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=created_at&page=1282",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1280",
"results": [
{
"id": "jvasp-7406",
"created_at": "2022-09-04T14:36:31.839691Z",
"updated_at": "2022-09-04T14:36:31.839711Z",
"structure_string": "H1\n1.0\n20.000000 0.000000 0.000000\n0.000000 20.000000 0.000000\n0.000000 0.000000 20.000000\nH\n1\ndirect\n0.500000 0.500000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.0002092154683486005,
"density_atomic": 0.000125,
"volume": 8000.0,
"volume_molar": 4817.712608,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 2.51648,
"spacegroup": 221
},
{
"id": "jvasp-107383",
"created_at": "2022-09-04T14:36:31.843548Z",
"updated_at": "2022-09-04T14:36:31.843576Z",
"structure_string": "Al1 V1 F5\n1.0\n5.004835 -0.001712 -1.521841\n-0.883788 3.224280 -4.023346\n-0.013769 0.001712 5.231078\nAl V F\n1 1 5\ndirect\n0.499999 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 V\n0.798523 0.500000 0.298524 F\n0.201475 0.500000 0.701475 F\n0.265790 0.265791 -0.000000 F\n0.734208 0.734210 -0.000000 F\n0.499999 -0.000000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"V",
"F"
],
"chemical_system": "Al-F-V",
"density": 3.4030461596391195,
"density_atomic": 0.08296290990064238,
"volume": 84.37505396548053,
"volume_molar": 7.2588350230388565,
"formula_full": "Al1 V1 F5",
"formula_reduced": "AlVF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.402948344642857,
"spacegroup": 71
},
{
"id": "jvasp-78742",
"created_at": "2022-09-04T14:36:31.844485Z",
"updated_at": "2022-09-04T14:36:31.844506Z",
"structure_string": "Ca1 Ag1 P1\n1.0\n4.072529 -0.000000 2.351275\n1.357510 3.839617 2.351275\n-0.000000 -0.000000 4.702551\nCa Ag P\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"P"
],
"chemical_system": "Ag-Ca-P",
"density": 4.040380710776782,
"density_atomic": 0.04079769708317146,
"volume": 73.53356229603123,
"volume_molar": 14.760982091030963,
"formula_full": "Ca1 Ag1 P1",
"formula_reduced": "CaAgP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6087943933333333,
"spacegroup": 216
},
{
"id": "jvasp-99861",
"created_at": "2022-09-04T14:36:31.844905Z",
"updated_at": "2022-09-04T14:36:31.844934Z",
"structure_string": "Mo2 Br6\n1.0\n6.606692 0.000000 0.000000\n-3.303347 5.721563 0.000000\n0.000000 -0.000000 5.995121\nMo Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n-0.000000 0.320230 0.250000 Br\n0.679770 0.679770 0.250000 Br\n-0.000001 0.679770 0.750000 Br\n0.320229 0.320230 0.750000 Br\n0.679770 -0.000000 0.750000 Br\n0.320230 -0.000000 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"Br"
],
"chemical_system": "Br-Mo",
"density": 4.918941237764998,
"density_atomic": 0.03530151053379854,
"volume": 226.61919784822246,
"volume_molar": 17.05915885450356,
"formula_full": "Mo2 Br6",
"formula_reduced": "MoBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.29250955375,
"spacegroup": 193
},
{
"id": "jvasp-100060",
"created_at": "2022-09-04T14:36:31.848418Z",
"updated_at": "2022-09-04T14:36:31.848433Z",
"structure_string": "Li1 Ni1 O2\n1.0\n3.036066 -0.032880 -4.441668\n-0.155885 2.586668 -4.715086\n-0.053226 0.032880 5.379896\nLi Ni O\n1 1 2\ndirect\n0.771358 0.271358 0.500001 Li\n0.507528 0.007528 0.500000 Ni\n0.384273 0.384273 0.000001 O\n0.629844 0.629842 0.000001 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 3.851284707852083,
"density_atomic": 0.09502086841580822,
"volume": 42.09601602982758,
"volume_molar": 6.337703349170951,
"formula_full": "Li1 Ni1 O2",
"formula_reduced": "LiNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.28668235,
"spacegroup": 44
},
{
"id": "jvasp-92633",
"created_at": "2022-09-04T14:36:31.849332Z",
"updated_at": "2022-09-04T14:36:31.849365Z",
"structure_string": "Ca1 Fe2 As2\n1.0\n3.972558 -0.000000 -0.000000\n-0.000000 3.972558 -0.000000\n-1.986278 -1.986278 5.249540\nCa Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.637920 0.637920 0.275840 As\n0.362080 0.362080 0.724160 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"As"
],
"chemical_system": "As-Ca-Fe",
"density": 6.045536107109687,
"density_atomic": 0.06035430617175105,
"volume": 82.84413022281184,
"volume_molar": 9.97798026683086,
"formula_full": "Ca1 Fe2 As2",
"formula_reduced": "Ca(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.243236984,
"spacegroup": 139
},
{
"id": "jvasp-94855",
"created_at": "2022-09-04T14:36:31.849895Z",
"updated_at": "2022-09-04T14:36:31.849915Z",
"structure_string": "Pr2 Cr1 Se4\n1.0\n-0.000000 4.001671 0.000000\n0.660411 0.000000 8.167742\n4.890849 -2.000835 -3.110424\nPr Cr Se\n2 1 4\ndirect\n0.665953 0.687345 0.331907 Pr\n0.334046 0.312655 0.668093 Pr\n0.000000 0.000000 0.000000 Cr\n0.652407 0.047252 0.304814 Se\n0.347592 -0.047252 0.695186 Se\n0.930572 0.639463 0.861148 Se\n0.069427 0.360537 0.138852 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"Cr",
"Se"
],
"chemical_system": "Cr-Pr-Se",
"density": 6.41837128230772,
"density_atomic": 0.04164792799299647,
"volume": 168.0755883264378,
"volume_molar": 14.459640731737446,
"formula_full": "Pr2 Cr1 Se4",
"formula_reduced": "Pr2CrSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.03516150952381,
"spacegroup": 12
},
{
"id": "jvasp-14825",
"created_at": "2022-09-04T14:36:31.850738Z",
"updated_at": "2022-09-04T14:36:31.850756Z",
"structure_string": "Be2\n1.0\n1.132479 -1.961511 -0.000000\n1.132479 1.961511 0.000000\n-0.000000 0.000000 3.566129\nBe\n2\ndirect\n0.333334 0.666668 0.750000 Be\n0.666668 0.333334 0.250000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.889126745149344,
"density_atomic": 0.12623565721044586,
"volume": 15.843384065928579,
"volume_molar": 4.77055444798815,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy_above_hull": 9.999999999621425e-06,
"spacegroup": 194
},
{
"id": "jvasp-102085",
"created_at": "2022-09-04T14:36:31.857219Z",
"updated_at": "2022-09-04T14:36:31.857242Z",
"structure_string": "Rb2 Tl1 Bi1 F6\n1.0\n5.970316 -0.000000 3.446964\n1.990106 5.628868 3.446964\n0.000000 0.000000 6.893927\nRb Tl Bi F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 Bi\n0.767607 0.232394 0.232393 F\n0.232394 0.232394 0.767606 F\n0.232394 0.767607 0.767606 F\n0.232394 0.767607 0.232393 F\n0.767607 0.232394 0.767606 F\n0.767607 0.767607 0.232392 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"Bi",
"F"
],
"chemical_system": "Bi-F-Rb-Tl",
"density": 5.004949300951656,
"density_atomic": 0.04316332944431869,
"volume": 231.67814273688367,
"volume_molar": 13.951983865768852,
"formula_full": "Rb2 Tl1 Bi1 F6",
"formula_reduced": "Rb2TlBiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-95149",
"created_at": "2022-09-04T14:36:31.858290Z",
"updated_at": "2022-09-04T14:36:31.858314Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.414235 0.025707 -0.103182\n0.025707 6.414235 0.103182\n-0.179528 0.179528 10.966193\nSr H O\n2 32 20\ndirect\n-0.018108 -0.008890 0.257049 Sr\n0.008890 0.018109 0.757049 Sr\n0.291957 0.401436 0.650365 H\n0.042996 0.441987 0.628845 H\n0.374108 0.743136 0.640989 H\n0.309827 0.895150 0.528057 H\n0.626263 0.298449 0.652502 H\n0.701944 0.156682 0.544040 H\n0.104852 0.690174 0.028057 H\n0.701553 0.373738 0.152502 H\n0.843320 0.298057 0.044040 H\n0.558014 0.957005 0.128846 H\n0.598565 0.708044 0.150366 H\n0.314218 0.123636 0.050332 H\n0.382207 0.277475 0.157945 H\n0.722526 0.617794 0.657945 H\n0.876365 0.685783 0.550332 H\n0.256865 0.625893 0.140989 H\n0.626910 0.723657 0.858584 H\n0.703141 0.850692 0.974188 H\n0.276344 0.373091 0.358584 H\n0.149309 0.296860 0.474188 H\n0.733951 0.596382 0.361970 H\n0.564481 0.025728 0.389915 H\n0.613699 0.267500 0.361908 H\n0.380318 0.927850 0.270435 H\n0.973549 0.532741 0.376285 H\n0.408124 0.706522 0.345233 H\n0.732501 0.386302 0.861908 H\n0.974273 0.435520 0.889914 H\n0.072151 0.619684 0.770435 H\n0.293479 0.591878 0.845233 H\n0.467260 0.026453 0.876284 H\n0.403619 0.266050 0.861969 H\n0.346892 0.124333 0.886249 O\n0.135744 0.718829 0.113942 O\n0.713644 0.173578 0.633709 O\n0.281172 0.864258 0.613942 O\n0.152182 0.331459 0.629697 O\n0.868765 0.673250 0.641111 O\n0.693421 0.859765 0.882807 O\n0.826423 0.286357 0.133710 O\n0.140584 0.646808 0.850347 O\n0.509611 0.500690 0.824624 O\n0.353194 0.859417 0.350347 O\n0.680257 0.127699 0.388771 O\n0.875668 0.653109 0.386249 O\n0.140237 0.306580 0.382808 O\n0.482411 0.498618 0.187679 O\n0.501383 0.517590 0.687679 O\n0.499311 0.490390 0.324624 O\n0.668542 0.847819 0.129697 O\n0.872302 0.319744 0.888771 O\n0.326751 0.131236 0.141111 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 1.942441236077329,
"density_atomic": 0.11975256969285865,
"volume": 450.9297807846561,
"volume_molar": 5.028819653261374,
"formula_full": "Sr2 H32 O20",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
"energy_above_hull": 3.029282641111112,
"spacegroup": 9
},
{
"id": "jvasp-43293",
"created_at": "2022-09-04T14:36:31.859689Z",
"updated_at": "2022-09-04T14:36:31.859723Z",
"structure_string": "Li5 Ti6 Fe1 O16\n1.0\n0.000000 5.889091 0.030207\n5.945022 0.000000 0.000000\n0.000000 -0.090859 -8.389446\nLi Ti Fe O\n5 6 1 16\ndirect\n0.507810 0.500000 0.999348 Li\n0.760484 0.000000 0.882129 Li\n0.990366 0.000000 0.500477 Li\n0.264703 0.500000 0.378863 Li\n0.230937 0.000000 0.120214 Li\n0.747976 0.751288 0.241087 Ti\n0.474224 0.000000 0.492716 Ti\n0.747976 0.248712 0.241087 Ti\n0.248691 0.758391 0.753500 Ti\n0.011805 0.500000 0.010092 Ti\n0.248691 0.241609 0.753500 Ti\n0.738093 0.500000 0.616106 Fe\n0.735330 0.238950 0.491031 O\n0.538749 0.500000 0.248184 O\n0.986508 0.500000 0.240405 O\n0.515706 0.000000 0.260370 O\n0.959698 0.000000 0.259549 O\n0.735330 0.761049 0.491031 O\n0.262907 0.230459 0.517837 O\n0.241586 0.272722 0.978919 O\n0.035516 0.000000 0.748199 O\n0.479038 0.000000 0.740843 O\n0.478771 0.500000 0.747398 O\n0.012538 0.500000 0.753681 O\n0.771033 0.269923 0.018340 O\n0.241586 0.727278 0.978919 O\n0.262907 0.769541 0.517837 O\n0.771033 0.730077 0.018340 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 3.583034366029522,
"density_atomic": 0.09533385246322616,
"volume": 293.7046943613303,
"volume_molar": 6.316896468988249,
"formula_full": "Li5 Ti6 Fe1 O16",
"formula_reduced": "Li5Ti6FeO16",
"formula_anonymous": "AB5C6D16",
"energy_above_hull": 3.0356293392857143,
"spacegroup": 6
},
{
"id": "jvasp-30673",
"created_at": "2022-09-04T14:36:31.861151Z",
"updated_at": "2022-09-04T14:36:31.861173Z",
"structure_string": "Y1 V1 F5\n1.0\n3.881784 -0.000000 1.427491\n1.600019 5.258103 1.640684\n0.094417 0.043453 5.734871\nY V F\n1 1 5\ndirect\n0.500000 0.499999 0.500000 Y\n0.000000 0.000000 0.000000 V\n0.500000 0.824224 0.175775 F\n0.500000 0.175775 0.824224 F\n0.766599 0.233400 0.233400 F\n0.233401 0.766599 0.766599 F\n0.000001 0.499999 0.499999 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"V",
"F"
],
"chemical_system": "F-V-Y",
"density": 3.3568839120587572,
"density_atomic": 0.06025795184725703,
"volume": 116.16724076091616,
"volume_molar": 9.99393536518638,
"formula_full": "Y1 V1 F5",
"formula_reduced": "YVF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.6142830089285715,
"spacegroup": 71
}
]
}