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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3999",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3997",
"results": [
{
"id": "jvasp-22415",
"created_at": "2022-09-04T14:37:11.885496Z",
"updated_at": "2022-09-04T14:37:11.885525Z",
"structure_string": "Sr6 Mg2 Ir2 O12\n1.0\n6.713100 0.009713 -0.271692\n-0.283302 6.707126 -0.271692\n0.009299 0.009713 6.718588\nSr Mg Ir O\n6 2 2 12\ndirect\n0.884453 0.249999 0.615547 Sr\n0.384453 0.115546 0.750000 Sr\n0.750000 0.384453 0.115547 Sr\n0.115547 0.750000 0.384454 Sr\n0.615547 0.884453 0.250001 Sr\n0.250000 0.615547 0.884454 Sr\n0.750000 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.095554 0.288520 0.963869 O\n0.788521 0.595553 0.463869 O\n0.536131 0.211479 0.404447 O\n0.404447 0.536131 0.211480 O\n0.211480 0.404446 0.536132 O\n0.711480 0.036130 0.904447 O\n0.904447 0.711479 0.036132 O\n0.036132 0.904447 0.711480 O\n0.463869 0.788520 0.595554 O\n0.595554 0.463868 0.788521 O\n0.963869 0.095553 0.288521 O\n0.288521 0.963869 0.095554 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mg",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-O-Sr",
"density": 6.315645172436947,
"density_atomic": 0.07271227883241835,
"volume": 302.562378091655,
"volume_molar": 8.282151043401301,
"formula_full": "Sr6 Mg2 Ir2 O12",
"formula_reduced": "Sr3MgIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.590688189090909,
"spacegroup": 167
},
{
"id": "jvasp-112649",
"created_at": "2022-09-04T14:38:41.608260Z",
"updated_at": "2022-09-04T14:38:41.608286Z",
"structure_string": "Re4 Mo2 Se8\n1.0\n6.712725 -0.011420 -0.433256\n-0.454499 6.697412 -0.397443\n-0.008808 0.000710 6.731486\nRe Mo Se\n4 2 8\ndirect\n0.546300 0.413580 0.237839 Re\n0.763746 0.455199 0.587586 Re\n0.584634 0.764333 0.452628 Re\n0.452771 0.586905 0.763947 Re\n0.234667 0.543294 0.412513 Mo\n0.412707 0.235601 0.547785 Mo\n0.369703 0.732913 0.122387 Se\n0.123354 0.369222 0.738139 Se\n0.739598 0.126555 0.369096 Se\n0.630628 0.269152 0.878421 Se\n0.872064 0.631415 0.266754 Se\n0.267874 0.873370 0.628011 Se\n0.214029 0.208040 0.207416 Se\n0.787925 0.790419 0.787483 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Re",
"Mo",
"Se"
],
"chemical_system": "Mo-Re-Se",
"density": 8.607355738529098,
"density_atomic": 0.04626953979845583,
"volume": 302.5748702274153,
"volume_molar": 13.015346135344489,
"formula_full": "Re4 Mo2 Se8",
"formula_reduced": "Re2MoSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 4.079112195238095,
"spacegroup": 1
},
{
"id": "jvasp-39526",
"created_at": "2022-09-04T14:37:41.034927Z",
"updated_at": "2022-09-04T14:37:41.034951Z",
"structure_string": "Si12 N8\n1.0\n6.713527 -0.000000 0.000000\n-0.000000 6.713527 -0.000000\n0.000000 -0.000000 6.713527\nSi N\n12 8\ndirect\n0.821627 0.821627 0.500000 Si\n0.178374 0.500000 0.178374 Si\n0.821627 0.500000 0.821627 Si\n0.821627 0.500000 0.178374 Si\n0.500000 0.821627 0.821627 Si\n0.500000 0.178374 0.178374 Si\n0.178374 0.500000 0.821627 Si\n0.500000 0.821627 0.178374 Si\n0.821627 0.178374 0.500000 Si\n0.178374 0.821627 0.500000 Si\n0.178374 0.178374 0.500000 Si\n0.500000 0.178374 0.821627 Si\n0.721131 0.278869 0.278869 N\n0.721132 0.721132 0.278869 N\n0.278869 0.278869 0.278869 N\n0.278869 0.721132 0.721132 N\n0.721132 0.278869 0.721132 N\n0.278869 0.278869 0.721131 N\n0.721131 0.721131 0.721131 N\n0.278869 0.721131 0.278869 N\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Si",
"N"
],
"chemical_system": "N-Si",
"density": 2.4644510985836416,
"density_atomic": 0.06609639545833812,
"volume": 302.5883614577197,
"volume_molar": 9.111148525180734,
"formula_full": "Si12 N8",
"formula_reduced": "Si3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.086160459999999,
"spacegroup": 221
},
{
"id": "jvasp-64569",
"created_at": "2022-09-04T14:36:14.885264Z",
"updated_at": "2022-09-04T14:36:14.885282Z",
"structure_string": "K1 Ba4 Mn1\n1.0\n-0.000000 5.328633 5.328633\n5.328633 0.000000 5.328633\n5.328633 5.328633 0.000000\nK Ba Mn\n1 4 1\ndirect\n0.250000 0.250000 0.250000 K\n0.119193 0.626936 0.626936 Ba\n0.626936 0.626936 0.626936 Ba\n0.626936 0.119193 0.626936 Ba\n0.626936 0.626936 0.119193 Ba\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ba",
"Mn"
],
"chemical_system": "Ba-K-Mn",
"density": 3.530328832220056,
"density_atomic": 0.019827767816063713,
"volume": 302.6059239577652,
"volume_molar": 30.372257814725305,
"formula_full": "K1 Ba4 Mn1",
"formula_reduced": "KBa4Mn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6102298535632182,
"spacegroup": 216
},
{
"id": "jvasp-119165",
"created_at": "2022-09-04T14:38:53.150753Z",
"updated_at": "2022-09-04T14:38:53.150778Z",
"structure_string": "Na1 Ti6 Se8\n1.0\n9.809399 0.000000 0.000000\n-4.904699 8.495189 0.000000\n-0.000000 -0.000000 3.631415\nNa Ti Se\n1 6 8\ndirect\n0.000000 0.000000 0.499999 Na\n0.128504 0.491887 0.749288 Ti\n0.508113 0.636618 0.749288 Ti\n0.363382 0.871496 0.749288 Ti\n0.871496 0.508113 0.250711 Ti\n0.491887 0.363382 0.250711 Ti\n0.636618 0.128504 0.250711 Ti\n0.666667 0.333333 0.750494 Se\n0.333333 0.666667 0.249505 Se\n0.295646 0.343451 0.751200 Se\n0.656549 0.952195 0.751200 Se\n0.047805 0.704354 0.751200 Se\n0.704354 0.656549 0.248798 Se\n0.343451 0.047805 0.248798 Se\n0.952195 0.295646 0.248798 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Se"
],
"chemical_system": "Na-Se-Ti",
"density": 5.168321826247975,
"density_atomic": 0.04956783272928019,
"volume": 302.61561125587315,
"volume_molar": 12.149292047708725,
"formula_full": "Na1 Ti6 Se8",
"formula_reduced": "Na(Ti3Se4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 2.683742395555556,
"spacegroup": 147
},
{
"id": "jvasp-56518",
"created_at": "2022-09-04T14:37:10.111066Z",
"updated_at": "2022-09-04T14:37:10.111083Z",
"structure_string": "Ta8 Co16\n1.0\n2.375088 -4.113773 -0.000000\n2.375088 4.113773 -0.000000\n-0.000000 -0.000000 15.486246\nTa Co\n8 16\ndirect\n0.333334 0.666667 0.155563 Ta\n0.000000 0.000000 0.907851 Ta\n0.666667 0.333334 0.844437 Ta\n0.000000 0.000000 0.092149 Ta\n0.000000 0.000000 0.407851 Ta\n0.000000 0.000000 0.592149 Ta\n0.666667 0.333334 0.655564 Ta\n0.333334 0.666667 0.344437 Ta\n0.000000 0.500000 0.500000 Co\n0.666667 0.333334 0.373766 Co\n0.500000 0.000000 0.000000 Co\n0.333334 0.666667 0.873766 Co\n0.164478 0.328955 0.750000 Co\n0.500000 0.500000 0.500000 Co\n0.671045 0.835523 0.750000 Co\n0.164478 0.835522 0.750000 Co\n0.835522 0.164478 0.250000 Co\n0.328955 0.164478 0.250000 Co\n0.333334 0.666667 0.626234 Co\n0.666667 0.333334 0.126234 Co\n0.835523 0.671045 0.250000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ta",
"Co"
],
"chemical_system": "Co-Ta",
"density": 13.117293611840473,
"density_atomic": 0.07930764673459287,
"volume": 302.61899057876775,
"volume_molar": 7.593392324643555,
"formula_full": "Ta8 Co16",
"formula_reduced": "TaCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.8512303333333326,
"spacegroup": 194
},
{
"id": "jvasp-21125",
"created_at": "2022-09-04T14:37:05.868421Z",
"updated_at": "2022-09-04T14:37:05.868452Z",
"structure_string": "Sr6 Li2 Ir2 O12\n1.0\n6.714188 -0.006393 -0.257711\n-0.267547 6.708858 -0.257711\n-0.006149 -0.006393 6.719128\nSr Li Ir O\n6 2 2 12\ndirect\n0.890077 0.250001 0.609924 Sr\n0.390076 0.109924 0.750000 Sr\n0.750000 0.390077 0.109924 Sr\n0.109923 0.750000 0.390077 Sr\n0.250000 0.609924 0.890077 Sr\n0.609923 0.890077 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500001 0.500000 Ir\n0.217404 0.414216 0.546590 O\n0.085785 0.282596 0.953410 O\n0.953410 0.085785 0.282596 O\n0.546590 0.217405 0.414215 O\n0.585785 0.453411 0.782596 O\n0.782596 0.585786 0.453410 O\n0.717404 0.046591 0.914216 O\n0.914215 0.717405 0.046590 O\n0.046590 0.914216 0.717405 O\n0.453410 0.782596 0.585785 O\n0.414215 0.546591 0.217405 O\n0.282595 0.953410 0.085785 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ir",
"O"
],
"chemical_system": "Ir-Li-O-Sr",
"density": 6.123754290068519,
"density_atomic": 0.07269690774988935,
"volume": 302.6263520821281,
"volume_molar": 8.283902226926795,
"formula_full": "Sr6 Li2 Ir2 O12",
"formula_reduced": "Sr3LiIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.774757366363636,
"spacegroup": 167
},
{
"id": "jvasp-40662",
"created_at": "2022-09-04T14:37:43.818768Z",
"updated_at": "2022-09-04T14:37:43.818782Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 5.257952 0.091964\n6.102117 0.000000 0.000000\n0.000000 -4.462727 -9.510393\nLi Mn P O\n4 4 4 16\ndirect\n0.094198 0.359091 -0.071753 Li\n0.905802 0.859091 0.571753 Li\n0.094197 0.140910 0.428247 Li\n0.905802 0.640910 0.071753 Li\n0.552588 0.389825 0.331054 Mn\n0.447412 0.889825 0.168947 Mn\n0.552587 0.110176 0.831054 Mn\n0.447411 0.610176 0.668946 Mn\n0.105309 0.651302 0.366310 P\n0.894690 0.151302 0.133690 P\n0.105309 0.848698 0.866310 P\n0.894690 0.348698 0.633690 P\n0.215176 0.437528 0.452658 O\n0.190776 0.839632 0.476106 O\n0.809224 0.339632 0.023894 O\n0.784824 0.937528 0.047343 O\n0.778827 0.646097 0.272224 O\n0.752560 0.165158 0.236924 O\n0.247439 0.834843 0.763076 O\n0.247440 0.665158 0.263076 O\n0.215176 0.062472 0.952657 O\n0.190776 0.660369 -0.023894 O\n0.809223 0.160369 0.523894 O\n0.784823 0.562472 0.547343 O\n0.752559 0.334842 0.736924 O\n0.221172 0.146097 0.227777 O\n0.221172 0.353903 0.727776 O\n0.778827 0.853903 0.772224 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.442534038902779,
"density_atomic": 0.09252125939571026,
"volume": 302.6331481313387,
"volume_molar": 6.508926488174474,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.5483623916256155,
"spacegroup": 14
},
{
"id": "jvasp-33801",
"created_at": "2022-09-04T14:38:08.160555Z",
"updated_at": "2022-09-04T14:38:08.160592Z",
"structure_string": "Sb2 H8 Pt1 O4 F12\n1.0\n4.971778 0.039307 -0.045413\n1.945748 7.615610 -0.041977\n0.925294 2.885888 7.991504\nSb H Pt O F\n2 8 1 4 12\ndirect\n0.352313 0.334544 0.337612 Sb\n0.647687 0.665457 0.662387 Sb\n0.746951 0.750841 0.007058 H\n0.837577 0.709969 0.192560 H\n0.239640 0.860968 0.295940 H\n0.947840 0.009588 0.299601 H\n0.052162 0.990412 0.700399 H\n0.760359 0.139034 0.704059 H\n0.162424 0.290032 0.807440 H\n0.253050 0.249159 0.992941 H\n0.000002 0.000000 0.000001 Pt\n0.242186 0.187769 0.909957 O\n0.888323 0.022346 0.770543 O\n0.757814 0.812232 0.090043 O\n0.111677 0.977654 0.229456 O\n0.368879 0.534096 0.768101 F\n0.218941 0.375850 0.119798 F\n0.631124 0.465906 0.231898 F\n0.596959 0.103863 0.329188 F\n0.104377 0.569117 0.334492 F\n0.518906 0.707907 0.443773 F\n0.069793 0.203813 0.440699 F\n0.930205 0.796186 0.559302 F\n0.481096 0.292093 0.556228 F\n0.895623 0.430885 0.665507 F\n0.403044 0.896136 0.670812 F\n0.781059 0.624151 0.880201 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Sb",
"H",
"Pt",
"O",
"F"
],
"chemical_system": "F-H-O-Pt-Sb",
"density": 4.0528653056981225,
"density_atomic": 0.0892155405771816,
"volume": 302.6378568725022,
"volume_molar": 6.750102864410895,
"formula_full": "Sb2 H8 Pt1 O4 F12",
"formula_reduced": "Sb2H8Pt(OF3)4",
"formula_anonymous": "AB2C4D8E12",
"energy_above_hull": 1.5654163329629631,
"spacegroup": 2
},
{
"id": "jvasp-46760",
"created_at": "2022-09-04T14:38:01.825728Z",
"updated_at": "2022-09-04T14:38:01.825758Z",
"structure_string": "Li4 Ti1 Mn3 P4 O16\n1.0\n0.000000 4.727147 -0.002155\n6.104367 0.000000 0.000000\n0.000000 -0.018212 -10.487832\nLi Ti Mn P O\n4 1 3 4 16\ndirect\n-0.000820 0.252269 0.996785 Li\n-0.000820 0.747732 0.996785 Li\n0.499458 0.748855 0.502437 Li\n0.499458 0.251145 0.502437 Li\n0.026575 0.000000 0.279065 Ti\n0.971645 0.500000 0.718678 Mn\n0.527549 0.500000 0.218813 Mn\n0.472042 0.000000 0.780983 Mn\n0.080918 0.500000 0.409124 P\n0.414060 0.500000 0.909248 P\n0.590580 0.000000 0.092528 P\n0.913566 0.000000 0.590222 P\n0.210857 0.702936 0.337744 O\n0.238135 0.000000 0.591794 O\n0.266594 0.000000 0.095482 O\n0.281052 0.297426 0.839703 O\n0.281052 0.702574 0.839703 O\n0.288570 0.500000 0.046313 O\n0.714603 0.000000 0.955864 O\n0.780438 0.202406 0.659600 O\n0.728302 0.200836 0.163352 O\n0.738714 0.500000 0.907383 O\n0.756691 0.500000 0.408031 O\n0.780438 0.797595 0.659600 O\n0.210857 0.297065 0.337744 O\n0.787821 0.000000 0.452801 O\n0.728302 0.799165 0.163352 O\n0.213374 0.500000 0.544429 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-Ti",
"density": 3.403662430390956,
"density_atomic": 0.09251927521809793,
"volume": 302.6396384320448,
"volume_molar": 6.509066079261713,
"formula_full": "Li4 Ti1 Mn3 P4 O16",
"formula_reduced": "Li4TiMn3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 3.118139573481116,
"spacegroup": 6
},
{
"id": "jvasp-112124",
"created_at": "2022-09-04T14:38:44.399085Z",
"updated_at": "2022-09-04T14:38:44.399111Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n4.062518 -0.188638 -0.299567\n-0.520637 4.482624 -0.154698\n0.203465 1.838311 16.614214\nH Pb C O\n20 1 12 4\ndirect\n0.637015 0.467581 0.376571 H\n0.983112 0.342436 0.470623 H\n0.110358 0.335903 0.924753 H\n0.503271 0.314497 0.973023 H\n0.356719 0.479242 0.790083 H\n0.763625 0.463844 0.830629 H\n0.591171 0.629994 0.651593 H\n-0.000436 0.624779 0.692439 H\n0.814360 0.792333 0.512954 H\n0.220602 0.779353 0.554424 H\n0.033923 -0.041036 0.373182 H\n0.427785 -0.086891 0.417030 H\n0.312941 0.889529 0.883352 H\n0.708485 0.849203 0.927151 H\n0.519826 0.022613 0.745929 H\n0.927077 0.013383 0.787251 H\n0.743004 0.178440 0.608385 H\n0.151493 0.172636 0.649105 H\n0.245977 0.491947 0.327673 H\n0.389129 0.322548 0.511109 H\n0.874374 0.902539 0.150623 Pb\n0.217568 0.577496 0.030152 C\n0.327269 0.471024 0.954012 C\n0.485566 0.725483 0.896817 C\n0.577305 0.615678 0.818187 C\n0.709566 0.874039 0.758777 C\n0.807633 0.771132 0.679906 C\n0.257934 0.079611 0.403831 C\n0.032563 0.929640 0.541729 C\n0.167419 0.188455 0.482753 C\n0.419782 0.333767 0.347036 C\n0.530706 0.227338 0.270990 C\n0.934909 0.031965 0.620706 C\n-0.017529 0.418926 0.067837 O\n0.765426 0.386805 0.233357 O\n0.389447 -0.027910 0.246629 O\n0.360482 0.831932 0.054724 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 2.3893858103010124,
"density_atomic": 0.1222547961096283,
"volume": 302.64661328150567,
"volume_molar": 4.925893258698682,
"formula_full": "H20 Pb1 C12 O4",
"formula_reduced": "H20Pb(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.670607427567568,
"spacegroup": 2
},
{
"id": "jvasp-86294",
"created_at": "2022-09-04T14:36:20.987500Z",
"updated_at": "2022-09-04T14:36:20.987523Z",
"structure_string": "Th4 Pd12\n1.0\n5.931213 0.000000 -0.000000\n-2.965606 5.136581 0.000000\n0.000000 0.000000 9.933872\nTh Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Th\n0.666666 0.333333 0.750000 Th\n0.333332 0.666667 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.174447 0.825552 0.750000 Pd\n0.651103 0.825552 0.750000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.499999 0.500000 0.000000 Pd\n0.825551 0.651103 0.250000 Pd\n0.348896 0.174448 0.250000 Pd\n0.174447 0.348896 0.750000 Pd\n0.499999 0.500000 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.825552 0.174448 0.250000 Pd\n0.500000 -0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Th",
"Pd"
],
"chemical_system": "Pd-Th",
"density": 12.099274552992147,
"density_atomic": 0.05286688981070231,
"volume": 302.6468940633799,
"volume_molar": 11.39113872891551,
"formula_full": "Th4 Pd12",
"formula_reduced": "ThPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8486381750000005,
"spacegroup": 194
}
]
}