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=-density&page=4358",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4356",
"results": [
{
"id": "jvasp-48295",
"created_at": "2022-09-04T14:36:31.792529Z",
"updated_at": "2022-09-04T14:36:31.792549Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n4.660981 4.100991 -0.018650\n-4.660981 4.100991 0.018650\n-2.703889 0.000000 5.875068\nLi Mn P H O\n1 1 3 1 10\ndirect\n-0.110124 -0.110124 0.500000 Li\n0.679373 0.679373 -0.000000 Mn\n0.202683 0.560661 0.088634 P\n0.580768 0.580768 0.500000 P\n0.560661 0.202683 0.911366 P\n0.230922 0.230922 0.000000 H\n0.357236 0.673249 0.937732 O\n0.699550 0.990655 -0.001285 O\n0.618939 0.754574 0.628206 O\n0.326187 0.595520 0.339255 O\n0.305865 0.166869 0.877747 O\n0.166869 0.305865 0.122253 O\n0.595520 0.326187 0.660745 O\n0.754574 0.618939 0.371794 O\n0.990655 0.699550 0.001285 O\n0.673249 0.357236 0.062268 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 2.3391377904379076,
"density_atomic": 0.07136930075297902,
"volume": 224.186027202069,
"volume_molar": 8.437998826475303,
"formula_full": "Li1 Mn1 P3 H1 O10",
"formula_reduced": "LiMnP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 3.0363817963362068,
"spacegroup": 5
},
{
"id": "jvasp-112083",
"created_at": "2022-09-04T14:38:44.273990Z",
"updated_at": "2022-09-04T14:38:44.274020Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.029751 0.082129 -0.016313\n0.697688 4.746522 0.108260\n-0.082229 0.141040 6.760412\nZn H C O\n1 4 4 4\ndirect\n0.765733 0.013833 0.733807 Zn\n0.302550 0.032122 0.147573 H\n0.896329 0.014763 0.236826 H\n0.225911 0.548398 0.223347 H\n0.818346 0.534459 0.305503 H\n0.265353 0.064757 0.457265 C\n0.111050 0.124049 0.251715 C\n0.008691 0.439622 0.202660 C\n0.881534 0.515475 0.991695 C\n0.173791 0.877481 0.575302 O\n0.501507 0.198837 0.505127 O\n0.728620 0.772760 0.963526 O\n-0.061001 0.342906 0.855466 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.338801778033629,
"density_atomic": 0.10089185884915748,
"volume": 128.85083244859413,
"volume_molar": 5.968906538835457,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.9589972615384617,
"spacegroup": 1
},
{
"id": "jvasp-114031",
"created_at": "2022-09-04T14:38:49.820903Z",
"updated_at": "2022-09-04T14:38:49.820930Z",
"structure_string": "S2 F1\n1.0\n4.080779 0.000000 0.121321\n0.000000 2.985681 0.000000\n0.132560 0.000000 4.848391\nS F\n2 1\ndirect\n-0.076733 0.000000 -0.107427 S\n-0.039733 0.000000 0.505672 S\n0.516467 0.000000 0.001754 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"S",
"F"
],
"chemical_system": "F-S",
"density": 2.3386626353257047,
"density_atomic": 0.050826510709221666,
"volume": 59.024315423952515,
"volume_molar": 11.848424524856037,
"formula_full": "S2 F1",
"formula_reduced": "S2F",
"formula_anonymous": "AB2",
"energy_above_hull": 0.959265,
"spacegroup": 6
},
{
"id": "jvasp-91883",
"created_at": "2022-09-04T14:35:42.066761Z",
"updated_at": "2022-09-04T14:35:42.066798Z",
"structure_string": "Mg7 Cu1\n1.0\n6.222183 0.000000 -0.000000\n-3.111092 5.388569 0.000000\n0.000000 0.000000 4.949570\nMg Cu\n7 1\ndirect\n0.165710 0.832854 0.250000 Mg\n0.667146 0.334291 0.250000 Mg\n0.667146 0.832854 0.250000 Mg\n0.327437 0.172563 0.750000 Mg\n0.327438 0.654876 0.750000 Mg\n0.845124 0.172563 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg",
"density": 2.3382384671093512,
"density_atomic": 0.04820657626163978,
"volume": 165.95246168448543,
"volume_molar": 12.492363546655975,
"formula_full": "Mg7 Cu1",
"formula_reduced": "Mg7Cu",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-40479",
"created_at": "2022-09-04T14:37:39.623300Z",
"updated_at": "2022-09-04T14:37:39.623320Z",
"structure_string": "Li6 Cu1 S4\n1.0\n-1.780262 6.493707 3.585377\n1.780262 -6.493707 3.585377\n3.560525 -0.000000 -0.000000\nLi Cu S\n6 1 4\ndirect\n0.408543 0.172618 0.117963 Li\n0.821409 0.107972 0.356719 Li\n0.394036 0.767139 0.313448 Li\n0.767139 0.394036 0.686550 Li\n0.107972 0.821409 0.643280 Li\n0.172618 0.408543 0.882036 Li\n0.721324 0.721324 -0.000000 Cu\n0.029552 0.029552 0.000000 S\n0.512316 0.017288 0.747513 S\n0.017288 0.512316 0.252486 S\n0.528986 0.528986 0.499999 S\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 2.3381649390392174,
"density_atomic": 0.06634697593784887,
"volume": 165.79504709158635,
"volume_molar": 9.076737371785105,
"formula_full": "Li6 Cu1 S4",
"formula_reduced": "Li6CuS4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.1390145863636365,
"spacegroup": 44
},
{
"id": "jvasp-14906",
"created_at": "2022-09-04T14:36:53.586065Z",
"updated_at": "2022-09-04T14:36:53.586082Z",
"structure_string": "Ca1 Al2 Si2\n1.0\n2.085112 -3.611520 0.000000\n2.085112 3.611520 -0.000000\n-0.000000 0.000000 7.083326\nCa Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.368119 Al\n0.666666 0.333332 0.631882 Al\n0.333332 0.666666 0.737730 Si\n0.666666 0.333332 0.262270 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Si"
],
"chemical_system": "Al-Ca-Si",
"density": 2.3381227713966357,
"density_atomic": 0.04686874954012606,
"volume": 106.68089183218588,
"volume_molar": 12.848946940315152,
"formula_full": "Ca1 Al2 Si2",
"formula_reduced": "Ca(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.885548644,
"spacegroup": 164
},
{
"id": "jvasp-99690",
"created_at": "2022-09-04T14:36:38.434467Z",
"updated_at": "2022-09-04T14:36:38.434486Z",
"structure_string": "Na3 Ga1 Cl6\n1.0\n6.120340 -0.000000 3.533580\n2.040114 5.770312 3.533580\n-0.000000 -0.000000 7.067160\nNa Ga Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.763370 0.236630 0.236630 Cl\n0.236630 0.236630 0.763370 Cl\n0.236630 0.763370 0.763370 Cl\n0.236630 0.763370 0.236630 Cl\n0.763370 0.236630 0.763370 Cl\n0.763370 0.763370 0.236630 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-Na",
"density": 2.3379963298073223,
"density_atomic": 0.040066391580463705,
"volume": 249.5857402061627,
"volume_molar": 15.030404592103034,
"formula_full": "Na3 Ga1 Cl6",
"formula_reduced": "Na3GaCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-68574",
"created_at": "2022-09-04T14:35:50.485643Z",
"updated_at": "2022-09-04T14:35:50.485664Z",
"structure_string": "Na2 Mn1 Be1\n1.0\n2.976832 0.000000 0.000000\n0.000000 2.976832 -0.000000\n0.000000 -0.000000 8.811322\nNa Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.949198 Na\n0.500000 0.500000 0.311535 Na\n0.500000 0.500000 0.672618 Mn\n0.000000 0.000000 0.566647 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mn",
"Be"
],
"chemical_system": "Be-Mn-Na",
"density": 2.3378394116862617,
"density_atomic": 0.051228338183369776,
"volume": 78.08178328334917,
"volume_molar": 11.755487243103591,
"formula_full": "Na2 Mn1 Be1",
"formula_reduced": "Na2MnBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2683003353448274,
"spacegroup": 99
},
{
"id": "jvasp-27529",
"created_at": "2022-09-04T14:36:41.185757Z",
"updated_at": "2022-09-04T14:36:41.185784Z",
"structure_string": "Na4 Al4 Si4 O16\n1.0\n7.390373 0.000000 0.000000\n0.000000 7.390373 -0.000000\n-0.000000 -0.000000 7.390373\nNa Al Si O\n4 4 4 16\ndirect\n0.230396 0.269604 0.730396 Na\n0.269604 0.730396 0.230396 Na\n0.730396 0.230396 0.269604 Na\n0.769604 0.769604 0.769604 Na\n0.714680 0.785319 0.214681 Al\n0.785319 0.214681 0.714680 Al\n0.214681 0.714680 0.785319 Al\n0.285319 0.285319 0.285319 Al\n0.022975 0.022975 0.022975 Si\n0.477025 0.977025 0.522975 Si\n0.522975 0.477025 0.977025 Si\n0.977025 0.522975 0.477025 Si\n0.350642 0.850642 0.649358 O\n0.149358 0.149358 0.149358 O\n0.628291 0.666430 0.025848 O\n0.025848 0.628291 0.666430 O\n0.666430 0.025848 0.628291 O\n0.833570 0.974152 0.128291 O\n0.525848 0.871709 0.333570 O\n0.371709 0.166430 0.474152 O\n0.474152 0.371709 0.166430 O\n0.974152 0.128291 0.833570 O\n0.166430 0.474152 0.371709 O\n0.128291 0.833570 0.974152 O\n0.649358 0.350642 0.850642 O\n0.871709 0.333570 0.525848 O\n0.333570 0.525848 0.871709 O\n0.850642 0.649358 0.350642 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Na-O-Si",
"density": 2.3375705559543616,
"density_atomic": 0.06936796539817007,
"volume": 403.6445330244419,
"volume_molar": 8.681443553134493,
"formula_full": "Na4 Al4 Si4 O16",
"formula_reduced": "NaAlSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.827027771428572,
"spacegroup": 198
},
{
"id": "jvasp-112065",
"created_at": "2022-09-04T14:38:44.120785Z",
"updated_at": "2022-09-04T14:38:44.120814Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n4.034112 0.081353 -0.015545\n0.685990 4.746549 0.112427\n-0.076956 0.141706 6.756257\nZn H C O\n1 4 4 4\ndirect\n0.101517 0.626775 0.714418 Zn\n0.045747 0.106436 0.142364 H\n0.639186 0.092161 0.225813 H\n0.969363 0.626194 0.211500 H\n0.563556 0.608220 0.300904 H\n0.984819 0.125304 0.456524 C\n0.856540 0.201088 0.245722 C\n0.754769 0.516658 0.196668 C\n0.600952 0.575993 0.991013 C\n0.138093 0.868380 0.484459 O\n0.927981 0.297615 0.592883 O\n0.693396 0.762894 0.872595 O\n0.364318 0.442179 0.943437 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.337540766970893,
"density_atomic": 0.10083746101547028,
"volume": 128.9203423914607,
"volume_molar": 5.972126528529011,
"formula_full": "Zn1 H4 C4 O4",
"formula_reduced": "ZnH4(CO)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.9589926461538463,
"spacegroup": 1
},
{
"id": "jvasp-1603",
"created_at": "2022-09-04T14:36:53.611696Z",
"updated_at": "2022-09-04T14:36:53.611735Z",
"structure_string": "K2 Se1\n1.0\n4.681044 0.000000 2.702602\n1.560348 4.413330 2.702602\n-0.000000 -0.000000 5.405203\nK Se\n2 1\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 2.3370100882266485,
"density_atomic": 0.02686582118798288,
"volume": 111.66604508414967,
"volume_molar": 22.41562138697518,
"formula_full": "K2 Se1",
"formula_reduced": "K2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0055366666666666,
"spacegroup": 225
},
{
"id": "jvasp-42298",
"created_at": "2022-09-04T14:35:53.604527Z",
"updated_at": "2022-09-04T14:35:53.604556Z",
"structure_string": "Li6 Fe1 O3 F3\n1.0\n4.092048 2.362545 2.480597\n-4.092048 2.362545 2.480597\n0.000000 -4.725090 2.480597\nLi Fe O F\n6 1 3 3\ndirect\n0.999430 0.661452 0.358420 Li\n0.999430 0.358421 0.661451 Li\n0.358421 0.661452 0.999429 Li\n0.661452 0.358421 0.999429 Li\n0.358421 0.999430 0.661451 Li\n0.661452 0.999430 0.358420 Li\n0.928498 0.928498 0.928496 Fe\n0.105761 0.729286 0.729285 O\n0.729286 0.729286 0.105760 O\n0.729286 0.105761 0.729285 O\n0.288452 0.891675 0.288451 F\n0.288452 0.288452 0.891674 F\n0.891675 0.288452 0.288451 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.3367508766308642,
"density_atomic": 0.09034727934176609,
"volume": 143.8892249408368,
"volume_molar": 6.665547434161708,
"formula_full": "Li6 Fe1 O3 F3",
"formula_reduced": "Li6Fe(OF)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 1.1784043728846156,
"spacegroup": 160
}
]
}