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=-id&page=531",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=529",
"results": [
{
"id": "jvasp-86533",
"created_at": "2022-09-04T14:35:44.762213Z",
"updated_at": "2022-09-04T14:35:44.762231Z",
"structure_string": "Li2 U2 As2 O12\n1.0\n5.020961 -0.003536 -0.650928\n-1.397884 5.203256 0.009957\n0.015942 0.079260 10.107872\nLi U As O\n2 2 2 12\ndirect\n0.953890 0.561654 0.226651 Li\n0.046110 0.438346 0.773349 Li\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.411773 0.015746 0.741320 As\n0.588227 0.984254 0.258680 As\n0.183179 0.824705 0.836973 O\n0.538129 0.172990 0.382014 O\n0.273879 0.858178 0.164054 O\n0.461871 0.827010 0.617986 O\n0.280425 0.256218 0.669647 O\n0.726121 0.141822 0.835946 O\n0.719575 0.743782 0.330353 O\n0.823682 0.502406 0.606781 O\n0.235916 0.310555 0.972330 O\n0.176318 0.497594 0.393219 O\n0.816821 0.175294 0.163027 O\n0.764084 0.689445 0.027670 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"U",
"As",
"O"
],
"chemical_system": "As-Li-O-U",
"density": 5.2289550170580394,
"density_atomic": 0.06814469032336726,
"volume": 264.1438373934129,
"volume_molar": 8.8372853870538,
"formula_full": "Li2 U2 As2 O12",
"formula_reduced": "LiUAsO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.82126875,
"spacegroup": 2
},
{
"id": "jvasp-86530",
"created_at": "2022-09-04T14:36:16.510567Z",
"updated_at": "2022-09-04T14:36:16.510588Z",
"structure_string": "Nb1 Fe1 F6\n1.0\n4.703647 0.077814 3.144337\n1.720540 4.378365 3.144336\n0.112180 0.077814 5.656727\nNb Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Nb\n0.000000 0.000000 0.000000 Fe\n0.373554 0.130097 0.748716 F\n0.748715 0.373553 0.130098 F\n0.130098 0.748715 0.373554 F\n0.626447 0.869902 0.251286 F\n0.251286 0.626446 0.869903 F\n0.869903 0.251284 0.626448 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"F"
],
"chemical_system": "F-Fe-Nb",
"density": 3.8442597367266673,
"density_atomic": 0.07048950210756999,
"volume": 113.49207698745919,
"volume_molar": 8.543315784540448,
"formula_full": "Nb1 Fe1 F6",
"formula_reduced": "NbFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8384608243749999,
"spacegroup": 148
},
{
"id": "jvasp-86529",
"created_at": "2022-09-04T14:36:04.582766Z",
"updated_at": "2022-09-04T14:36:04.582793Z",
"structure_string": "Bi2 P2 O8\n1.0\n4.754017 0.040678 0.000000\n-0.491812 4.729617 0.000000\n0.000000 0.000000 7.194992\nBi P O\n2 2 8\ndirect\n0.863250 0.863041 0.499997 Bi\n0.136751 0.136960 -0.000003 Bi\n0.346385 0.346080 0.500001 P\n0.653616 0.653921 0.000001 P\n0.193570 0.193142 0.331189 O\n0.684849 0.333310 -0.000003 O\n0.806431 0.806859 0.831189 O\n0.806426 0.806853 0.168816 O\n0.193575 0.193148 0.668816 O\n0.315152 0.666691 0.499997 O\n0.667113 0.315098 0.499999 O\n0.332888 0.684903 -0.000001 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"P",
"O"
],
"chemical_system": "Bi-O-P",
"density": 6.23419660047759,
"density_atomic": 0.0741101993675503,
"volume": 161.92103249494548,
"volume_molar": 8.125927080742464,
"formula_full": "Bi2 P2 O8",
"formula_reduced": "BiPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1564023000000008,
"spacegroup": 63
},
{
"id": "jvasp-86527",
"created_at": "2022-09-04T14:35:58.670737Z",
"updated_at": "2022-09-04T14:35:58.670768Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242110 0.018154 -0.832651\n-0.494071 6.775537 -2.004865\n0.006859 -0.022367 9.109070\nTi Tl P S\n2 2 2 10\ndirect\n0.502336 0.276917 0.000818 Ti\n0.497664 0.723082 0.999182 Ti\n0.725279 0.685059 0.450929 Tl\n0.274722 0.314940 0.549070 Tl\n0.277292 0.895436 0.729093 P\n0.722708 0.104564 0.270906 P\n0.155971 0.692602 0.826389 S\n0.332399 0.543734 0.132522 S\n0.397101 0.061706 0.175279 S\n0.602899 0.938293 0.824720 S\n0.159285 0.163871 0.831310 S\n0.772791 0.188061 0.501786 S\n0.667601 0.456265 0.867478 S\n0.227209 0.811938 0.498213 S\n0.840715 0.836128 0.168690 S\n0.844029 0.307397 0.173610 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Tl",
"P",
"S"
],
"chemical_system": "P-S-Ti-Tl",
"density": 3.825270008468006,
"density_atomic": 0.041549071194223984,
"volume": 385.0868272170731,
"volume_molar": 14.494044239518832,
"formula_full": "Ti2 Tl2 P2 S10",
"formula_reduced": "TiTlPS5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.178690804166667,
"spacegroup": 2
},
{
"id": "jvasp-86524",
"created_at": "2022-09-04T14:35:47.495848Z",
"updated_at": "2022-09-04T14:35:47.495873Z",
"structure_string": "Sc2 Re4 O12\n1.0\n4.852404 0.000000 0.000000\n0.000000 5.621490 -0.754726\n0.000000 -0.024297 7.561083\nSc Re O\n2 4 12\ndirect\n0.500000 -0.000000 0.500000 Sc\n0.000000 0.500000 0.499999 Sc\n0.008832 0.870631 0.848991 Re\n0.991167 0.129368 0.151008 Re\n0.491168 0.370631 0.848991 Re\n0.508832 0.629368 0.151008 Re\n0.821956 0.824367 0.616782 O\n0.732560 0.657169 0.930330 O\n0.716686 0.922869 0.248424 O\n0.321956 0.675632 0.383217 O\n0.216686 0.577130 0.751575 O\n0.783313 0.422869 0.248424 O\n0.178043 0.175632 0.383217 O\n0.232560 0.842831 0.069669 O\n0.767439 0.157169 0.930330 O\n0.678043 0.324367 0.616782 O\n0.283313 0.077130 0.751575 O\n0.267439 0.342831 0.069669 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sc",
"Re",
"O"
],
"chemical_system": "O-Re-Sc",
"density": 8.26992299629384,
"density_atomic": 0.08731070833827498,
"volume": 206.16027910644289,
"volume_molar": 6.897367888332701,
"formula_full": "Sc2 Re4 O12",
"formula_reduced": "Sc(ReO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.817061361111112,
"spacegroup": 14
},
{
"id": "jvasp-86522",
"created_at": "2022-09-04T14:35:41.932216Z",
"updated_at": "2022-09-04T14:35:41.932245Z",
"structure_string": "Ba1 B2 F8\n1.0\n4.453919 -0.001195 -1.643304\n-0.691604 4.636749 -1.878605\n0.022777 0.003805 6.791533\nBa B F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285841 0.347379 0.694731 B\n0.714160 0.652619 0.305268 B\n0.464768 0.614749 0.769360 F\n0.857106 0.771532 0.543095 F\n0.464807 0.154639 0.769322 F\n0.062952 0.399237 0.798453 F\n0.535195 0.845359 0.230677 F\n0.535234 0.385249 0.230639 F\n0.142896 0.228466 0.456904 F\n0.937050 0.600761 0.201546 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"B",
"F"
],
"chemical_system": "B-Ba-F",
"density": 3.6759113097205587,
"density_atomic": 0.0783136182433595,
"volume": 140.46088339090028,
"volume_molar": 7.689774645944978,
"formula_full": "Ba1 B2 F8",
"formula_reduced": "BaB2F8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.5225357633333334,
"spacegroup": 12
},
{
"id": "jvasp-86521",
"created_at": "2022-09-04T14:36:16.324129Z",
"updated_at": "2022-09-04T14:36:16.324150Z",
"structure_string": "Eu4 I4 O2\n1.0\n5.376028 -0.000000 -2.320453\n-1.450521 6.440485 -3.360569\n0.164325 -0.169802 7.768528\nEu I O\n4 4 2\ndirect\n0.898647 0.568343 0.797291 Eu\n0.601355 0.771052 0.202710 Eu\n0.398646 0.228948 0.797291 Eu\n0.101355 0.431656 0.202710 Eu\n0.140275 0.002183 0.280549 I\n0.640275 0.278366 0.280549 I\n0.359726 0.721634 0.719451 I\n0.859727 0.997817 0.719452 I\n0.750000 0.500000 0.000000 O\n0.250000 0.500000 -0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"I",
"O"
],
"chemical_system": "Eu-I-O",
"density": 7.115208601375171,
"density_atomic": 0.03734188054834703,
"volume": 267.79583280635444,
"volume_molar": 16.12704200101292,
"formula_full": "Eu4 I4 O2",
"formula_reduced": "Eu2I2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6461952099999998,
"spacegroup": 72
},
{
"id": "jvasp-86520",
"created_at": "2022-09-04T14:36:09.294159Z",
"updated_at": "2022-09-04T14:36:09.294180Z",
"structure_string": "Li3 Ti4 O8\n1.0\n4.924406 0.005312 0.000000\n-0.055409 4.958581 0.000000\n0.000000 0.000000 5.699779\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.500000 0.016473 Li\n0.500000 -0.000000 0.769339 Li\n0.500000 -0.000000 0.262315 Li\n0.500000 0.500000 0.755475 Ti\n0.000000 0.000000 0.515901 Ti\n0.500000 0.500000 0.276411 Ti\n0.000000 0.000000 0.015832 Ti\n0.185227 0.230126 0.772722 O\n0.185179 0.230169 0.259056 O\n0.682465 0.264472 0.015942 O\n0.814774 0.769873 0.772722 O\n0.814822 0.769830 0.259056 O\n0.671050 0.250668 0.515909 O\n0.328951 0.749331 0.515909 O\n0.317535 0.735527 0.015942 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 4.059933489229401,
"density_atomic": 0.1077746803580043,
"volume": 139.17925759717613,
"volume_molar": 5.587713867483294,
"formula_full": "Li3 Ti4 O8",
"formula_reduced": "Li3Ti4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.847980088888889,
"spacegroup": 10
},
{
"id": "jvasp-8652",
"created_at": "2022-09-04T14:37:04.347034Z",
"updated_at": "2022-09-04T14:37:04.347059Z",
"structure_string": "Rb2 Mn1 Br4\n1.0\n5.073835 -0.000000 -1.502561\n-0.444967 5.054286 -1.502561\n-0.019194 -0.020958 9.253112\nRb Mn Br\n2 1 4\ndirect\n0.359180 0.359179 0.718359 Rb\n0.640821 0.640821 0.281641 Rb\n0.000000 0.000000 0.000000 Mn\n0.159151 0.159150 0.318300 Br\n-0.000000 0.500000 0.000000 Br\n0.840850 0.840850 0.681701 Br\n0.500000 0.000000 0.000000 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 3.8224066365071634,
"density_atomic": 0.029539240053716203,
"volume": 236.97292101187148,
"volume_molar": 20.38691838059788,
"formula_full": "Rb2 Mn1 Br4",
"formula_reduced": "Rb2MnBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.1644516881609197,
"spacegroup": 139
},
{
"id": "jvasp-86519",
"created_at": "2022-09-04T14:36:06.397511Z",
"updated_at": "2022-09-04T14:36:06.397535Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769467 -0.000000 0.000000\n0.000000 5.769467 0.000000\n0.000000 0.000000 8.303880\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757861 Na\n0.750000 0.750000 0.242139 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255829 Nb\n0.750000 0.750000 0.744171 Nb\n0.981988 0.518013 0.671540 O\n0.518013 0.981988 0.671540 O\n0.250000 0.250000 0.030520 O\n0.481988 0.481988 0.328460 O\n0.981988 0.981988 0.671540 O\n0.750000 0.750000 0.969480 O\n0.518013 0.518013 0.671540 O\n0.018012 0.018012 0.328460 O\n0.481988 0.018012 0.328460 O\n0.018012 0.481988 0.328460 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"Na",
"Nd",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-Nd-O",
"density": 4.556519964496791,
"density_atomic": 0.06512084890501171,
"volume": 276.4091731398593,
"volume_molar": 9.247638600019133,
"formula_full": "K2 Na2 Nd2 Nb2 O10",
"formula_reduced": "KNaNdNbO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.9927872666666668,
"spacegroup": 129
},
{
"id": "jvasp-86518",
"created_at": "2022-09-04T14:36:00.005456Z",
"updated_at": "2022-09-04T14:36:00.005493Z",
"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.995790 0.083509 -1.465510\n-1.492728 6.129076 -3.152932\n0.007715 0.003278 7.374639\nK C Br N O\n2 2 2 4 8\ndirect\n0.328022 0.278892 0.127350 K\n0.671977 0.721109 0.872650 K\n0.952559 0.243085 0.537849 C\n0.047441 0.756917 0.462152 C\n0.796815 0.203473 0.711292 Br\n0.203184 0.796528 0.288709 Br\n0.822474 0.638335 0.369422 N\n0.177525 0.361666 0.630578 N\n0.834137 0.158926 0.323753 N\n0.165862 0.841075 0.676248 N\n0.272900 0.421441 0.825464 O\n0.714947 0.587805 0.473432 O\n0.727099 0.578560 0.174537 O\n0.371862 0.945516 0.741801 O\n0.628137 0.054485 0.258199 O\n0.285052 0.412196 0.526569 O\n0.924616 0.179103 0.194245 O\n0.075383 0.820898 0.805756 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"K",
"C",
"Br",
"N",
"O"
],
"chemical_system": "Br-C-K-N-O",
"density": 2.7224506667368464,
"density_atomic": 0.06616096482719261,
"volume": 272.06374706013776,
"volume_molar": 9.102256558273254,
"formula_full": "K2 C2 Br2 N4 O8",
"formula_reduced": "KCBr(NO2)2",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 3.234801400555555,
"spacegroup": 2
},
{
"id": "jvasp-86517",
"created_at": "2022-09-04T14:35:52.996262Z",
"updated_at": "2022-09-04T14:35:52.996279Z",
"structure_string": "Ca2 Pt4 O8\n1.0\n5.726191 0.000000 0.000000\n0.000000 5.725668 -0.000000\n0.000000 -0.000000 5.725668\nCa Pt O\n2 4 8\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.757102 0.000000 Pt\n0.000000 0.242899 0.000000 Pt\n0.500000 0.000000 0.242899 Pt\n0.500000 0.000000 0.757102 Pt\n0.250000 0.244231 0.244231 O\n0.750000 0.244231 0.244231 O\n0.250000 0.755770 0.244231 O\n0.750000 0.755770 0.244231 O\n0.250000 0.755770 0.755770 O\n0.750000 0.244231 0.755770 O\n0.750000 0.755770 0.755770 O\n0.250000 0.244231 0.755770 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"O"
],
"chemical_system": "Ca-O-Pt",
"density": 8.743835796714013,
"density_atomic": 0.07457785387172414,
"volume": 187.72328879402144,
"volume_molar": 8.074971921769484,
"formula_full": "Ca2 Pt4 O8",
"formula_reduced": "Ca(PtO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.161566745714285,
"spacegroup": 131
}
]
}