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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=322",
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"results": [
{
"id": "jvasp-47654",
"created_at": "2022-09-04T14:36:59.613091Z",
"updated_at": "2022-09-04T14:36:59.613116Z",
"structure_string": "Li8 Fe2 Si4 O14\n1.0\n0.000000 5.403579 0.000000\n-6.641914 2.701790 0.063587\n-0.581060 0.000000 7.989488\nLi Fe Si O\n8 2 4 14\ndirect\n0.737189 0.847558 0.876214 Li\n0.415253 0.847558 0.376214 Li\n0.881736 0.585394 0.592850 Li\n0.532871 0.585394 0.092850 Li\n0.126305 0.445188 0.945810 Li\n0.428507 0.445188 0.445810 Li\n0.186858 0.994315 0.023287 Li\n0.818827 0.994315 0.523287 Li\n0.688317 0.299933 0.797369 Fe\n0.011751 0.299933 0.297369 Fe\n0.258155 0.148576 0.669961 Si\n0.593270 0.148576 0.169961 Si\n0.306765 0.726626 0.738622 Si\n0.966610 0.726626 0.238622 Si\n0.578965 0.088738 0.707528 O\n0.214034 0.943384 0.602301 O\n0.842583 0.943384 0.102301 O\n0.427129 0.781420 0.905535 O\n0.791453 0.781420 0.405535 O\n0.045557 0.670887 0.772129 O\n0.283556 0.670887 0.272129 O\n0.539651 0.550033 0.640628 O\n0.910318 0.550033 0.140628 O\n0.148263 0.330690 0.519455 O\n0.521049 0.330690 0.019455 O\n0.080482 0.218234 0.837997 O\n0.701284 0.218234 0.337997 O\n0.332298 0.088738 0.207528 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.9181113973689947,
"density_atomic": 0.09771625641600606,
"volume": 286.5439285843697,
"volume_molar": 6.162885256637364,
"formula_full": "Li8 Fe2 Si4 O14",
"formula_reduced": "Li4FeSi2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.415701942857143,
"spacegroup": 9
},
{
"id": "jvasp-22578",
"created_at": "2022-09-04T14:37:00.346799Z",
"updated_at": "2022-09-04T14:37:00.346826Z",
"structure_string": "Si4 O8\n1.0\n4.977943 0.047834 -0.091091\n-2.417447 4.351799 -0.091091\n-0.042404 -0.072861 8.240652\nSi O\n4 8\ndirect\n0.204762 0.647392 0.288410 Si\n0.537204 0.307653 0.162144 Si\n0.647392 0.204761 0.788409 Si\n0.307653 0.537204 0.662143 Si\n0.558263 0.214890 0.975259 O\n0.431570 0.288042 0.670197 O\n0.583793 0.861942 0.734692 O\n0.214890 0.558263 0.475259 O\n0.861941 0.583793 0.234692 O\n0.440988 0.009102 0.271601 O\n0.288041 0.431570 0.170197 O\n0.009103 0.440988 0.771601 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.224522110991391,
"density_atomic": 0.06688794883564594,
"volume": 179.40451469794448,
"volume_molar": 9.003327004087588,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.392681866666667,
"spacegroup": 9
},
{
"id": "jvasp-48586",
"created_at": "2022-09-04T14:36:59.848305Z",
"updated_at": "2022-09-04T14:36:59.848331Z",
"structure_string": "Mn4 O2 F4\n1.0\n5.433619 -0.233632 0.122256\n-2.667422 1.830696 4.731035\n2.919141 -5.056100 -0.000000\nMn O F\n4 2 4\ndirect\n0.152262 0.408311 0.190495 Mn\n0.652262 0.908312 0.565553 Mn\n0.363838 0.062908 0.337939 Mn\n0.863839 0.562909 0.861130 Mn\n0.037031 0.244004 0.482081 O\n0.537032 0.744006 0.224892 O\n0.275851 0.796199 0.924446 F\n0.775851 0.296199 0.095901 F\n0.421020 0.238579 0.748953 F\n0.921021 0.738580 0.568605 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.260330122899674,
"density_atomic": 0.07828140648743667,
"volume": 127.74425561202574,
"volume_molar": 7.692938885770389,
"formula_full": "Mn4 O2 F4",
"formula_reduced": "Mn2OF2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.869119709551724,
"spacegroup": 9
},
{
"id": "jvasp-54715",
"created_at": "2022-09-04T14:37:00.836455Z",
"updated_at": "2022-09-04T14:37:00.836474Z",
"structure_string": "H14 Br2 O6\n1.0\n6.108026 0.000000 0.003661\n-0.012891 2.913432 5.910865\n-0.012891 -2.913432 5.910865\nH Br O\n14 2 6\ndirect\n0.489405 0.774668 0.047946 H\n0.231239 0.315740 0.235306 H\n0.254125 0.209904 0.075055 H\n0.803328 0.239165 0.317206 H\n0.776627 0.080398 0.201425 H\n0.303328 0.817206 0.739166 H\n0.034719 0.722207 0.710684 H\n0.534719 0.210683 0.222207 H\n0.754125 0.575055 0.709904 H\n0.731239 0.735307 0.815741 H\n0.012006 0.276325 0.551626 H\n0.989405 0.547945 0.274668 H\n0.512006 0.051626 0.776325 H\n0.276627 0.701425 0.580399 H\n0.503557 0.502548 0.499032 Br\n0.003557 -0.000969 0.002548 Br\n0.698237 0.125466 0.303915 O\n0.501390 0.865312 0.860448 O\n0.001389 0.360447 0.365312 O\n0.834276 0.622763 0.807122 O\n0.198237 0.803916 0.625467 O\n0.334276 0.307122 0.122762 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 2.1305398016251362,
"density_atomic": 0.10457679166820363,
"volume": 210.37172444341738,
"volume_molar": 5.758582438737237,
"formula_full": "H14 Br2 O6",
"formula_reduced": "H7BrO3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.685323145909091,
"spacegroup": 9
},
{
"id": "jvasp-42697",
"created_at": "2022-09-04T14:37:01.309359Z",
"updated_at": "2022-09-04T14:37:01.309372Z",
"structure_string": "Co2 P2 O8\n1.0\n5.008032 0.014478 -0.020146\n2.294744 7.309089 4.155757\n2.334975 -1.523227 4.160369\nCo P O\n2 2 8\ndirect\n0.196043 0.253254 0.301379 Co\n0.801379 0.753254 0.696043 Co\n0.183947 0.625476 0.067091 P\n0.567091 0.125476 0.683947 P\n0.071947 0.745494 0.291315 O\n0.293309 0.457113 0.216716 O\n0.267455 0.187910 0.945953 O\n0.484231 0.112717 0.429093 O\n0.445952 0.687910 0.767455 O\n0.791315 0.245494 0.571948 O\n0.929094 0.612717 0.984231 O\n0.716716 0.957113 0.793309 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.77177536058287,
"density_atomic": 0.06507417989825294,
"volume": 184.40493631671825,
"volume_molar": 9.254270694484278,
"formula_full": "Co2 P2 O8",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.669936733333333,
"spacegroup": 9
},
{
"id": "jvasp-10676",
"created_at": "2022-09-04T14:37:02.963863Z",
"updated_at": "2022-09-04T14:37:02.963883Z",
"structure_string": "Na8 Re2 N6\n1.0\n5.652827 0.000000 2.069780\n2.431801 5.328388 2.112625\n-0.016179 0.133438 8.798362\nNa Re N\n8 2 6\ndirect\n0.017753 0.226609 0.136384 Na\n0.795567 0.237696 0.524602 Na\n0.252009 0.754325 0.457447 Na\n0.536219 0.254325 0.957447 Na\n0.036283 0.735051 0.860330 Na\n0.368336 0.235050 0.360330 Na\n0.442136 0.737696 0.024602 Na\n0.619254 0.726609 0.636385 Na\n0.142202 0.272677 0.749289 Re\n0.835831 0.772677 0.249289 Re\n0.384363 0.396488 0.691166 N\n0.527983 0.896488 0.191166 N\n0.171453 0.051128 0.643691 N\n0.133726 0.551128 0.143692 N\n0.832884 0.452328 0.869192 N\n0.845597 0.952328 0.369192 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Re",
"N"
],
"chemical_system": "N-Na-Re",
"density": 4.023819064864935,
"density_atomic": 0.06054478685550639,
"volume": 264.2671785794691,
"volume_molar": 9.946588422835122,
"formula_full": "Na8 Re2 N6",
"formula_reduced": "Na4ReN3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.79768546875,
"spacegroup": 9
},
{
"id": "jvasp-56624",
"created_at": "2022-09-04T14:37:03.049973Z",
"updated_at": "2022-09-04T14:37:03.049987Z",
"structure_string": "Rb2 Li2 Mo2 O8\n1.0\n5.416465 0.012991 -1.448061\n-2.900973 4.794352 -0.183549\n0.073394 -0.032203 9.855301\nRb Li Mo O\n2 2 2 8\ndirect\n0.973819 0.463330 0.498301 Rb\n0.034970 0.024483 0.998301 Rb\n0.740839 0.364515 0.127924 Li\n0.763409 0.887086 0.627924 Li\n0.501526 0.251877 0.751931 Mo\n0.500055 0.750406 0.251931 Mo\n0.134029 0.492887 0.226483 O\n0.630947 0.215482 0.929396 O\n0.525437 0.071859 0.221887 O\n0.150028 0.196451 0.721886 O\n0.713914 0.798449 0.429396 O\n0.492656 0.004497 0.629079 O\n0.624582 0.636422 0.129079 O\n0.733596 0.592455 0.726484 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O-Rb",
"density": 3.2655128547114374,
"density_atomic": 0.05455106413255885,
"volume": 256.6402731572763,
"volume_molar": 11.039456068842624,
"formula_full": "Rb2 Li2 Mo2 O8",
"formula_reduced": "RbLiMoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.174072842857143,
"spacegroup": 9
},
{
"id": "jvasp-43925",
"created_at": "2022-09-04T14:37:03.682778Z",
"updated_at": "2022-09-04T14:37:03.682799Z",
"structure_string": "Ge4 N4 O2\n1.0\n0.000000 5.448792 0.000000\n-4.952762 2.724397 -0.003993\n-3.207237 0.000000 5.042817\nGe N O\n4 4 2\ndirect\n0.622640 0.921961 0.634984 Ge\n0.455400 0.921961 0.134983 Ge\n0.284693 0.578424 0.626449 Ge\n0.136884 0.578424 0.126448 Ge\n0.519183 0.734729 0.500509 N\n0.746088 0.734729 0.000509 N\n0.306453 0.339899 0.487169 N\n0.353647 0.339900 0.987170 N\n0.917528 0.925184 0.500891 O\n0.157289 0.925183 0.000891 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"N",
"O"
],
"chemical_system": "Ge-N-O",
"density": 4.617104053945334,
"density_atomic": 0.07344402567354437,
"volume": 136.158113723907,
"volume_molar": 8.199633264614556,
"formula_full": "Ge4 N4 O2",
"formula_reduced": "Ge2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.94085038,
"spacegroup": 9
},
{
"id": "jvasp-9088",
"created_at": "2022-09-04T14:37:03.865856Z",
"updated_at": "2022-09-04T14:37:03.865880Z",
"structure_string": "Ga4 Se6\n1.0\n5.850913 0.040660 3.344814\n1.853242 6.378181 1.059450\n0.001128 0.020330 6.787785\nGa Se\n4 6\ndirect\n0.722466 0.504495 0.494593 Ga\n0.217060 0.004495 0.505407 Ga\n0.415090 0.500747 0.170093 Ga\n0.585183 0.000747 0.829907 Ga\n0.251930 0.888409 0.157434 Se\n0.409365 0.388409 0.842566 Se\n0.789069 0.360808 0.162317 Se\n0.951386 0.860808 0.837683 Se\n0.097450 0.393140 0.523150 Se\n0.620600 0.893140 0.476851 Se\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ga-Se",
"density": 4.944402684911311,
"density_atomic": 0.039561296526080786,
"volume": 252.77230217688899,
"volume_molar": 15.222303839384798,
"formula_full": "Ga4 Se6",
"formula_reduced": "Ga2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.5874875711111112,
"spacegroup": 9
},
{
"id": "jvasp-11748",
"created_at": "2022-09-04T14:37:05.285605Z",
"updated_at": "2022-09-04T14:37:05.285621Z",
"structure_string": "Na8 Fe2 O6\n1.0\n5.794903 0.000000 0.000000\n-2.897452 4.974395 -2.222804\n0.000000 0.019100 8.239537\nNa Fe O\n8 2 6\ndirect\n0.276968 0.220524 0.950706 Na\n0.726526 0.770726 0.031585 Na\n0.943555 0.220523 0.450706 Na\n0.100777 0.615702 0.849868 Na\n0.514925 0.615702 0.349868 Na\n0.866953 0.411949 0.129677 Na\n0.044199 0.770725 0.531585 Na\n0.544997 0.411950 0.629677 Na\n0.630171 0.961706 0.745034 Fe\n0.331535 0.961706 0.245036 Fe\n0.882302 0.872003 0.791893 O\n0.316126 0.632692 0.609712 O\n0.316567 0.632693 0.109713 O\n0.989701 0.872003 0.291892 O\n0.638935 0.298302 0.342630 O\n0.659365 0.298301 0.842631 O\n",
"nsites": 16,
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"elements": [
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"Fe",
"O"
],
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"density": 2.7350039543745552,
"density_atomic": 0.06729473851010573,
"volume": 237.76004416150994,
"volume_molar": 8.94890283152768,
"formula_full": "Na8 Fe2 O6",
"formula_reduced": "Na4FeO3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.9589452500000002,
"spacegroup": 9
},
{
"id": "jvasp-48573",
"created_at": "2022-09-04T14:37:05.629291Z",
"updated_at": "2022-09-04T14:37:05.629309Z",
"structure_string": "V2 O4 F2\n1.0\n2.073076 -4.636084 0.079370\n3.187177 4.103614 -0.301222\n0.090415 -2.790583 4.242841\nV O F\n2 4 2\ndirect\n0.735227 0.188835 0.764390 V\n0.264390 0.688835 0.235228 V\n0.056536 0.390466 0.853186 O\n0.465896 0.398550 0.054707 O\n0.353186 0.890467 0.556536 O\n0.554708 0.898549 0.965896 O\n0.861563 0.385799 0.450927 F\n0.950927 0.885799 0.361563 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.5106215577720143,
"density_atomic": 0.08295752847403136,
"volume": 96.43488839598545,
"volume_molar": 7.259305901193938,
"formula_full": "V2 O4 F2",
"formula_reduced": "VO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.616352870625,
"spacegroup": 9
},
{
"id": "jvasp-9772",
"created_at": "2022-09-04T14:37:05.746211Z",
"updated_at": "2022-09-04T14:37:05.746234Z",
"structure_string": "Ag2 Hg2 As2 S6\n1.0\n6.461802 0.020222 -1.448880\n-3.587431 5.374536 -1.448880\n-0.019786 -0.037136 7.849230\nAg Hg As S\n2 2 2 6\ndirect\n0.016481 0.992314 0.252504 Ag\n0.992312 0.016480 0.752503 Ag\n0.658826 0.307890 0.228219 Hg\n0.307890 0.658826 0.728219 Hg\n0.323534 0.624226 0.209091 As\n0.624225 0.323534 0.709091 As\n0.972454 0.226824 0.051905 S\n0.226824 0.972455 0.551906 S\n0.815706 0.234209 0.513381 S\n0.566428 0.579906 0.577299 S\n0.579906 0.566429 0.077299 S\n0.234210 0.815707 0.013381 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"As",
"S"
],
"chemical_system": "Ag-As-Hg-S",
"density": 5.845378087944873,
"density_atomic": 0.04404112516319285,
"volume": 272.47260272153403,
"volume_molar": 13.673903056938643,
"formula_full": "Ag2 Hg2 As2 S6",
"formula_reduced": "AgHgAsS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.0987256016666664,
"spacegroup": 9
}
]
}