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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4627",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4625",
"results": [
{
"id": "jvasp-97406",
"created_at": "2022-09-04T14:35:44.329471Z",
"updated_at": "2022-09-04T14:35:44.329490Z",
"structure_string": "Al2 P2 O8\n1.0\n4.770292 -0.421406 0.086464\n-2.470044 4.740658 -0.102192\n0.291190 0.036516 7.043445\nAl P O\n2 2 8\ndirect\n0.402646 0.929421 0.166727 Al\n-0.127401 0.420336 0.500057 Al\n0.843956 0.471374 0.936457 P\n0.581229 0.556458 0.171939 P\n0.782067 0.178472 0.014464 O\n0.304742 0.533314 0.515938 O\n0.309770 0.220894 0.208033 O\n0.443842 -0.172586 0.584492 O\n0.731695 0.439477 0.731499 O\n-0.091863 0.644368 0.305589 O\n0.206383 0.729334 0.949445 O\n0.612937 0.049139 0.408955 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 2.667126818709251,
"density_atomic": 0.07902303128617212,
"volume": 151.85446324557566,
"volume_molar": 7.620741272492526,
"formula_full": "Al2 P2 O8",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3308770500000007,
"spacegroup": 1
},
{
"id": "jvasp-97853",
"created_at": "2022-09-04T14:35:44.544770Z",
"updated_at": "2022-09-04T14:35:44.544796Z",
"structure_string": "Sn3 P1 O4 F3\n1.0\n5.988612 -0.257544 -4.009949\n-4.409692 5.357723 -2.853123\n-0.728106 -0.927368 7.033942\nSn P O F\n3 1 4 3\ndirect\n0.550512 0.718704 0.658545 Sn\n0.658381 0.541883 0.067466 Sn\n0.535609 0.140343 0.192194 Sn\n0.340616 0.788531 0.182964 P\n-0.104854 0.537086 -0.224280 O\n0.426516 0.623760 0.142976 O\n0.490301 -0.046219 0.541387 O\n0.289619 0.117369 0.812782 O\n0.042408 0.599424 0.526332 F\n0.841010 0.102082 0.223649 F\n0.130879 0.078037 0.076985 F\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Sn",
"P",
"O",
"F"
],
"chemical_system": "F-O-P-Sn",
"density": 4.984234315364197,
"density_atomic": 0.06498240403035628,
"volume": 169.2765936277364,
"volume_molar": 9.267340674541343,
"formula_full": "Sn3 P1 O4 F3",
"formula_reduced": "Sn3PO4F3",
"formula_anonymous": "AB3C3D4",
"energy_above_hull": 1.2998186770454545,
"spacegroup": 1
},
{
"id": "jvasp-98086",
"created_at": "2022-09-04T14:35:45.052269Z",
"updated_at": "2022-09-04T14:35:45.052297Z",
"structure_string": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26\n1.0\n5.448050 0.003106 -0.459791\n-0.095689 7.084608 -1.104709\n0.024422 0.025087 14.759913\nBa Na Ca Ti Si S O\n4 2 1 3 4 2 26\ndirect\n0.415060 0.167827 0.618901 Ba\n0.933045 0.704918 0.705194 Ba\n0.001518 0.996448 0.016279 Ba\n0.483234 0.458242 0.930332 Ba\n0.708850 0.577144 0.317726 Na\n0.207903 0.317827 0.318120 Na\n0.209770 0.856863 0.317493 Ca\n0.391019 0.643591 0.520381 Ti\n0.709211 0.093660 0.318054 Ti\n0.025519 0.520693 0.114877 Ti\n0.529373 0.241088 0.128412 Si\n0.885816 0.922871 0.508026 Si\n0.530708 0.804939 0.125376 Si\n0.887422 0.358462 0.509195 Si\n0.953091 0.283132 0.795009 S\n0.462878 0.880151 0.840528 S\n0.247871 0.785142 0.872329 O\n0.168290 0.377799 0.763172 O\n0.546625 0.838391 0.235861 O\n0.967334 0.051335 0.242995 O\n0.271880 0.696922 0.078779 O\n0.546153 0.273679 0.238897 O\n0.368960 0.611867 0.403810 O\n0.439578 0.850921 0.737388 O\n0.692385 0.785237 0.872113 O\n0.870843 0.889355 0.397665 O\n0.451174 0.096092 0.393233 O\n0.762292 0.323091 0.081790 O\n0.047602 0.562740 0.231423 O\n0.976187 0.312747 0.898191 O\n0.870492 0.324090 0.398571 O\n0.654220 0.841368 0.555408 O\n0.143267 0.841865 0.553749 O\n0.273073 0.322291 0.082551 O\n0.763649 0.695940 0.076947 O\n0.653147 0.467521 0.556715 O\n0.145114 0.466793 0.555805 O\n0.471634 0.081469 0.879648 O\n0.943911 0.081757 0.756123 O\n0.899998 0.153545 0.551020 O\n0.723819 0.378245 0.763298 O\n0.516876 0.010869 0.084514 O\n",
"nsites": 42,
"nelements": 7,
"elements": [
"Ba",
"Na",
"Ca",
"Ti",
"Si",
"S",
"O"
],
"chemical_system": "Ba-Ca-Na-O-S-Si-Ti",
"density": 3.9957652648864115,
"density_atomic": 0.07369342661798843,
"volume": 569.9287158638906,
"volume_molar": 8.171883214519987,
"formula_full": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26",
"formula_reduced": "Ba4Na2CaTi3Si4(SO13)2",
"formula_anonymous": "AB2C2D3E4F4G26",
"energy_above_hull": 2.642633873809524,
"spacegroup": 1
},
{
"id": "jvasp-43560",
"created_at": "2022-09-04T14:35:44.951459Z",
"updated_at": "2022-09-04T14:35:44.951480Z",
"structure_string": "Li1 V4 O5 F7\n1.0\n4.979421 -0.002907 0.008090\n2.387012 4.701917 0.031790\n2.307519 1.683718 8.316367\nLi V O F\n1 4 5 7\ndirect\n0.428532 0.261208 0.853295 Li\n0.985694 0.989297 0.007074 V\n0.795978 0.728566 0.736219 V\n0.513223 0.519393 0.493345 V\n0.201754 0.263554 0.243900 V\n0.178121 0.186467 0.066978 O\n0.825520 0.423299 0.323900 O\n0.181022 0.564167 0.679156 O\n0.836108 0.837070 0.920445 O\n0.673147 0.671095 0.577789 O\n0.326728 0.314702 0.426873 F\n0.728188 0.386743 0.880616 F\n0.328837 0.951168 0.823285 F\n0.732007 0.129539 0.630854 F\n0.246493 0.877706 0.372837 F\n0.672550 0.067422 0.189330 F\n0.243812 0.622544 0.129758 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.6182839704562855,
"density_atomic": 0.08742816540655704,
"volume": 194.4453474569308,
"volume_molar": 6.88810148536909,
"formula_full": "Li1 V4 O5 F7",
"formula_reduced": "LiV4O5F7",
"formula_anonymous": "AB4C5D7",
"energy_above_hull": 1.983862722205883,
"spacegroup": 1
},
{
"id": "jvasp-48402",
"created_at": "2022-09-04T14:35:45.130451Z",
"updated_at": "2022-09-04T14:35:45.130472Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.508528 0.005553 0.004086\n-0.014911 7.561785 -0.025607\n-0.031792 -0.668699 7.582835\nMn O F\n8 8 8\ndirect\n0.488392 0.951966 0.315661 Mn\n0.483546 0.050996 0.719022 Mn\n0.518220 0.461318 0.811088 Mn\n0.525626 0.563429 0.211571 Mn\n-0.000208 0.184776 0.037085 Mn\n0.044102 0.300731 0.431704 Mn\n0.039060 0.703158 0.535089 Mn\n0.003823 0.782370 0.936069 Mn\n0.728748 0.602501 0.987841 O\n0.733247 0.743577 0.354723 O\n0.713206 0.231725 0.857497 O\n0.274437 0.915167 0.526892 O\n0.245158 0.518817 0.392988 O\n0.231203 0.646820 0.760155 O\n0.224611 0.141786 0.257894 O\n0.204924 0.004033 0.897724 O\n0.266375 0.286373 0.665169 F\n0.256678 0.413818 0.037440 F\n0.240324 0.769791 0.153422 F\n0.743498 0.119051 0.498878 F\n0.782506 0.476852 0.581352 F\n0.762409 0.836789 0.717241 F\n0.734748 0.962710 0.095888 F\n0.755379 0.331449 0.217598 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.622832394805122,
"density_atomic": 0.0928640179357035,
"volume": 258.4424035649302,
"volume_molar": 6.484902219253065,
"formula_full": "Mn8 O8 F8",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.22987700795977,
"spacegroup": 1
},
{
"id": "jvasp-42450",
"created_at": "2022-09-04T14:35:45.339216Z",
"updated_at": "2022-09-04T14:35:45.339227Z",
"structure_string": "Li1 V2 O3 F3\n1.0\n4.995146 0.024755 -0.001395\n-2.349338 4.413054 0.009643\n-2.317643 -1.485355 4.440587\nLi V O F\n1 2 3 3\ndirect\n0.582990 0.802973 0.343407 Li\n0.994593 0.488324 0.523068 V\n-0.008559 0.019904 -0.011300 V\n0.066350 0.832759 0.735171 O\n0.898727 0.250736 0.749899 O\n0.899037 0.145993 0.254287 O\n0.154009 0.764898 0.264266 F\n0.501495 0.387234 0.237914 F\n0.500311 0.636764 0.755638 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.6156855921133575,
"density_atomic": 0.09165180171756108,
"volume": 98.19774223026039,
"volume_molar": 6.570673622498049,
"formula_full": "Li1 V2 O3 F3",
"formula_reduced": "LiV2(OF)3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.825598860833333,
"spacegroup": 1
},
{
"id": "jvasp-42754",
"created_at": "2022-09-04T14:35:45.510748Z",
"updated_at": "2022-09-04T14:35:45.510774Z",
"structure_string": "Fe8 O14 F2\n1.0\n5.224155 0.007720 -0.035008\n1.535105 4.984751 -0.039975\n0.555257 0.406012 8.374707\nFe O F\n8 14 2\ndirect\n0.111283 0.128381 0.383549 Fe\n0.373071 0.390858 0.118322 Fe\n0.493014 0.500636 0.497486 Fe\n0.260798 0.261690 0.751345 Fe\n0.773985 0.723718 0.248132 Fe\n0.628178 0.629602 0.876204 Fe\n0.860131 0.861564 0.614748 Fe\n-0.001313 0.007206 0.011669 Fe\n0.697473 0.306645 0.998097 O\n0.945086 0.553403 0.747850 O\n0.301459 0.703604 0.999408 O\n0.799684 0.196311 0.504040 O\n0.552526 0.948134 0.748946 O\n0.973364 0.971701 0.227403 O\n0.718738 0.718144 0.467976 O\n0.531296 0.524060 0.274444 O\n0.472541 0.478558 0.721819 O\n0.781845 0.776896 0.029496 O\n0.276288 0.275994 0.527890 O\n0.188298 0.802465 0.501748 O\n0.064691 0.436754 0.250632 O\n0.224441 0.228717 0.972247 O\n0.449082 0.050297 0.249648 F\n0.024032 0.024654 0.776891 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.395003039481994,
"density_atomic": 0.11001749254512125,
"volume": 218.14712774113562,
"volume_molar": 5.473802956861749,
"formula_full": "Fe8 O14 F2",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.971154731875,
"spacegroup": 1
},
{
"id": "jvasp-52810",
"created_at": "2022-09-04T14:35:45.976240Z",
"updated_at": "2022-09-04T14:35:45.976274Z",
"structure_string": "K1 Mn4 O8\n1.0\n4.573443 -0.111721 0.116798\n2.109785 4.850767 0.074347\n0.892841 0.112165 6.835543\nK Mn O\n1 4 8\ndirect\n0.868273 0.432131 0.425243 K\n0.041580 0.888888 0.865009 Mn\n0.503355 0.974594 0.678592 Mn\n0.752943 0.405255 0.973328 Mn\n0.478986 0.041842 0.164873 Mn\n0.082604 0.074332 0.101672 O\n0.479197 -0.029471 0.423476 O\n0.462843 0.399199 0.188198 O\n0.088619 0.217809 0.746898 O\n0.935147 0.815050 0.639184 O\n0.601284 0.126123 0.895994 O\n0.847568 0.682542 0.057859 O\n0.471048 0.663620 0.808229 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 4.205881032209802,
"density_atomic": 0.08511644717318498,
"volume": 152.73193879379295,
"volume_molar": 7.075178722799429,
"formula_full": "K1 Mn4 O8",
"formula_reduced": "KMn4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2107165358090186,
"spacegroup": 1
},
{
"id": "jvasp-42221",
"created_at": "2022-09-04T14:35:46.011177Z",
"updated_at": "2022-09-04T14:35:46.011206Z",
"structure_string": "V8 O12 F4\n1.0\n-4.640179 0.011848 0.020254\n-0.003733 -5.833981 -0.008188\n0.309480 2.888560 9.294926\nV O F\n8 12 4\ndirect\n0.541883 0.855864 0.232766 V\n0.487531 0.139431 0.745128 V\n0.463744 0.395257 0.270057 V\n0.469504 0.609355 0.751289 V\n0.984288 0.238563 0.494097 V\n0.013913 0.503009 0.991225 V\n0.045260 -0.006066 0.004740 V\n0.998209 0.764598 0.507246 V\n0.792343 0.052658 0.602153 O\n0.809788 0.798329 0.096174 O\n0.702141 0.677276 0.353067 O\n0.702414 0.427644 0.848457 O\n0.688445 0.172390 0.345586 O\n0.284338 0.322128 0.645261 O\n0.306281 0.826852 0.654923 O\n0.309315 0.079133 0.156370 O\n0.199000 0.197525 0.901991 O\n0.209170 0.700914 0.898904 O\n0.186429 0.457841 0.406777 O\n0.301091 0.573694 0.149489 O\n0.790434 0.549623 0.601979 F\n0.205107 0.945177 0.394328 F\n0.703717 0.922296 0.850245 F\n0.805650 0.296499 0.097745 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.459299592024427,
"density_atomic": 0.09540949647421494,
"volume": 251.5472870825407,
"volume_molar": 6.311888210863292,
"formula_full": "V8 O12 F4",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4783131970833336,
"spacegroup": 1
},
{
"id": "jvasp-98409",
"created_at": "2022-09-04T14:35:46.195832Z",
"updated_at": "2022-09-04T14:35:46.195849Z",
"structure_string": "H16 Pt2 O12\n1.0\n4.172300 3.641201 -0.274649\n-4.168142 3.643803 0.237419\n0.023327 -0.025676 7.329792\nH Pt O\n16 2 12\ndirect\n0.028843 0.025707 0.525787 H\n0.275694 0.121931 0.256949 H\n0.895105 0.376167 0.152626 H\n0.174142 0.527799 0.160208 H\n0.608335 0.116676 0.664657 H\n0.493045 0.832138 0.673872 H\n0.121039 0.591474 0.830443 H\n0.777534 0.400148 0.897273 H\n0.583967 0.226429 0.389038 H\n0.459715 0.547352 0.007183 H\n0.535510 0.473469 0.502143 H\n0.839315 0.748081 0.001552 H\n0.870943 0.832013 0.297405 H\n0.063565 0.051380 -0.020661 H\n0.157811 0.156851 0.727630 H\n0.381125 0.782534 0.412931 H\n0.009652 0.499355 0.502454 Pt\n0.510769 0.007228 0.005847 Pt\n0.602584 -0.035931 0.743404 O\n0.960720 0.573990 0.760263 O\n0.684465 0.354984 0.011796 O\n0.359676 0.656013 0.514864 O\n0.334393 0.661352 0.011438 O\n0.207007 0.146900 0.919309 O\n0.833407 0.885733 0.080620 O\n0.886382 0.815392 0.434789 O\n0.137402 0.178073 0.581608 O\n0.055631 0.405005 0.235962 O\n0.651117 0.338295 0.497808 O\n0.427507 0.046218 0.266541 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"H",
"Pt",
"O"
],
"chemical_system": "H-O-Pt",
"density": 4.4606849258495105,
"density_atomic": 0.13469873891516407,
"volume": 222.7192343567121,
"volume_molar": 4.4708219308518276,
"formula_full": "H16 Pt2 O12",
"formula_reduced": "H8PtO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.059135493333333,
"spacegroup": 1
},
{
"id": "jvasp-42594",
"created_at": "2022-09-04T14:35:46.270193Z",
"updated_at": "2022-09-04T14:35:46.270218Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.658983 -0.017138 0.008153\n0.226990 5.713715 0.001745\n0.227254 0.375660 7.857675\nMn O F\n6 4 8\ndirect\n0.529034 0.511219 0.001062 Mn\n0.504312 0.829692 0.660076 Mn\n0.457806 0.191689 0.351832 Mn\n0.004704 0.338934 0.674570 Mn\n0.002754 0.648278 0.307234 Mn\n0.985053 0.988943 0.007135 Mn\n0.310087 0.472373 0.220400 O\n0.298904 0.123554 0.572981 O\n0.812618 0.700768 0.098495 O\n0.701093 0.546462 0.768214 O\n0.208878 0.972890 0.236049 F\n0.797368 0.356151 0.439140 F\n0.790181 0.050210 0.772503 F\n0.698671 0.190831 0.122846 F\n0.710401 0.854001 0.426128 F\n0.288122 0.805305 0.887490 F\n0.193935 0.625023 0.543371 F\n0.206065 0.293659 0.910486 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.331053499795128,
"density_atomic": 0.08604629408929206,
"volume": 209.18971805248253,
"volume_molar": 6.998721820315349,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.9842422060153255,
"spacegroup": 1
},
{
"id": "jvasp-3306",
"created_at": "2022-09-04T14:35:47.371076Z",
"updated_at": "2022-09-04T14:35:47.371111Z",
"structure_string": "Si4 P4 Ru1\n1.0\n4.995881 0.004677 -0.000908\n-1.882224 -5.381032 -0.002553\n-2.309013 0.293744 -5.784150\nSi P Ru\n4 4 1\ndirect\n0.670610 0.224481 0.774033 Si\n0.237428 0.655832 0.567814 Si\n0.358537 0.405449 0.119002 Si\n0.844235 0.027844 0.310516 Si\n0.160070 0.983570 0.681091 P\n0.621624 0.588788 0.877532 P\n0.766715 0.357871 0.436428 P\n0.341226 0.772490 0.241186 P\n0.999458 0.001873 0.000896 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Si",
"P",
"Ru"
],
"chemical_system": "P-Ru-Si",
"density": 3.602932118254882,
"density_atomic": 0.05789273616102623,
"volume": 155.45991771691143,
"volume_molar": 10.40223896699176,
"formula_full": "Si4 P4 Ru1",
"formula_reduced": "Si4P4Ru",
"formula_anonymous": "AB4C4",
"energy_above_hull": 3.7644841,
"spacegroup": 1
}
]
}