776 Cl\n0.118727 0.204879 0.911507 O\n0.381274 0.704880 0.088493 O\n0.881274 0.795121 0.088493 O\n0.618727 0.295121 0.911507 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"S",
"Cl",
"O"
],
"chemical_system": "Cl-O-S",
"density": 2.1368907656278493,
"density_atomic": 0.04326675201160024,
"volume": 369.7989623928841,
"volume_molar": 13.918633777699343,
"formula_full": "S4 Cl8 O4",
"formula_reduced": "SCl2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.97958040875,
"spacegroup": 14
},
{
"id": "jvasp-85902",
"created_at": "2022-09-04T14:36:02.383087Z",
"updated_at": "2022-09-04T14:36:02.383118Z",
"structure_string": "Cu2 Se4 O10\n1.0\n5.044460 0.000000 0.000000\n-2.522230 5.691921 -2.270197\n0.000000 0.001156 7.820023\nCu Se O\n2 4 10\ndirect\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.207081 0.286844 0.331117 Se\n0.920237 0.713156 0.168882 Se\n0.792919 0.713157 0.668882 Se\n0.079763 0.286844 0.831117 Se\n0.399366 0.255341 0.493703 O\n0.144025 0.744659 0.006297 O\n0.600634 0.744660 0.506297 O\n0.855975 0.255341 0.993702 O\n0.397458 0.256004 0.151974 O\n0.141454 0.743996 0.348025 O\n0.115022 0.000001 0.750000 O\n0.884979 0.000000 0.250000 O\n0.858546 0.256004 0.651974 O\n0.602542 0.743996 0.848025 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se",
"density": 4.458676138492203,
"density_atomic": 0.0712545826679423,
"volume": 224.5469610644209,
"volume_molar": 8.451583792251139,
"formula_full": "Cu2 Se4 O10",
"formula_reduced": "CuSe2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.0035793354166667,
"spacegroup": 15
},
{
"id": "jvasp-86861",
"created_at": "2022-09-04T14:35:51.160344Z",
"updated_at": "2022-09-04T14:35:51.160379Z",
"structure_string": "Ta4 Ni12\n1.0\n4.461309 0.000000 -0.849603\n0.000000 5.125369 0.000000\n0.003372 0.000000 8.661739\nTa Ni\n4 12\ndirect\n0.386739 0.750000 0.622115 Ta\n0.613261 0.250000 0.377886 Ta\n0.209640 0.750000 0.127247 Ta\n0.790360 0.250000 0.872754 Ta\n0.294913 0.998659 0.876829 Ni\n0.885168 0.998273 0.626607 Ni\n0.798499 0.750000 0.873370 Ni\n0.114831 0.498273 0.373394 Ni\n0.630813 0.750000 0.375641 Ni\n0.294913 0.501342 0.876829 Ni\n0.369187 0.250000 0.624359 Ni\n0.705087 0.001341 0.123171 Ni\n0.705087 0.498659 0.123171 Ni\n0.114831 0.001727 0.373394 Ni\n0.201500 0.250000 0.126630 Ni\n0.885168 0.501727 0.626607 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Ni"
],
"chemical_system": "Ni-Ta",
"density": 11.97255198777097,
"density_atomic": 0.08077840079322718,
"volume": 198.07275017682093,
"volume_molar": 7.455137389282066,
"formula_full": "Ta4 Ni12",
"formula_reduced": "TaNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3585241,
"spacegroup": 11
},
{
"id": "jvasp-52893",
"created_at": "2022-09-04T14:35:46.505262Z",
"updated_at": "2022-09-04T14:35:46.505291Z",
"structure_string": "Li6 H8 Rh2\n1.0\n1.872544 4.448900 -0.000000\n-1.872544 4.448900 -0.000000\n0.000000 -0.000000 8.800119\nLi H Rh\n6 8 2\ndirect\n0.838355 0.838355 0.430354 Li\n0.161645 0.161645 0.569646 Li\n0.838355 0.838355 0.069646 Li\n0.161645 0.161645 0.930354 Li\n0.510196 0.510196 0.250000 Li\n0.489804 0.489804 0.750000 Li\n0.062697 0.062697 0.121984 H\n0.937303 0.937303 0.878016 H\n0.062697 0.062697 0.378016 H\n0.937303 0.937303 0.621984 H\n0.333212 0.333212 0.388222 H\n0.666788 0.666788 0.611778 H\n0.333212 0.333212 0.111778 H\n0.666788 0.666788 0.888222 H\n0.202154 0.202154 0.250000 Rh\n0.797846 0.797846 0.750000 Rh\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"H",
"Rh"
],
"chemical_system": "H-Li-Rh",
"density": 2.8938210014152,
"density_atomic": 0.10912311800736092,
"volume": 146.6233763492784,
"volume_molar": 5.5186663192613095,
"formula_full": "Li6 H8 Rh2",
"formula_reduced": "Li3H4Rh",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.165450375,
"spacegroup": 63
},
{
"id": "jvasp-42826",
"created_at": "2022-09-04T14:35:59.753563Z",
"updated_at": "2022-09-04T14:35:59.753592Z",
"structure_string": "Li2 V2 Ge2 O10\n1.0\n0.000000 4.670502 0.099612\n6.365198 0.000000 0.000000\n0.000000 -0.442916 -6.596529\nLi V Ge O\n2 2 2 10\ndirect\n-0.000000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.382651 0.750000 0.248139 V\n0.617347 0.250000 0.751861 V\n0.475136 0.250000 0.252201 Ge\n0.524863 0.750000 0.747799 Ge\n0.648158 0.250000 0.023842 O\n0.729067 0.750000 0.310893 O\n0.249021 0.474772 0.264029 O\n0.249021 0.025228 0.264029 O\n0.742968 0.250000 0.456787 O\n0.257031 0.750000 0.543214 O\n0.750977 0.974773 0.735972 O\n0.750977 0.525228 0.735972 O\n0.270931 0.250000 0.689108 O\n0.351841 0.750000 0.976158 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-V",
"density": 3.570284611650082,
"density_atomic": 0.08170551988599226,
"volume": 195.82520278098212,
"volume_molar": 7.3705433468913615,
"formula_full": "Li2 V2 Ge2 O10",
"formula_reduced": "LiVGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.33626595625,
"spacegroup": 11
},
{
"id": "jvasp-48434",
"created_at": "2022-09-04T14:36:01.610427Z",
"updated_at": "2022-09-04T14:36:01.610448Z",
"structure_string": "V4 O4 F8\n1.0\n0.000000 5.189698 0.050483\n4.895377 0.000000 0.000000\n0.000000 -0.420633 -7.390078\nV O F\n4 4 8\ndirect\n0.500001 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.294281 0.204717 0.543856 O\n0.705720 0.204717 0.956145 O\n0.294281 0.795283 0.043856 O\n0.705720 0.795283 0.456145 O\n0.000000 0.128042 0.250000 F\n0.191767 0.307335 0.925279 F\n0.808234 0.307335 0.574722 F\n0.500000 0.375481 0.250000 F\n0.500001 0.624520 0.750000 F\n0.191767 0.692666 0.425279 F\n0.808234 0.692666 0.074722 F\n0.000000 0.871958 0.750000 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.7145305204626546,
"density_atomic": 0.08526744647535983,
"volume": 187.64488279385264,
"volume_molar": 7.062649356739267,
"formula_full": "V4 O4 F8",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.92988706625,
"spacegroup": 13
},
{
"id": "jvasp-86222",
"created_at": "2022-09-04T14:36:02.102396Z",
"updated_at": "2022-09-04T14:36:02.102413Z",
"structure_string": "Sb4 I12\n1.0\n7.342832 0.093759 0.000000\n-2.963133 8.099893 0.000000\n0.000000 0.000000 10.981405\nSb I\n4 12\ndirect\n0.040535 0.667055 0.673854 Sb\n0.040535 0.167055 0.826145 Sb\n0.959465 0.832945 0.173854 Sb\n0.959465 0.332945 0.326145 Sb\n0.225966 0.699260 0.442152 I\n0.340141 0.458592 0.742050 I\n0.340141 0.958591 0.757949 I\n0.777779 0.325291 0.907094 I\n0.222221 0.674709 0.092905 I\n0.777779 0.825291 0.592905 I\n0.774034 0.300740 0.557847 I\n0.225966 0.199260 0.057848 I\n0.774034 0.800740 0.942152 I\n0.222221 0.174709 0.407094 I\n0.659859 0.041408 0.242051 I\n0.659859 0.541408 0.257949 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"I"
],
"chemical_system": "I-Sb",
"density": 5.086247289993947,
"density_atomic": 0.024383457131470655,
"volume": 656.1825877984096,
"volume_molar": 24.69764942489426,
"formula_full": "Sb4 I12",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.08480623125,
"spacegroup": 14
},
{
"id": "jvasp-86306",
"created_at": "2022-09-04T14:35:49.211021Z",
"updated_at": "2022-09-04T14:35:49.211057Z",
"structure_string": "Sr10 In6\n1.0\n7.870072 0.000000 -3.697592\n-1.737238 7.675939 -3.697592\n0.004624 0.005787 10.234093\nSr In\n10 6\ndirect\n0.028005 0.528006 0.707618 Sr\n0.320388 0.820388 0.292382 Sr\n0.971994 0.471995 0.292382 Sr\n0.500000 0.500000 0.000000 Sr\n0.820387 0.971995 0.292382 Sr\n0.528005 0.679612 0.707618 Sr\n0.679612 0.179612 0.707618 Sr\n0.179612 0.028005 0.707618 Sr\n0.471995 0.320388 0.292382 Sr\n0.000000 0.000000 0.000000 Sr\n0.118071 0.381929 0.000000 In\n0.618071 0.118071 0.000000 In\n0.881929 0.618071 0.000000 In\n0.749999 0.750000 0.500000 In\n0.381929 0.881929 0.000000 In\n0.250000 0.250000 0.500000 In\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sr",
"In"
],
"chemical_system": "In-Sr",
"density": 4.201431537984937,
"density_atomic": 0.025865677894680514,
"volume": 618.5803467107479,
"volume_molar": 23.28236199538579,
"formula_full": "Sr10 In6",
"formula_reduced": "Sr5In3",
"formula_anonymous": "A3B5",
"energy_above_hull": null,
"spacegroup": 140
},
{
"id": "jvasp-85928",
"created_at": "2022-09-04T14:35:53.099056Z",
"updated_at": "2022-09-04T14:35:53.099080Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242720 0.018070 -0.833090\n-0.494086 6.775387 -2.005032\n0.006167 -0.022650 9.108973\nTi Tl P S\n2 2 2 10\ndirect\n0.502310 0.276925 0.000829 Ti\n0.497690 0.723076 0.999171 Ti\n0.725353 0.685098 0.451008 Tl\n0.274647 0.314902 0.548991 Tl\n0.277306 0.895413 0.729065 P\n0.722694 0.104588 0.270935 P\n0.156007 0.692555 0.826336 S\n0.332387 0.543750 0.132492 S\n0.397107 0.061700 0.175258 S\n0.602893 0.938300 0.824742 S\n0.159307 0.163865 0.831268 S\n0.772803 0.188102 0.501826 S\n0.667613 0.456250 0.867508 S\n0.227197 0.811899 0.498173 S\n0.840692 0.836136 0.168732 S\n0.843993 0.307446 0.173664 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Tl",
"P",
"S"
],
"chemical_system": "P-S-Ti-Tl",
"density": 3.825100503905308,
"density_atomic": 0.04154723008049144,
"volume": 385.10389185999725,
"volume_molar": 14.49468652502951,
"formula_full": "Ti2 Tl2 P2 S10",
"formula_reduced": "TiTlPS5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.1786995541666667,
"spacegroup": 2
},
{
"id": "jvasp-85330",
"created_at": "2022-09-04T14:36:02.109313Z",
"updated_at": "2022-09-04T14:36:02.109344Z",
"structure_string": "Rb2 C4 I6 N4\n1.0\n4.335466 -0.000000 0.000000\n0.000000 6.700739 0.000000\n0.000000 0.000000 16.116922\nRb C I N\n2 4 6 4\ndirect\n0.144678 0.250000 0.750000 Rb\n0.855323 0.750000 0.250000 Rb\n0.290500 0.750000 0.048110 C\n0.290500 0.750000 0.451890 C\n0.709501 0.250000 0.951890 C\n0.709501 0.250000 0.548110 C\n0.890427 0.250000 0.429457 I\n0.229408 0.250000 0.250000 I\n0.109574 0.750000 0.570543 I\n0.109574 0.750000 0.929457 I\n0.890427 0.250000 0.070543 I\n0.770593 0.750000 0.750000 I\n0.383294 0.750000 0.116244 N\n0.616706 0.250000 0.883756 N\n0.383294 0.750000 0.383756 N\n0.616706 0.250000 0.616244 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"C",
"I",
"N"
],
"chemical_system": "C-I-N-Rb",
"density": 3.6757784592297207,
"density_atomic": 0.034172707696478996,
"volume": 468.2098984403442,
"volume_molar": 17.62266196020661,
"formula_full": "Rb2 C4 I6 N4",
"formula_reduced": "RbC2I3N2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 2.980018165625,
"spacegroup": 59
}
]
}