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=spacegroup&page=424",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=422",
"results": [
{
"id": "jvasp-94854",
"created_at": "2022-09-04T14:36:30.812746Z",
"updated_at": "2022-09-04T14:36:30.812766Z",
"structure_string": "V2 Co1 S4\n1.0\n0.000000 3.244027 0.000000\n0.034069 0.000000 5.802516\n5.380083 -1.622014 -2.657055\nV Co S\n2 1 4\ndirect\n0.739816 0.689417 0.479630 V\n0.260186 0.310584 0.520369 V\n0.000000 0.000000 0.000000 Co\n0.634417 0.976967 0.268830 S\n0.365585 0.023034 0.731169 S\n0.895468 0.560003 0.790933 S\n0.104534 0.439998 0.209067 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Co",
"S"
],
"chemical_system": "Co-S-V",
"density": 4.726222231293674,
"density_atomic": 0.06892087010073362,
"volume": 101.56575199600519,
"volume_molar": 8.737760784502774,
"formula_full": "V2 Co1 S4",
"formula_reduced": "V2CoS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.060622757142857,
"spacegroup": 12
},
{
"id": "jvasp-51414",
"created_at": "2022-09-04T14:36:30.835920Z",
"updated_at": "2022-09-04T14:36:30.835939Z",
"structure_string": "Ti1 F3\n1.0\n2.905245 3.584204 3.697488\n-0.661815 2.423004 2.453753\n-1.493611 -4.181385 0.499545\nTi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500000 0.500001 F\n-0.000001 0.499999 0.500000 F\n0.499999 0.500001 0.000001 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"F"
],
"chemical_system": "F-Ti",
"density": 3.8706275062456177,
"density_atomic": 0.08891463862571189,
"volume": 44.9869679709107,
"volume_molar": 6.772946337160896,
"formula_full": "Ti1 F3",
"formula_reduced": "TiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1628149999999999,
"spacegroup": 12
},
{
"id": "jvasp-94857",
"created_at": "2022-09-04T14:36:30.889729Z",
"updated_at": "2022-09-04T14:36:30.889757Z",
"structure_string": "Rb2 Te1 Se4\n1.0\n-0.014340 0.000000 -5.350807\n-4.922354 -4.310929 -2.464384\n-4.922354 4.310929 -2.464384\nRb Te Se\n2 1 4\ndirect\n0.336659 0.321292 0.321292 Rb\n0.663341 0.678707 0.678707 Rb\n0.000000 0.000000 0.000000 Te\n0.258465 0.325299 0.846594 Se\n0.258465 0.846594 0.325299 Se\n0.741535 0.674700 0.153406 Se\n0.741535 0.153406 0.674700 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Se"
],
"chemical_system": "Rb-Se-Te",
"density": 4.49855628220487,
"density_atomic": 0.030866553636419547,
"volume": 226.78268790399318,
"volume_molar": 19.510246692699948,
"formula_full": "Rb2 Te1 Se4",
"formula_reduced": "Rb2TeSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6522944619047619,
"spacegroup": 12
},
{
"id": "jvasp-94898",
"created_at": "2022-09-04T14:36:30.963436Z",
"updated_at": "2022-09-04T14:36:30.963463Z",
"structure_string": "V2 Cr1 S4\n1.0\n0.000000 3.173111 0.000000\n0.028116 0.000000 5.830520\n5.568125 -1.586556 -2.696496\nV Cr S\n2 1 4\ndirect\n0.740760 0.684535 0.481524 V\n0.259238 0.315464 0.518476 V\n0.000000 0.000000 0.000000 Cr\n0.636476 0.973968 0.272953 S\n0.363522 0.026032 0.727047 S\n0.895059 0.562665 0.790121 S\n0.104940 0.437334 0.209879 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Cr",
"S"
],
"chemical_system": "Cr-S-V",
"density": 4.537303512955522,
"density_atomic": 0.0677927883966183,
"volume": 103.25582064934181,
"volume_molar": 8.883158374852156,
"formula_full": "V2 Cr1 S4",
"formula_reduced": "V2CrS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.3015165428571427,
"spacegroup": 12
},
{
"id": "jvasp-100520",
"created_at": "2022-09-04T14:36:31.033271Z",
"updated_at": "2022-09-04T14:36:31.033296Z",
"structure_string": "Er4 Ge4 Ru2\n1.0\n5.156513 0.010873 2.504291\n3.394395 3.881729 2.504291\n-0.009046 -0.004118 10.094790\nEr Ge Ru\n4 4 2\ndirect\n0.000819 0.000819 0.327129 Er\n-0.000819 -0.000819 0.672872 Er\n0.816557 0.816558 0.112178 Er\n0.183441 0.183441 0.887822 Er\n0.643787 0.643787 0.434427 Ge\n0.356211 0.356212 0.565573 Ge\n0.517148 0.517148 0.122969 Ge\n0.482850 0.482851 0.877031 Ge\n0.727899 0.727899 0.631417 Ru\n0.272100 0.272100 0.368583 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Ru"
],
"chemical_system": "Er-Ge-Ru",
"density": 9.559860504801486,
"density_atomic": 0.04955585918468091,
"volume": 201.79248558142802,
"volume_molar": 12.152227524816299,
"formula_full": "Er4 Ge4 Ru2",
"formula_reduced": "Er2Ge2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.72284848,
"spacegroup": 12
},
{
"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-8095",
"created_at": "2022-09-04T14:36:33.233433Z",
"updated_at": "2022-09-04T14:36:33.233455Z",
"structure_string": "Ni3 Se4\n1.0\n3.516348 0.000000 -1.052144\n-0.918441 5.320303 -3.069503\n-0.010544 -0.042955 6.366792\nNi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.260380 0.241081 0.520759 Ni\n0.739622 0.758919 0.479242 Ni\n0.118445 0.780072 0.236889 Se\n0.881557 0.219929 0.763112 Se\n0.634532 0.293796 0.269064 Se\n0.365470 0.706204 0.730937 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ni",
"Se"
],
"chemical_system": "Ni-Se",
"density": 6.890596070939327,
"density_atomic": 0.0590488002559924,
"volume": 118.54601566252187,
"volume_molar": 10.198582755098162,
"formula_full": "Ni3 Se4",
"formula_reduced": "Ni3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.3727300952380954,
"spacegroup": 12
},
{
"id": "jvasp-7889",
"created_at": "2022-09-04T14:36:31.487621Z",
"updated_at": "2022-09-04T14:36:31.487653Z",
"structure_string": "V2 Co1 O6\n1.0\n-3.457264 -0.000489 0.000313\n1.727962 4.679071 0.109315\n-0.000067 -2.207249 -6.293384\nV Co O\n2 1 6\ndirect\n0.802811 0.605641 0.336579 V\n0.197189 0.394358 0.663420 V\n0.000000 0.000000 0.000000 Co\n0.687587 0.375162 0.560373 O\n0.041342 0.082691 0.740063 O\n0.958658 0.917308 0.259936 O\n0.312412 0.624837 0.439626 O\n0.353412 0.706738 0.892090 O\n0.646588 0.293261 0.107909 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 4.223672245022975,
"density_atomic": 0.08913890657575106,
"volume": 100.9660129985072,
"volume_molar": 6.755906025033333,
"formula_full": "V2 Co1 O6",
"formula_reduced": "V2CoO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.2456611444444445,
"spacegroup": 12
},
{
"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-49874",
"created_at": "2022-09-04T14:36:34.462036Z",
"updated_at": "2022-09-04T14:36:34.462053Z",
"structure_string": "Na4 Ti3 O8\n1.0\n3.572667 1.885213 -5.033260\n-2.933383 5.334876 0.036636\n0.000000 3.489509 5.042318\nNa Ti O\n4 3 8\ndirect\n0.125000 0.625000 0.750001 Na\n0.125000 0.125000 0.250000 Na\n0.125000 0.125000 0.750000 Na\n0.625000 0.124999 0.750001 Na\n0.625000 0.624999 0.750001 Ti\n0.625000 0.624999 0.250001 Ti\n0.625000 0.124999 0.250000 Ti\n0.423607 0.857851 0.282879 O\n0.430090 0.823393 0.803350 O\n0.814413 0.881724 0.244114 O\n0.814413 0.881724 0.688577 O\n0.435588 0.368274 0.255889 O\n0.435588 0.368274 0.811426 O\n0.819911 0.426606 0.696653 O\n0.826394 0.392148 0.217123 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 3.4486456075235856,
"density_atomic": 0.0856880532097933,
"volume": 175.0535744262381,
"volume_molar": 7.0279817715729465,
"formula_full": "Na4 Ti3 O8",
"formula_reduced": "Na4Ti3O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.133723266666667,
"spacegroup": 12
},
{
"id": "jvasp-99583",
"created_at": "2022-09-04T14:36:32.261468Z",
"updated_at": "2022-09-04T14:36:32.261490Z",
"structure_string": "K4 Na1 Cl5\n1.0\n6.624908 0.003033 3.555505\n5.212583 4.088812 3.555505\n0.002825 0.000976 10.646271\nK Na Cl\n4 1 5\ndirect\n0.604078 0.604078 0.599451 K\n0.196501 0.196501 0.192983 K\n0.803499 0.803499 0.807017 K\n0.395922 0.395922 0.400549 K\n0.000000 0.000000 0.000000 Na\n-0.000001 0.000000 0.500000 Cl\n0.589216 0.589215 0.091696 Cl\n0.194971 0.194972 0.715215 Cl\n0.805028 0.805027 0.284784 Cl\n0.410783 0.410784 0.908303 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Na",
"Cl"
],
"chemical_system": "Cl-K-Na",
"density": 2.0551196812943267,
"density_atomic": 0.03470150139551562,
"volume": 288.1719694494911,
"volume_molar": 17.35412163111255,
"formula_full": "K4 Na1 Cl5",
"formula_reduced": "K4NaCl5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0020329999999999,
"spacegroup": 12
},
{
"id": "jvasp-100135",
"created_at": "2022-09-04T14:36:32.361615Z",
"updated_at": "2022-09-04T14:36:32.361636Z",
"structure_string": "Cu1 Ni1 O2\n1.0\n2.700107 0.054227 -1.363926\n-1.236788 2.400808 1.363926\n0.005360 -0.003195 5.891430\nCu Ni O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500002 0.500000 Ni\n0.312971 0.687033 0.718771 O\n0.687032 0.312972 0.281228 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 6.6334292232226115,
"density_atomic": 0.10359935351307006,
"volume": 38.61027954672865,
"volume_molar": 5.812913455333724,
"formula_full": "Cu1 Ni1 O2",
"formula_reduced": "CuNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1741924624999998,
"spacegroup": 12
}
]
}