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&page=920",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=918",
"results": [
{
"id": "jvasp-85908",
"created_at": "2022-09-04T14:36:17.904807Z",
"updated_at": "2022-09-04T14:36:17.904822Z",
"structure_string": "B1 As1 O4\n1.0\n3.946168 -0.000000 -2.163119\n-1.185728 3.763813 -2.163119\n0.001003 0.001368 4.682877\nB As O\n1 1 4\ndirect\n0.249999 0.750000 0.500000 B\n0.000000 0.000000 0.000000 As\n0.145136 0.702769 0.733439 O\n0.297231 0.411697 0.266561 O\n0.588303 0.030670 0.733440 O\n0.969330 0.854862 0.266560 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"As",
"O"
],
"chemical_system": "As-B-O",
"density": 3.573521139682204,
"density_atomic": 0.08623609927498445,
"volume": 69.57643087342765,
"volume_molar": 6.983317671636518,
"formula_full": "B1 As1 O4",
"formula_reduced": "BAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7488313888888896,
"spacegroup": 82
},
{
"id": "jvasp-70416",
"created_at": "2022-09-04T14:36:11.959803Z",
"updated_at": "2022-09-04T14:36:11.959829Z",
"structure_string": "Be2 Te1 Cl1\n1.0\n-1.757561 1.757561 6.809692\n1.757561 -1.757561 6.809692\n1.757561 1.757561 -6.809692\nBe Te Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Te\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Te",
"Cl"
],
"chemical_system": "Be-Cl-Te",
"density": 3.5735921567930546,
"density_atomic": 0.04753918329510662,
"volume": 84.14111734249617,
"volume_molar": 12.667741308504727,
"formula_full": "Be2 Te1 Cl1",
"formula_reduced": "Be2TeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2501485085416668,
"spacegroup": 119
},
{
"id": "jvasp-116898",
"created_at": "2022-09-04T14:38:47.190258Z",
"updated_at": "2022-09-04T14:38:47.190273Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.066576 -0.000211 0.000328\n-2.533039 4.387975 -0.000227\n-0.000738 -0.000079 13.782051\nLi V O F\n3 6 3 15\ndirect\n0.337484 0.662925 0.870292 Li\n0.992108 0.995872 0.203628 Li\n0.670436 0.341231 0.536962 Li\n0.029673 0.026606 0.507600 V\n0.692073 0.365779 0.330252 V\n0.663606 0.303666 0.840932 V\n0.967568 0.992964 0.996916 V\n0.306727 0.669724 0.174263 V\n0.340369 0.641267 0.663586 V\n-0.001276 0.615846 0.252408 O\n0.283804 0.334617 0.585740 O\n0.717495 0.049548 0.919074 O\n0.025700 0.313888 0.092618 F\n0.335734 0.310214 0.922103 F\n0.351471 0.352105 0.252484 F\n0.981258 0.666039 0.919149 F\n0.619263 0.616214 0.761186 F\n0.717123 0.669722 0.427854 F\n0.368873 0.970878 0.756408 F\n0.663600 0.714061 0.094504 F\n0.667302 0.981882 0.585821 F\n0.641127 -0.002399 0.255438 F\n0.023144 0.692207 0.588775 F\n0.362431 0.064672 0.423059 F\n0.268663 0.964432 0.089734 F\n0.019389 0.378442 0.759269 F\n0.954871 0.307610 0.425945 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.573932778283322,
"density_atomic": 0.08812145203926029,
"volume": 306.3953143664817,
"volume_molar": 6.8339100419237155,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1304981458333332,
"spacegroup": 145
},
{
"id": "jvasp-40242",
"created_at": "2022-09-04T14:37:54.596586Z",
"updated_at": "2022-09-04T14:37:54.596613Z",
"structure_string": "Rb2 Zn2 H4 Se4 Cl2 O12\n1.0\n0.000000 6.454022 -0.002285\n6.022929 0.000000 0.000000\n0.000000 -2.459622 -10.571489\nRb Zn H Se Cl O\n2 2 4 4 2 12\ndirect\n0.000000 0.835713 0.250000 Rb\n0.000000 0.164287 0.750000 Rb\n0.500000 0.441026 0.250000 Zn\n0.500000 0.558974 0.750000 Zn\n0.072495 0.343043 0.090406 H\n0.927505 0.343043 0.409593 H\n0.072495 0.656957 0.590406 H\n0.927505 0.656957 0.909593 H\n0.704087 0.306842 0.011601 Se\n0.295912 0.306842 0.488398 Se\n0.704088 0.693158 0.511601 Se\n0.295912 0.693158 0.988398 Se\n0.500000 0.944169 0.750000 Cl\n0.500000 0.055831 0.250000 Cl\n0.969329 0.212300 0.076777 O\n0.683105 0.516880 0.114288 O\n0.243201 0.548217 0.116163 O\n0.756799 0.548217 0.383837 O\n0.316895 0.516880 0.385712 O\n0.030671 0.212300 0.423222 O\n0.969329 0.787700 0.576777 O\n0.683105 0.483120 0.614288 O\n0.243201 0.451783 0.616163 O\n0.756799 0.451783 0.883837 O\n0.316895 0.483120 0.885712 O\n0.030671 0.787700 0.923222 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Rb",
"Zn",
"H",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Rb-Se-Zn",
"density": 3.5739516840408085,
"density_atomic": 0.06326495853685177,
"volume": 410.9699998436738,
"volume_molar": 9.518919950753007,
"formula_full": "Rb2 Zn2 H4 Se4 Cl2 O12",
"formula_reduced": "RbZnH2Se2ClO6",
"formula_anonymous": "ABCD2E2F6",
"energy_above_hull": 1.7965432462179487,
"spacegroup": 13
},
{
"id": "jvasp-95284",
"created_at": "2022-09-04T14:36:00.437065Z",
"updated_at": "2022-09-04T14:36:00.437094Z",
"structure_string": "Sr4 Mg4 P12 N20 O8\n1.0\n6.143602 0.000000 -3.312996\n0.000000 6.656926 0.000000\n-0.007196 0.000000 13.948888\nSr Mg P N O\n4 4 12 20 8\ndirect\n0.482291 0.250972 0.604175 Sr\n0.517708 0.750972 0.895825 Sr\n0.517708 0.749029 0.395825 Sr\n0.482291 0.249029 0.104175 Sr\n0.020535 0.493106 0.885133 Mg\n0.979464 0.993107 0.614867 Mg\n0.979464 0.506894 0.114867 Mg\n0.020535 0.006894 0.385133 Mg\n0.276315 0.259812 0.289098 P\n0.723684 0.759812 0.210902 P\n0.723684 0.740189 0.710902 P\n0.276315 0.240189 0.789098 P\n0.259893 0.776176 0.089784 P\n0.740106 0.276176 0.410216 P\n0.259893 0.723825 0.589784 P\n0.064859 0.517234 0.380750 P\n0.935140 0.017233 0.119249 P\n0.935140 0.482767 0.619249 P\n0.064859 0.982767 0.880750 P\n0.740106 0.223825 0.910216 P\n0.178412 0.477110 0.303221 N\n0.728263 0.080855 0.001693 N\n0.271736 0.580855 0.498306 N\n0.271736 0.919146 0.998306 N\n0.728263 0.419146 0.501693 N\n0.513753 0.298401 0.297287 N\n0.486247 0.798401 0.202713 N\n0.486246 0.701600 0.702713 N\n0.513752 0.201599 0.797287 N\n0.821587 0.977110 0.196779 N\n0.052613 0.811463 0.111379 N\n0.178412 0.022891 0.803221 N\n0.821587 0.522891 0.696779 N\n0.947386 0.188537 0.888621 N\n0.947386 0.311463 0.388621 N\n0.052613 0.688538 0.611379 N\n0.893885 0.794772 0.838803 N\n0.893886 0.705229 0.338803 N\n0.106114 0.205228 0.161197 N\n0.106113 0.294772 0.661197 N\n0.711196 0.592168 0.129088 O\n0.221119 0.949595 0.550173 O\n0.778879 0.449595 0.949827 O\n0.778880 0.050406 0.449827 O\n0.221120 0.550406 0.050173 O\n0.288803 0.407833 0.870911 O\n0.711195 0.907833 0.629088 O\n0.288804 0.092168 0.370911 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"P",
"N",
"O"
],
"chemical_system": "Mg-N-O-P-Sr",
"density": 3.57404584528189,
"density_atomic": 0.08416386734948819,
"volume": 570.3159979647952,
"volume_molar": 7.155256702966398,
"formula_full": "Sr4 Mg4 P12 N20 O8",
"formula_reduced": "SrMgP3N5O2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 3.7513945925,
"spacegroup": 14
},
{
"id": "jvasp-3963",
"created_at": "2022-09-04T14:36:35.743050Z",
"updated_at": "2022-09-04T14:36:35.743076Z",
"structure_string": "K2 Pd1 F4\n1.0\n4.283280 -0.027155 0.094052\n0.047948 5.018516 2.493592\n-0.052510 -0.055536 5.603566\nK Pd F\n2 1 4\ndirect\n0.280409 0.652371 0.652371 K\n0.719592 0.347628 0.347629 K\n0.000000 0.000000 0.000000 Pd\n0.778576 0.868460 0.348050 F\n0.221424 0.651950 0.131539 F\n0.221424 0.131539 0.651950 F\n0.778576 0.348049 0.868461 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Pd",
"F"
],
"chemical_system": "F-K-Pd",
"density": 3.5740768980878137,
"density_atomic": 0.057812453934464374,
"volume": 121.08117755968516,
"volume_molar": 10.416684209299676,
"formula_full": "K2 Pd1 F4",
"formula_reduced": "K2PdF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-66852",
"created_at": "2022-09-04T14:35:48.318967Z",
"updated_at": "2022-09-04T14:35:48.318997Z",
"structure_string": "Ca1 Be1 Ge1\n1.0\n-1.638924 1.638924 5.263756\n1.638924 -1.638924 5.263756\n1.638924 1.638924 -5.263756\nCa Be Ge\n1 1 1\ndirect\n0.335894 0.335894 0.000000 Ca\n0.035284 0.035284 0.000000 Be\n0.628823 0.628823 0.000000 Ge\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Ge"
],
"chemical_system": "Be-Ca-Ge",
"density": 3.5741600651036323,
"density_atomic": 0.053045418969955474,
"volume": 56.55530785229875,
"volume_molar": 11.352800820389213,
"formula_full": "Ca1 Be1 Ge1",
"formula_reduced": "CaBeGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6553874899999999,
"spacegroup": 107
},
{
"id": "jvasp-42690",
"created_at": "2022-09-04T14:37:04.858359Z",
"updated_at": "2022-09-04T14:37:04.858384Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.452978 -0.015795 -0.009259\n-0.637188 7.473283 0.009925\n-2.329105 -3.678548 7.518906\nLi V O F\n3 6 3 15\ndirect\n0.414170 0.277415 0.993061 Li\n0.901207 0.533430 0.649835 Li\n0.439865 0.790520 0.017446 Li\n0.646844 0.670781 0.325148 V\n0.667280 0.173670 0.344688 V\n0.019186 0.506315 0.014099 V\n0.357673 0.332889 0.656800 V\n0.006585 0.998493 0.989409 V\n0.326776 0.851634 0.672568 V\n0.228377 0.984855 0.863955 O\n0.571981 0.320538 0.531067 O\n0.365770 0.616834 0.133146 O\n0.304234 0.010164 0.190222 F\n0.718476 0.961427 0.422640 F\n0.747502 0.990611 0.120515 F\n0.621248 0.366089 0.233268 F\n0.947638 0.696233 0.538895 F\n0.424867 0.668704 0.472428 F\n0.626695 0.370574 0.885714 F\n0.037043 0.320922 0.473366 F\n0.374765 0.633986 0.766912 F\n0.945488 0.692262 0.896311 F\n0.278164 0.042008 0.572171 F\n0.061105 0.291285 0.093026 F\n0.103174 0.335663 0.796634 F\n0.699035 0.976366 0.794871 F\n0.906695 0.677518 0.208504 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5744763368082655,
"density_atomic": 0.08813485440843113,
"volume": 306.34872186748777,
"volume_molar": 6.832870832341117,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1331414791666663,
"spacegroup": 1
},
{
"id": "jvasp-98355",
"created_at": "2022-09-04T14:35:49.538261Z",
"updated_at": "2022-09-04T14:35:49.538287Z",
"structure_string": "Ba4 Al16 O28\n1.0\n12.860491 0.000000 0.000000\n0.000000 9.239364 0.000000\n0.000000 0.000000 5.586442\nBa Al O\n4 16 28\ndirect\n0.000000 0.191220 0.884637 Ba\n0.500000 0.691220 0.115362 Ba\n0.000000 0.782737 0.384648 Ba\n0.500000 0.282737 0.615351 Ba\n0.123141 0.551755 0.879100 Al\n0.876859 0.551755 0.879100 Al\n0.376859 0.051755 0.120899 Al\n0.123143 0.422205 0.379101 Al\n0.876857 0.422205 0.379101 Al\n0.376857 0.922205 0.620899 Al\n0.623143 0.922205 0.620899 Al\n0.623140 0.051755 0.120899 Al\n0.674939 0.398747 0.067834 Al\n0.174939 0.898746 0.932165 Al\n0.825061 0.898746 0.932165 Al\n0.325057 0.575220 0.567833 Al\n0.674943 0.575220 0.567833 Al\n0.174943 0.075220 0.432167 Al\n0.825057 0.075220 0.432167 Al\n0.325061 0.398747 0.067834 Al\n0.373916 0.461995 0.341577 O\n0.873913 0.011973 0.158428 O\n0.126087 0.011973 0.158428 O\n0.626087 0.511972 0.841572 O\n0.373913 0.511972 0.841572 O\n0.133329 0.724136 0.997495 O\n0.366671 0.224136 0.002505 O\n0.866671 0.724136 0.997495 O\n0.500000 0.988183 0.198605 O\n0.000000 0.488183 0.801395 O\n0.626084 0.461995 0.341577 O\n0.633329 0.224136 0.002505 O\n0.126084 0.961994 0.658422 O\n0.185331 0.425571 0.083553 O\n0.366662 0.749828 0.502499 O\n0.633338 0.749828 0.502499 O\n0.133338 0.249828 0.497500 O\n0.866662 0.249828 0.497500 O\n0.185328 0.548391 0.583555 O\n0.814672 0.548391 0.583555 O\n0.314672 0.048391 0.416445 O\n0.685328 0.048391 0.416445 O\n0.500000 0.985760 0.698600 O\n0.814669 0.425571 0.083553 O\n0.314669 0.925571 0.916447 O\n0.685331 0.925571 0.916447 O\n0.873915 0.961994 0.658422 O\n0.000000 0.485761 0.301399 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ba",
"Al",
"O"
],
"chemical_system": "Al-Ba-O",
"density": 3.574745548294505,
"density_atomic": 0.07231132446539877,
"volume": 663.7964434321511,
"volume_molar": 8.328074204866233,
"formula_full": "Ba4 Al16 O28",
"formula_reduced": "BaAl4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.101285139166668,
"spacegroup": 62
},
{
"id": "jvasp-1990",
"created_at": "2022-09-04T14:36:07.210976Z",
"updated_at": "2022-09-04T14:36:07.211008Z",
"structure_string": "Co1 Cl2\n1.0\n3.346842 0.010762 5.101890\n1.532096 2.975592 5.101890\n0.017583 0.010762 6.101665\nCo Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.745162 0.745160 0.745163 Cl\n0.254839 0.254838 0.254839 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"Cl"
],
"chemical_system": "Cl-Co",
"density": 3.5755500175730917,
"density_atomic": 0.04975184613787876,
"volume": 60.299269934345986,
"volume_molar": 12.104356375662249,
"formula_full": "Co1 Cl2",
"formula_reduced": "CoCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8413196783333332,
"spacegroup": 166
},
{
"id": "jvasp-74579",
"created_at": "2022-09-04T14:35:49.492697Z",
"updated_at": "2022-09-04T14:35:49.492719Z",
"structure_string": "Sr2 Be1 V1\n1.0\n-2.379811 2.379811 4.821290\n2.379811 -2.379811 4.821290\n2.379811 2.379811 -4.821290\nSr Be V\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"V"
],
"chemical_system": "Be-Sr-V",
"density": 3.575745222349234,
"density_atomic": 0.03662282230578992,
"volume": 109.22151129154283,
"volume_molar": 16.443682875440008,
"formula_full": "Sr2 Be1 V1",
"formula_reduced": "Sr2BeV",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.47699573,
"spacegroup": 119
},
{
"id": "jvasp-12679",
"created_at": "2022-09-04T14:37:07.294351Z",
"updated_at": "2022-09-04T14:37:07.294372Z",
"structure_string": "Ti4 O8\n1.0\n5.145986 -0.000000 2.971036\n1.715329 4.851682 2.971036\n-0.000000 0.000000 5.942073\nTi O\n4 8\ndirect\n0.500000 0.000000 0.500000 Ti\n0.500001 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500001 0.500000 0.500000 Ti\n0.265230 0.265229 0.265230 O\n0.704312 0.265229 0.265230 O\n0.265230 0.704311 0.265230 O\n0.265230 0.265229 0.704311 O\n0.734771 0.295688 0.734771 O\n0.734771 0.734770 0.295689 O\n0.295689 0.734770 0.734771 O\n0.734771 0.734770 0.734771 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.5757819201216803,
"density_atomic": 0.08088767178495981,
"volume": 148.3538805753001,
"volume_molar": 7.445066259305725,
"formula_full": "Ti4 O8",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5414651111111115,
"spacegroup": 227
}
]
}