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=418",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=416",
"results": [
{
"id": "jvasp-111942",
"created_at": "2022-09-04T14:38:53.125777Z",
"updated_at": "2022-09-04T14:38:53.125803Z",
"structure_string": "Co8 O16\n1.0\n5.574552 0.000000 0.000000\n-2.787277 4.827704 -0.000000\n0.000000 -0.000000 8.419531\nCo O\n8 16\ndirect\n0.166965 0.833033 0.207959 Co\n0.333332 0.666666 0.489681 Co\n0.166965 0.333930 0.207959 Co\n0.666068 0.833033 0.207959 Co\n0.333930 0.166966 0.707959 Co\n0.666666 0.333333 0.989680 Co\n0.833033 0.666069 0.707959 Co\n0.833034 0.166966 0.707959 Co\n0.832719 0.665438 0.102210 O\n0.666666 0.333333 0.595886 O\n0.521026 0.042054 0.841756 O\n0.521026 0.478973 0.841756 O\n0.665438 0.832719 0.602210 O\n0.334561 0.167280 0.102210 O\n0.478973 0.521026 0.341756 O\n0.000000 0.000000 0.323566 O\n0.167280 0.334561 0.602210 O\n0.000000 0.000000 0.823566 O\n0.957945 0.478973 0.841756 O\n0.333332 0.666666 0.095886 O\n0.042053 0.521026 0.341756 O\n0.167279 0.832719 0.602210 O\n0.478972 0.957945 0.341756 O\n0.832720 0.167280 0.102210 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 5.331105758331704,
"density_atomic": 0.10591872297824792,
"volume": 226.58883458148168,
"volume_molar": 5.685624402058493,
"formula_full": "Co8 O16",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0543359666666667,
"spacegroup": 186
},
{
"id": "jvasp-120593",
"created_at": "2022-09-04T14:38:52.889466Z",
"updated_at": "2022-09-04T14:38:52.889488Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n7.186862 0.000000 0.000000\n-0.000000 5.122457 1.783193\n-0.000000 0.565291 8.699438\nLi V O F\n4 4 4 12\ndirect\n0.440297 0.703292 0.862826 Li\n0.059703 0.703292 0.362826 Li\n0.940297 0.296708 0.637174 Li\n0.559703 0.296709 0.137174 Li\n0.647899 0.844112 0.539351 V\n0.852101 0.844112 0.039351 V\n0.147899 0.155888 0.960649 V\n0.352101 0.155888 0.460648 V\n0.479860 0.025919 0.642040 O\n0.020140 0.025919 0.142040 O\n0.979860 0.974081 0.857960 O\n0.520140 0.974081 0.357960 O\n0.827766 0.078219 0.538851 F\n0.327766 0.921781 0.961149 F\n0.172234 0.921781 0.461149 F\n0.555744 0.538061 0.699841 F\n0.831066 0.631540 0.490685 F\n0.331066 0.368460 0.009315 F\n0.055744 0.461939 0.800159 F\n0.944256 0.538062 0.199841 F\n0.668933 0.631540 -0.009315 F\n0.168933 0.368460 0.509315 F\n0.444256 0.461939 0.300159 F\n0.672234 0.078220 0.038851 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.7771587358350196,
"density_atomic": 0.07667241831802385,
"volume": 313.0199950189673,
"volume_molar": 7.854376961244667,
"formula_full": "Li4 V4 O4 F12",
"formula_reduced": "LiVOF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.8209780912500002,
"spacegroup": 14
},
{
"id": "jvasp-119451",
"created_at": "2022-09-04T14:38:52.861510Z",
"updated_at": "2022-09-04T14:38:52.861536Z",
"structure_string": "Tm16 Mg4 Co4\n1.0\n8.117080 -0.000000 4.686398\n2.705693 7.652856 4.686398\n-0.000000 -0.000000 9.372796\nTm Mg Co\n16 4 4\ndirect\n0.343834 0.343835 0.343835 Tm\n0.936708 0.936709 0.563292 Tm\n0.563291 0.563292 0.936709 Tm\n0.936708 0.563292 0.936709 Tm\n0.563291 0.936709 0.563292 Tm\n0.936708 0.563292 0.563292 Tm\n0.813561 0.813562 0.186439 Tm\n0.186439 0.186439 0.813562 Tm\n0.563291 0.936709 0.936709 Tm\n0.186438 0.813562 0.186439 Tm\n0.186438 0.813562 0.813562 Tm\n0.813561 0.186439 0.186439 Tm\n0.968497 0.343835 0.343835 Tm\n0.343834 0.968498 0.343835 Tm\n0.343834 0.343835 0.968498 Tm\n0.813561 0.186439 0.813562 Tm\n0.579534 0.579535 0.579535 Mg\n0.579534 0.579535 0.261395 Mg\n0.579535 0.261395 0.579535 Mg\n0.261394 0.579535 0.579535 Mg\n0.140412 0.578763 0.140413 Co\n0.140412 0.140412 0.140413 Co\n0.140412 0.140412 0.578763 Co\n0.578763 0.140412 0.140413 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Tm",
"density": 8.658527631015426,
"density_atomic": 0.04122101764757812,
"volume": 582.2272561339854,
"volume_molar": 14.609393711447643,
"formula_full": "Tm16 Mg4 Co4",
"formula_reduced": "Tm4MgCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.414399491666667,
"spacegroup": 216
},
{
"id": "jvasp-122010",
"created_at": "2022-09-04T14:38:53.540109Z",
"updated_at": "2022-09-04T14:38:53.540125Z",
"structure_string": "Li7 Co5 O12\n1.0\n14.021765 0.000995 2.330816\n13.733696 2.827632 2.330816\n0.002206 0.000225 4.911518\nLi Co O\n7 5 12\ndirect\n0.250009 0.250007 0.749838 Li\n0.420576 0.420573 0.916787 Li\n0.579425 0.579426 0.083216 Li\n0.923423 0.923423 0.429527 Li\n0.076578 0.076576 0.570475 Li\n0.749992 0.749992 0.250165 Li\n0.500000 0.500000 0.500001 Li\n0.666790 0.666789 0.662469 Co\n0.333211 0.333210 0.337533 Co\n0.833334 0.833332 0.837172 Co\n0.000000 0.000000 0.000000 Co\n0.166667 0.166667 0.162830 Co\n0.960801 0.960800 0.736011 O\n0.368888 0.368886 0.636014 O\n0.537567 0.537566 0.808651 O\n0.703526 0.703524 0.961583 O\n0.039200 0.039199 0.263991 O\n0.203636 0.203634 0.460576 O\n0.868265 0.868266 0.138306 O\n0.131736 0.131733 0.861696 O\n0.296475 0.296475 0.038419 O\n0.462433 0.462434 0.191351 O\n0.796365 0.796365 0.539426 O\n0.631113 0.631113 0.363988 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.566079869790713,
"density_atomic": 0.12329696894157327,
"volume": 194.65198703605503,
"volume_molar": 4.884256938103411,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5971594375,
"spacegroup": 12
},
{
"id": "jvasp-122067",
"created_at": "2022-09-04T14:38:52.674889Z",
"updated_at": "2022-09-04T14:38:52.674917Z",
"structure_string": "Tl8 Cu2 Te2 O12\n1.0\n5.750879 0.055614 1.706718\n0.552734 8.103026 3.394754\n-0.004599 0.031457 9.249604\nTl Cu Te O\n8 2 2 12\ndirect\n0.919960 0.110293 0.797741 Tl\n0.080039 0.889707 0.202259 Tl\n0.873882 0.254073 0.345412 Tl\n0.126118 0.745928 0.654588 Tl\n0.273080 0.390073 0.465863 Tl\n0.726919 0.609927 0.534136 Tl\n0.509285 0.923939 0.763050 Tl\n0.490714 0.076062 0.236950 Tl\n0.776065 0.444511 0.944281 Cu\n0.223935 0.555489 0.055718 Cu\n0.658711 0.668342 0.135487 Te\n0.341288 0.331658 0.864512 Te\n0.631126 0.256300 0.953457 O\n0.270321 0.108234 0.920510 O\n0.729678 0.891766 0.079489 O\n0.536944 0.347283 0.652413 O\n0.463055 0.652717 0.347586 O\n0.837126 0.665973 0.920070 O\n0.162873 0.334028 0.079929 O\n0.937794 0.574612 0.228585 O\n0.062205 0.425388 0.771414 O\n0.402553 0.560158 0.833286 O\n0.597446 0.439842 0.166714 O\n0.368874 0.743700 0.046543 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tl",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-O-Te-Tl",
"density": 8.527508743536163,
"density_atomic": 0.0557852727118647,
"volume": 430.2210750848504,
"volume_molar": 10.795216133664576,
"formula_full": "Tl8 Cu2 Te2 O12",
"formula_reduced": "Tl4CuTeO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": null,
"spacegroup": 2
},
{
"id": "jvasp-122475",
"created_at": "2022-09-04T14:38:53.186482Z",
"updated_at": "2022-09-04T14:38:53.186507Z",
"structure_string": "Na1 Ca3 Mg1 Fe1 Si4 O14\n1.0\n5.045765 -0.015534 0.114643\n0.071789 7.804254 0.050435\n0.073210 -0.010486 7.886187\nNa Ca Mg Fe Si O\n1 3 1 1 4 14\ndirect\n0.507566 0.816350 0.334540 Na\n0.511199 0.345909 0.183099 Ca\n0.504116 0.160634 0.653626 Ca\n0.479771 0.653803 0.827007 Ca\n0.996841 0.493908 0.501405 Mg\n0.006703 0.010816 0.000879 Fe\n0.951684 0.637359 0.136866 Si\n0.067394 0.143156 0.362805 Si\n0.928110 0.361390 0.853525 Si\n0.052176 0.859421 0.642192 Si\n0.819898 0.825860 0.091785 O\n0.231701 0.309095 0.429765 O\n0.775346 0.187332 0.930222 O\n0.190419 0.674541 0.606029 O\n0.210061 0.933957 0.810535 O\n0.766673 0.410158 0.683721 O\n0.750478 0.161228 0.368975 O\n0.801206 0.568850 0.309123 O\n0.734816 0.868302 0.663432 O\n0.245146 0.350941 0.840621 O\n0.174928 0.984983 0.486472 O\n0.270302 0.623894 0.121177 O\n0.207363 0.106028 0.173323 O\n0.816118 0.512080 0.988885 O\n",
"nsites": 24,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Mg",
"Fe",
"Si",
"O"
],
"chemical_system": "Ca-Fe-Mg-Na-O-Si",
"density": 2.9933700928486573,
"density_atomic": 0.07729680347211793,
"volume": 310.49149411019494,
"volume_molar": 7.790931176309603,
"formula_full": "Na1 Ca3 Mg1 Fe1 Si4 O14",
"formula_reduced": "NaCa3MgFe(Si2O7)2",
"formula_anonymous": "ABCD3E4F14",
"energy_above_hull": 2.368621175416666,
"spacegroup": 1
},
{
"id": "jvasp-119598",
"created_at": "2022-09-04T14:38:52.451780Z",
"updated_at": "2022-09-04T14:38:52.451817Z",
"structure_string": "Mn4 Ag4 O16\n1.0\n5.892671 0.000000 0.000000\n0.000000 7.421997 0.000000\n-0.000000 0.000000 7.216682\nMn Ag O\n4 4 16\ndirect\n0.750000 0.165549 0.500025 Mn\n0.250000 0.665549 0.999975 Mn\n0.250000 0.834452 0.499975 Mn\n0.750000 0.334451 0.000025 Mn\n0.750000 0.750004 0.249970 Ag\n0.250000 0.250004 0.250030 Ag\n0.250000 0.249996 0.750030 Ag\n0.750000 0.749996 0.749970 Ag\n0.484310 0.785933 0.999989 O\n0.984310 0.285932 0.500010 O\n0.984310 0.214068 0.000010 O\n0.484310 0.714068 0.499990 O\n0.015690 0.785933 0.999989 O\n0.515690 0.285932 0.500010 O\n0.750000 0.462968 0.816087 O\n0.750000 0.462951 0.183977 O\n0.250000 0.537032 0.183913 O\n0.750000 0.037032 0.316087 O\n0.015690 0.714068 0.499990 O\n0.250000 -0.037049 0.316023 O\n0.250000 0.537050 0.816023 O\n0.750000 0.037049 0.683977 O\n0.250000 0.962968 0.683913 O\n0.515690 0.214068 0.000010 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Ag",
"O"
],
"chemical_system": "Ag-Mn-O",
"density": 4.772972852994964,
"density_atomic": 0.07603975419639188,
"volume": 315.6243764020322,
"volume_molar": 7.919726758251086,
"formula_full": "Mn4 Ag4 O16",
"formula_reduced": "MnAgO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.335401416896552,
"spacegroup": 74
},
{
"id": "jvasp-111989",
"created_at": "2022-09-04T14:38:52.586722Z",
"updated_at": "2022-09-04T14:38:52.586748Z",
"structure_string": "Mn8 O14 F2\n1.0\n5.413726 0.000000 0.000000\n0.000000 4.279912 2.351781\n0.000000 -0.006709 10.000135\nMn O F\n8 14 2\ndirect\n0.833822 0.248216 0.006044 Mn\n0.142059 0.725920 0.005053 Mn\n0.631467 0.520111 0.241487 Mn\n0.348690 0.997232 0.254729 Mn\n0.166178 0.248215 0.506043 Mn\n0.857942 0.725920 0.505053 Mn\n0.651311 0.997232 0.754729 Mn\n0.368534 0.520111 0.741487 Mn\n0.884675 0.689156 0.885253 O\n0.384120 0.715405 0.865580 O\n0.613616 0.218063 0.866127 O\n0.394679 0.289388 0.633673 O\n0.622073 0.789683 0.632075 O\n0.122319 0.808223 0.613882 O\n0.891213 0.295649 0.618498 O\n0.377928 0.789683 0.132076 O\n0.386385 0.218063 0.366127 O\n0.615881 0.715405 0.365581 O\n0.605322 0.289388 0.133673 O\n0.108788 0.295649 0.118498 O\n0.877682 0.808223 0.113883 O\n0.115325 0.689156 0.385254 O\n0.880481 0.202947 0.377594 F\n0.119520 0.202947 0.877594 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.025453369624278,
"density_atomic": 0.10354143860543949,
"volume": 231.79125501100748,
"volume_molar": 5.816164852555594,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.26775781233477,
"spacegroup": 7
},
{
"id": "jvasp-120753",
"created_at": "2022-09-04T14:38:53.454358Z",
"updated_at": "2022-09-04T14:38:53.454384Z",
"structure_string": "Li4 Mn1 Fe3 B4 O12\n1.0\n5.188420 -0.133420 -0.005278\n-0.088036 5.829343 1.064005\n-0.210273 -0.199756 7.722181\nLi Mn Fe B O\n4 1 3 4 12\ndirect\n0.587510 0.891929 0.810841 Li\n0.912302 0.607707 0.687911 Li\n0.083247 0.373509 0.310170 Li\n0.415076 0.122344 0.190833 Li\n0.084390 0.087542 0.672925 Mn\n0.422458 0.420588 0.830127 Fe\n0.892636 0.884038 0.314166 Fe\n0.603838 0.600518 0.178359 Fe\n0.098354 0.738787 -0.002355 B\n0.588838 0.258429 0.499826 B\n0.398636 0.757477 0.499387 B\n0.914097 0.248049 0.003442 B\n0.052281 0.137488 0.143822 O\n0.363540 0.726887 0.983281 O\n0.946117 0.836325 0.859976 O\n0.038983 0.342613 0.849044 O\n0.134018 0.774632 0.512562 O\n0.547586 0.661478 0.640215 O\n0.516520 0.853080 0.343273 O\n0.471200 0.165954 0.658241 O\n0.442255 0.356773 0.358428 O\n0.851584 0.243922 0.485168 O\n0.984649 0.638436 0.154220 O\n0.649882 0.271477 0.016143 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.4363650541740918,
"density_atomic": 0.10230470347731911,
"volume": 234.59331960549386,
"volume_molar": 5.886474966749798,
"formula_full": "Li4 Mn1 Fe3 B4 O12",
"formula_reduced": "Li4MnFe3(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.322998169779693,
"spacegroup": 1
},
{
"id": "jvasp-122070",
"created_at": "2022-09-04T14:38:52.754706Z",
"updated_at": "2022-09-04T14:38:52.754732Z",
"structure_string": "Hf8 Bi16\n1.0\n4.046022 -0.000000 0.000000\n0.000000 10.278639 0.000000\n0.000000 0.000000 15.738331\nHf Bi\n8 16\ndirect\n-0.000000 0.839674 0.494737 Hf\n-0.000000 0.160326 0.505263 Hf\n0.500000 0.660326 0.994737 Hf\n0.500000 0.339674 0.005263 Hf\n0.500000 0.523238 0.254288 Hf\n0.500000 0.476762 0.745712 Hf\n-0.000000 0.976762 0.754288 Hf\n-0.000000 0.023238 0.245712 Hf\n-0.000000 0.485259 0.892198 Bi\n-0.000000 0.514741 0.107802 Bi\n0.500000 0.236702 0.199731 Bi\n0.500000 0.763298 0.800269 Bi\n-0.000000 0.263298 0.699731 Bi\n-0.000000 0.736702 0.300269 Bi\n-0.000000 0.346613 0.351038 Bi\n-0.000000 0.125879 0.055819 Bi\n0.500000 0.153387 0.851038 Bi\n0.500000 0.846613 0.148962 Bi\n0.500000 0.985259 0.607802 Bi\n-0.000000 0.874121 0.944181 Bi\n0.500000 0.374121 0.555819 Bi\n0.500000 0.625879 0.444181 Bi\n-0.000000 0.653387 0.648962 Bi\n0.500000 0.014741 0.392198 Bi\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Hf",
"Bi"
],
"chemical_system": "Bi-Hf",
"density": 12.105735529394913,
"density_atomic": 0.03666812588056356,
"volume": 654.5194068050673,
"volume_molar": 16.42336665804924,
"formula_full": "Hf8 Bi16",
"formula_reduced": "HfBi2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 58
},
{
"id": "jvasp-111744",
"created_at": "2022-09-04T14:38:52.691406Z",
"updated_at": "2022-09-04T14:38:52.691422Z",
"structure_string": "Li2 Eu2 W4 O16\n1.0\n5.879689 0.000000 0.000000\n0.000000 4.643190 1.938515\n0.000000 -0.068430 10.958898\nLi Eu W O\n2 2 4 16\ndirect\n0.756680 -0.000000 0.750000 Li\n0.243320 -0.000000 0.250000 Li\n0.298548 0.500000 0.750000 Eu\n0.701452 0.500000 0.250000 Eu\n0.818623 0.733972 0.520000 W\n0.181377 0.266028 0.480001 W\n0.818623 0.266028 0.980001 W\n0.181377 0.733972 0.020000 W\n0.367924 0.222761 0.359042 O\n0.632076 0.777239 0.640959 O\n0.075688 0.640514 0.383981 O\n0.924312 0.359486 0.616020 O\n0.075688 0.359486 0.116020 O\n0.924312 0.640514 0.883981 O\n0.622130 0.707010 0.398944 O\n0.110491 0.862043 0.593056 O\n0.622130 0.292990 0.101057 O\n0.377870 0.707010 0.898944 O\n0.632076 0.222761 0.859042 O\n0.889509 0.137957 0.406945 O\n0.110491 0.137957 0.906945 O\n0.889509 0.862043 0.093056 O\n0.377870 0.292990 0.601057 O\n0.367924 0.777239 0.140959 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Eu",
"W",
"O"
],
"chemical_system": "Eu-Li-O-W",
"density": 7.247255163748909,
"density_atomic": 0.08000973583035088,
"volume": 299.96349507875567,
"volume_molar": 7.526759959274308,
"formula_full": "Li2 Eu2 W4 O16",
"formula_reduced": "LiEu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.564480666666667,
"spacegroup": 13
},
{
"id": "jvasp-120483",
"created_at": "2022-09-04T14:38:53.019530Z",
"updated_at": "2022-09-04T14:38:53.019558Z",
"structure_string": "Er16 Mg4 Rh4\n1.0\n8.265412 -0.000000 4.772038\n2.755137 7.792705 4.772038\n-0.000000 -0.000000 9.544076\nEr Mg Rh\n16 4 4\ndirect\n0.347016 0.347017 0.347017 Er\n0.934595 0.934595 0.565406 Er\n0.565405 0.565406 0.934595 Er\n0.934595 0.565406 0.934595 Er\n0.565405 0.934595 0.565406 Er\n0.934595 0.565406 0.565406 Er\n0.812402 0.812402 0.187598 Er\n0.187598 0.187598 0.812402 Er\n0.565405 0.934595 0.934595 Er\n0.187598 0.812402 0.187598 Er\n0.187598 0.812402 0.812402 Er\n0.812402 0.187598 0.187599 Er\n0.958949 0.347017 0.347017 Er\n0.347016 0.958950 0.347017 Er\n0.347016 0.347017 0.958950 Er\n0.812402 0.187598 0.812402 Er\n0.579911 0.579912 0.579912 Mg\n0.579911 0.579912 0.260265 Mg\n0.579911 0.260265 0.579912 Mg\n0.260265 0.579912 0.579912 Mg\n0.141731 0.574808 0.141731 Rh\n0.141731 0.141731 0.141731 Rh\n0.141731 0.141731 0.574808 Rh\n0.574807 0.141731 0.141731 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Rh"
],
"chemical_system": "Er-Mg-Rh",
"density": 8.603397596730892,
"density_atomic": 0.039041330562581224,
"volume": 614.7331470050501,
"volume_molar": 15.425039754592436,
"formula_full": "Er16 Mg4 Rh4",
"formula_reduced": "Er4MgRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3150236750000002,
"spacegroup": 216
}
]
}