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=volume&page=3626",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3624",
"results": [
{
"id": "jvasp-9874",
"created_at": "2022-09-04T14:37:56.509355Z",
"updated_at": "2022-09-04T14:37:56.509379Z",
"structure_string": "Ca4 Al2 Sn2 O10\n1.0\n5.579972 -0.050404 0.131727\n-0.169970 6.009014 0.180175\n-2.421309 -2.754826 7.146242\nCa Al Sn O\n4 2 2 10\ndirect\n0.171085 0.710704 0.280817 Ca\n0.439907 0.890343 0.773690 Ca\n0.881894 0.316893 0.756232 Ca\n0.668047 0.066369 0.272085 Ca\n0.278524 0.337594 0.512362 Al\n0.778205 0.662310 0.486419 Al\n0.509932 0.488546 0.004656 Sn\n0.039488 0.018694 0.001193 Sn\n0.217604 0.379266 0.079476 O\n0.345266 0.806576 0.056019 O\n0.654588 0.929133 0.568030 O\n0.105574 0.100999 0.309131 O\n0.585915 0.414810 0.491291 O\n0.756505 0.671560 0.265012 O\n0.106689 0.596259 0.542539 O\n0.680402 0.192612 0.016249 O\n0.287378 0.266578 0.714082 O\n0.730769 0.646272 0.897204 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Sn",
"O"
],
"chemical_system": "Al-Ca-O-Sn",
"density": 4.157337985679687,
"density_atomic": 0.07367294244952355,
"volume": 244.32307712336265,
"volume_molar": 8.174155340851256,
"formula_full": "Ca4 Al2 Sn2 O10",
"formula_reduced": "Ca2AlSnO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.4414314266666666,
"spacegroup": 1
},
{
"id": "jvasp-64724",
"created_at": "2022-09-04T14:35:47.989652Z",
"updated_at": "2022-09-04T14:35:47.989677Z",
"structure_string": "Ba4 Ga1 Cu1\n1.0\n0.000000 4.961917 4.961917\n4.961917 0.000000 4.961917\n4.961917 4.961917 0.000000\nBa Ga Cu\n4 1 1\ndirect\n0.124271 0.625244 0.625244 Ba\n0.625244 0.625244 0.625244 Ba\n0.625244 0.124271 0.625244 Ba\n0.625244 0.625244 0.124271 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Cu"
],
"chemical_system": "Ba-Cu-Ga",
"density": 4.638977498287351,
"density_atomic": 0.024556856284474893,
"volume": 244.3309489819861,
"volume_molar": 24.52325611323165,
"formula_full": "Ba4 Ga1 Cu1",
"formula_reduced": "Ba4GaCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-91459",
"created_at": "2022-09-04T14:36:31.088393Z",
"updated_at": "2022-09-04T14:36:31.088414Z",
"structure_string": "K2 Ca1 N4 O8\n1.0\n5.322777 -0.465990 0.116324\n2.256520 4.843265 0.116324\n-0.011054 -0.006384 9.106635\nK Ca N O\n2 1 4 8\ndirect\n0.655518 0.655517 0.367722 K\n0.344483 0.344483 0.632277 K\n0.000000 0.000000 0.000000 Ca\n0.558069 0.558068 0.044403 N\n0.301292 0.301291 0.282284 N\n0.698710 0.698709 0.717715 N\n0.441933 0.441932 0.955596 N\n0.427140 0.797899 0.089749 O\n0.797900 0.427139 0.089749 O\n0.572862 0.202101 0.910250 O\n0.532411 0.182851 0.334703 O\n0.817150 0.467589 0.665295 O\n0.182851 0.532411 0.334703 O\n0.202101 0.572861 0.910250 O\n0.467590 0.817149 0.665295 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"K",
"Ca",
"N",
"O"
],
"chemical_system": "Ca-K-N-O",
"density": 2.054325228252624,
"density_atomic": 0.06138723870347068,
"volume": 244.35045975039006,
"volume_molar": 9.81008575591709,
"formula_full": "K2 Ca1 N4 O8",
"formula_reduced": "K2Ca(NO2)4",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.0542544946666665,
"spacegroup": 12
},
{
"id": "jvasp-9557",
"created_at": "2022-09-04T14:37:08.482391Z",
"updated_at": "2022-09-04T14:37:08.482414Z",
"structure_string": "Ca4 Sn4 O10\n1.0\n4.143274 0.000000 0.000000\n0.000000 5.564560 0.000000\n0.000000 -0.000000 10.599151\nCa Sn O\n4 4 10\ndirect\n0.499999 0.141741 0.853019 Ca\n0.499999 0.858259 0.146981 Ca\n0.499999 0.641741 0.646981 Ca\n0.499999 0.358259 0.353019 Ca\n0.000000 0.164523 0.604023 Sn\n0.000000 0.835477 0.395977 Sn\n0.000000 0.335477 0.104023 Sn\n0.000000 0.664523 0.895977 Sn\n0.499999 0.214193 0.624666 O\n0.000000 0.853942 0.722782 O\n0.499999 0.714193 0.875334 O\n0.499999 0.285807 0.124666 O\n0.000000 0.500000 0.500000 O\n0.000000 0.646058 0.222782 O\n0.000000 0.146058 0.277218 O\n0.000000 0.000000 0.000000 O\n0.000000 0.353942 0.777218 O\n0.499999 0.785807 0.375334 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.4031921511435606,
"density_atomic": 0.07365919046032449,
"volume": 244.36869163930677,
"volume_molar": 8.175681435494113,
"formula_full": "Ca4 Sn4 O10",
"formula_reduced": "Ca2Sn2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.3412074925925923,
"spacegroup": 55
},
{
"id": "jvasp-53555",
"created_at": "2022-09-04T14:35:45.207320Z",
"updated_at": "2022-09-04T14:35:45.207342Z",
"structure_string": "Mn1 In2 Te4\n1.0\n5.592783 -0.158568 -2.825715\n-1.273922 5.448072 -2.825715\n0.348644 0.426999 7.617491\nMn In Te\n1 2 4\ndirect\n0.999936 0.999936 -0.000062 Mn\n0.250019 0.750034 0.499995 In\n0.750033 0.250019 0.499995 In\n0.161246 0.624615 0.785819 Te\n0.375385 0.375385 0.214215 Te\n0.624614 0.161246 0.785819 Te\n0.838764 0.838764 0.214210 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"In",
"Te"
],
"chemical_system": "In-Mn-Te",
"density": 5.401906117816606,
"density_atomic": 0.028644617344113596,
"volume": 244.37400981509305,
"volume_molar": 21.02363835988731,
"formula_full": "Mn1 In2 Te4",
"formula_reduced": "Mn(InTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0932340354351393,
"spacegroup": 121
},
{
"id": "jvasp-45914",
"created_at": "2022-09-04T14:38:06.386100Z",
"updated_at": "2022-09-04T14:38:06.386124Z",
"structure_string": "V4 P4 O14\n1.0\n0.000000 4.467606 0.005712\n10.263893 0.000000 0.000000\n0.000000 -0.614904 -5.330168\nV P O\n4 4 14\ndirect\n0.597757 0.156364 0.920990 V\n0.402246 0.656364 0.579011 V\n0.597756 0.343636 0.420990 V\n0.402245 0.843636 0.079010 V\n0.143612 0.388772 0.849963 P\n0.856390 0.888772 0.650038 P\n0.143612 0.111228 0.349962 P\n0.856390 0.611228 0.150038 P\n0.884812 0.202680 0.252538 O\n0.115189 0.702680 0.247463 O\n0.712823 0.545655 0.364938 O\n0.000000 0.000000 0.500000 O\n0.618367 0.825051 0.459124 O\n0.381635 0.174949 0.540877 O\n0.712823 0.954345 0.864938 O\n0.884813 0.297320 0.752538 O\n0.115190 0.797320 0.747463 O\n0.287179 0.045655 0.135063 O\n0.000000 0.500000 0.000000 O\n0.618368 0.674949 0.959124 O\n0.287179 0.454345 0.635063 O\n0.381634 0.325051 0.040877 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.748443653415555,
"density_atomic": 0.09002411550667626,
"volume": 244.37896308315814,
"volume_molar": 6.689475065771009,
"formula_full": "V4 P4 O14",
"formula_reduced": "V2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.273536718181818,
"spacegroup": 14
},
{
"id": "jvasp-41383",
"created_at": "2022-09-04T14:37:53.701710Z",
"updated_at": "2022-09-04T14:37:53.701743Z",
"structure_string": "Mg1 H8 Cl2 O12\n1.0\n2.256071 0.000000 -5.659391\n-5.552464 -3.910122 0.076741\n-5.552464 3.910122 0.076741\nMg H Cl O\n1 8 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.751232 0.247816 0.044580 H\n0.751232 0.044580 0.247816 H\n0.865408 0.617841 0.280744 H\n0.134591 0.719255 0.382158 H\n0.865408 0.280744 0.617841 H\n0.134591 0.382158 0.719255 H\n0.248768 0.955419 0.752184 H\n0.248768 0.752184 0.955419 H\n0.404697 0.301882 0.301882 Cl\n0.595304 0.698117 0.698117 Cl\n0.683265 0.506772 0.810315 O\n0.000001 0.257716 0.742284 O\n0.333694 0.641053 0.641053 O\n0.683265 0.810315 0.506772 O\n0.316734 0.189684 0.493228 O\n0.818237 0.121680 0.121680 O\n0.000001 0.742284 0.257716 O\n0.316734 0.493228 0.189684 O\n0.337258 0.159481 0.159481 O\n0.662743 0.840520 0.840520 O\n0.666307 0.358946 0.358946 O\n0.181762 0.878320 0.878320 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Mg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Mg-O",
"density": 2.00626434743074,
"density_atomic": 0.09411341053319856,
"volume": 244.386000567759,
"volume_molar": 6.398812587793412,
"formula_full": "Mg1 H8 Cl2 O12",
"formula_reduced": "MgH8(ClO6)2",
"formula_anonymous": "AB2C8D12",
"energy_above_hull": 2.670892138478261,
"spacegroup": 12
},
{
"id": "jvasp-27204",
"created_at": "2022-09-04T14:38:31.368139Z",
"updated_at": "2022-09-04T14:38:31.368149Z",
"structure_string": "Zr2 Fe12 P7\n1.0\n4.427001 -7.667790 -0.000000\n4.427001 7.667790 -0.000000\n-0.000000 -0.000000 3.599722\nZr Fe P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.902763 0.120311 0.500000 Fe\n0.879689 0.782453 0.500000 Fe\n0.217547 0.097237 0.500000 Fe\n0.052377 0.615274 0.500000 Fe\n0.384726 0.437104 0.500000 Fe\n0.562896 0.947622 0.500000 Fe\n0.120089 0.844117 0.000000 Fe\n0.155883 0.275972 0.000000 Fe\n0.938145 0.368410 0.000000 Fe\n0.631590 0.569736 0.000000 Fe\n0.430264 0.061854 0.000000 Fe\n0.724028 0.879911 0.000000 Fe\n0.596336 0.710594 0.500000 P\n0.413165 0.298751 0.000000 P\n0.885586 0.586835 0.000000 P\n0.701249 0.114414 0.000000 P\n0.114259 0.403664 0.500000 P\n0.289406 0.885741 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"P"
],
"chemical_system": "Fe-P-Zr",
"density": 7.266282008331945,
"density_atomic": 0.0859291481508249,
"volume": 244.38738718950518,
"volume_molar": 7.0082630743991485,
"formula_full": "Zr2 Fe12 P7",
"formula_reduced": "Zr2Fe12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.230505404761906,
"spacegroup": 174
},
{
"id": "jvasp-91694",
"created_at": "2022-09-04T14:35:48.160259Z",
"updated_at": "2022-09-04T14:35:48.160285Z",
"structure_string": "Na4 Tl4\n1.0\n-2.637287 -4.567526 0.000000\n-2.637287 4.567526 -0.000000\n0.000000 -0.000000 -10.144078\nNa Tl\n4 4\ndirect\n0.666676 0.333325 0.578141 Na\n0.333325 0.666676 0.421859 Na\n0.333325 0.666676 0.078141 Na\n0.666676 0.333325 0.921860 Na\n0.000001 -0.000001 0.750000 Tl\n-0.000001 0.000001 0.250000 Tl\n0.666671 0.333330 0.250000 Tl\n0.333330 0.666671 0.750000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 6.179696058269955,
"density_atomic": 0.032734747037214774,
"volume": 244.38863055532804,
"volume_molar": 18.396784166847777,
"formula_full": "Na4 Tl4",
"formula_reduced": "NaTl",
"formula_anonymous": "AB",
"energy_above_hull": 0.2158812499999999,
"spacegroup": 194
},
{
"id": "jvasp-21245",
"created_at": "2022-09-04T14:36:57.466048Z",
"updated_at": "2022-09-04T14:36:57.466063Z",
"structure_string": "Na4 Nb4 O12\n1.0\n5.554946 -0.031587 -0.000000\n-0.038899 5.554899 0.000000\n-0.000000 -0.000000 7.920584\nNa Nb O\n4 4 12\ndirect\n0.002796 0.997205 0.750000 Na\n0.997205 0.002795 0.250000 Na\n0.512916 0.487084 0.750000 Na\n0.487084 0.512916 0.250000 Na\n0.500000 -0.000000 0.000000 Nb\n-0.000000 0.500000 0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.500000 -0.000000 0.500000 Nb\n0.201280 0.201280 0.500000 O\n0.798721 0.798720 0.000000 O\n0.947279 0.462905 0.750000 O\n0.296162 0.703838 0.956432 O\n0.703839 0.296161 0.456432 O\n0.703839 0.296161 0.043568 O\n0.296162 0.703838 0.543568 O\n0.537095 0.052722 0.750000 O\n0.462906 0.947278 0.250000 O\n0.052722 0.537095 0.250000 O\n0.201280 0.201280 0.000000 O\n0.798721 0.798720 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.454276270362575,
"density_atomic": 0.08183405593652918,
"volume": 244.3970272659109,
"volume_molar": 7.358966497604366,
"formula_full": "Na4 Nb4 O12",
"formula_reduced": "NaNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0369077799999995,
"spacegroup": 63
},
{
"id": "jvasp-49785",
"created_at": "2022-09-04T14:35:43.468239Z",
"updated_at": "2022-09-04T14:35:43.468270Z",
"structure_string": "Na8 Mg2 O6\n1.0\n5.557486 2.938678 0.125143\n-5.557486 2.938678 -0.125143\n-3.224824 0.000000 7.411085\nNa Mg O\n8 2 6\ndirect\n0.524611 0.922097 0.838892 Na\n0.077904 0.475390 0.338893 Na\n0.730837 0.973692 0.537930 Na\n0.972766 0.733699 0.932071 Na\n0.026309 0.269164 0.037930 Na\n0.266302 0.027235 0.432072 Na\n0.876465 0.450993 0.637366 Na\n0.549007 0.123536 0.137366 Na\n0.332150 0.376805 0.752676 Mg\n0.623196 0.667851 0.252676 Mg\n0.318995 0.681596 0.599566 O\n0.318405 0.681006 0.099566 O\n0.638368 0.345112 0.849108 O\n0.654889 0.361633 0.349109 O\n0.986982 0.112057 0.804757 O\n0.887944 0.013019 0.304757 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 2.2317220872413994,
"density_atomic": 0.0654550504807379,
"volume": 244.44255840438893,
"volume_molar": 9.200421840285946,
"formula_full": "Na8 Mg2 O6",
"formula_reduced": "Na4MgO3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.37732175,
"spacegroup": 9
},
{
"id": "jvasp-38857",
"created_at": "2022-09-04T14:37:55.301388Z",
"updated_at": "2022-09-04T14:37:55.301413Z",
"structure_string": "Nd4 Mg2 Ge4\n1.0\n7.463568 -0.000000 0.000000\n-0.000000 7.463568 -0.000000\n0.000000 -0.000000 4.388514\nNd Mg Ge\n4 2 4\ndirect\n0.178628 0.321372 0.500000 Nd\n0.321372 0.821373 0.500000 Nd\n0.678628 0.178628 0.500000 Nd\n0.821373 0.678628 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.121596 0.621596 0.000000 Ge\n0.378404 0.121596 0.000000 Ge\n0.621596 0.878404 0.000000 Ge\n0.878404 0.378404 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg-Nd",
"density": 6.222995955146268,
"density_atomic": 0.04090623640079584,
"volume": 244.46150220276553,
"volume_molar": 14.721815766661043,
"formula_full": "Nd4 Mg2 Ge4",
"formula_reduced": "Nd2MgGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7017287899999998,
"spacegroup": 127
}
]
}